#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y77 n GLY 3 N 0.00 2.43 2.33 7.55 0.00 -1.26 -4.96 105.19 111.27 1y77 n GLY 3 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1y77 n GLY 3 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1y77 n GLN 4 N 0.00 0.00 -0.65 1.61 6.02 -1.26 -4.96 117.38 118.14 1y77 n GLN 4 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1y77 n GLN 4 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1y77 n GLN 4 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1y77 n GLN 5 N 0.00 0.00 -3.29 -1.09 6.02 -1.26 -4.91 117.38 112.86 1y77 n GLN 5 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1y77 n GLN 5 Cb 0.00 -0.27 -0.06 0.00 1.02 0.00 0.00 30.24 30.93 1y77 n GLN 5 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1y77 s TYR 6 N -1.23 3.51 -0.04 1.08 5.04 -1.26 -5.10 117.35 119.34 1y77 s TYR 6 Ca 0.00 1.09 0.02 0.00 -2.44 0.00 0.00 57.07 55.74 1y77 s TYR 6 Cb 0.00 -2.41 0.02 0.00 0.35 0.00 0.00 41.96 39.91 1y77 s TYR 6 CO 0.00 0.30 -0.07 -1.54 -1.34 0.00 0.00 175.55 172.89 1y77 s SER 7 N -2.01 1.18 0.00 4.32 1.04 -1.26 -4.99 113.70 111.98 1y77 s SER 7 Ca 0.45 -0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.76 1y77 s SER 7 Cb -0.13 -0.50 0.39 0.00 0.10 0.00 0.00 66.02 65.87 1y77 s SER 7 CO 0.20 -0.00 0.80 -1.54 0.98 0.00 0.00 173.24 173.67 1y77 n SER 8 N 3.78 0.00 -4.71 7.02 3.41 -1.26 -4.71 113.62 117.16 1y77 n SER 8 Ca -0.23 -0.60 -0.42 0.00 -0.26 0.00 0.00 58.87 57.36 1y77 n SER 8 Cb 0.52 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1y77 n SER 8 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y77 s ALA 9 N -2.00 3.32 1.04 7.33 0.00 -1.26 -5.00 121.76 125.19 1y77 s ALA 9 Ca 0.10 0.67 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 1y77 s ALA 9 Cb 0.04 -3.42 0.20 0.00 0.00 0.00 0.00 23.12 19.95 1y77 s ALA 9 CO 0.07 -0.42 1.01 -0.35 0.00 0.00 0.00 175.76 176.07 1y77 n PRO 10 N 4.20 -1.37 -4.27 0.00 -0.04 -1.26 -5.00 135.00 127.26 1y77 n PRO 10 Ca 0.08 -0.35 -0.25 0.00 -0.04 0.00 0.00 63.50 62.94 1y77 n PRO 10 Cb 0.48 -2.24 -0.17 0.00 -0.04 0.00 0.00 33.50 31.54 1y77 n PRO 10 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1y77 s LEU 11 N -6.43 1.42 0.00 1.53 2.96 -1.26 -5.13 118.68 111.77 1y77 s LEU 11 Ca 0.67 -0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 1y77 s LEU 11 Cb -0.24 -0.77 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1y77 s LEU 11 CO 0.62 -0.04 0.15 0.54 -1.32 0.00 0.00 176.35 176.30 1y77 n ARG 12 N 4.27 0.56 -4.14 1.98 1.74 -1.26 -5.16 116.66 114.66 1y77 n ARG 12 Ca -0.19 -2.83 -0.31 0.00 -0.77 0.00 0.00 57.85 53.74 1y77 n ARG 12 Cb 0.51 1.73 -0.08 0.00 -1.02 0.00 0.00 32.46 33.60 1y77 n ARG 12 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1y77 s THR 13 N -2.89 4.35 0.12 0.55 -4.23 -1.26 -5.08 115.64 107.20 1y77 s THR 13 Ca 0.21 -0.70 -0.31 0.00 -1.18 0.00 0.00 61.69 59.71 1y77 s THR 13 Cb 0.01 -3.03 -0.07 0.00 1.34 0.00 0.00 72.50 70.75 1y77 s THR 13 CO 0.15 0.24 1.31 -0.69 -0.54 0.00 0.00 174.62 175.09 1y77 s VAL 14 N -1.25 3.50 -0.09 2.29 1.01 -1.26 -4.90 120.40 119.71 1y77 s VAL 14 Ca 0.25 1.12 0.02 0.00 0.00 0.00 0.00 61.98 63.36 1y77 s VAL 14 Cb -0.12 -3.71 -0.07 0.00 0.00 0.00 0.00 36.38 32.48 1y77 s VAL 14 CO 0.16 0.11 -0.05 0.29 0.00 0.00 0.00 175.10 175.61 1y77 n LYS 15 N 3.62 1.01 -4.22 2.72 4.76 -1.26 -5.02 118.16 119.77 1y77 n LYS 15 Ca 0.09 0.04 -0.15 0.00 -2.87 0.00 0.00 58.31 55.42 1y77 n LYS 15 Cb 0.44 -1.18 -0.10 0.00 -1.84 0.00 0.00 35.03 32.34 1y77 n LYS 15 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1y77 s GLU 16 N -2.18 0.97 -0.20 1.97 2.02 -1.26 -4.10 118.70 115.93 1y77 s GLU 16 Ca -0.10 -1.30 -0.00 0.00 0.02 0.00 0.00 54.97 53.59 1y77 s GLU 16 Cb 0.03 -0.64 0.05 0.00 0.10 0.00 0.00 34.13 33.67 1y77 s GLU 16 CO 0.24 0.09 -0.05 0.08 0.02 0.00 0.00 175.26 175.64 1y77 s VAL 17 N -2.78 1.24 -0.45 2.63 1.01 -0.68 -4.94 120.40 116.42 1y77 s VAL 17 Ca 0.11 -0.88 -0.17 0.00 0.00 0.00 0.00 61.98 61.03 1y77 s VAL 17 Cb -0.01 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.92 1y77 s VAL 17 CO 0.01 -0.00 0.48 -1.10 0.00 0.00 0.00 175.10 174.48 1y77 s GLN 18 N 1.55 3.08 -0.33 2.72 -1.52 -1.26 -1.36 119.66 122.54 1y77 s GLN 18 Ca -0.02 -0.89 -0.24 0.00 -1.95 0.00 0.00 55.36 52.25 1y77 s GLN 18 Cb -0.17 -4.03 0.01 0.00 -0.22 0.00 0.00 33.01 28.60 1y77 s GLN 18 CO -0.07 -0.97 0.82 -0.06 -0.25 0.00 0.00 175.29 174.75 1y77 s PHE 19 N 2.17 3.16 0.00 0.91 2.99 -0.88 -5.01 117.98 121.32 1y77 s PHE 19 Ca 0.11 0.76 0.00 0.00 0.00 0.00 0.00 56.93 57.80 1y77 s PHE 19 Cb -0.19 -3.34 0.00 0.00 0.00 0.00 0.00 43.02 39.49 1y77 s PHE 19 CO 0.12 -0.65 0.00 0.41 -0.00 0.00 0.00 175.22 175.10 1y77 n GLY 20 N 4.29 4.77 3.21 4.36 0.00 -1.26 -3.65 105.19 116.93 1y77 n GLY 20 Ca 0.04 -2.03 -0.22 0.00 0.00 0.00 0.00 46.02 43.82 1y77 n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y77 s LEU 21 N 0.00 2.24 -0.06 0.99 1.43 0.41 -4.40 118.68 119.30 1y77 s LEU 21 Ca 0.00 -0.59 -0.28 0.00 -1.03 0.00 0.00 54.13 52.23 1y77 s LEU 21 Cb 0.00 -0.73 -0.03 0.00 0.03 0.00 0.00 46.19 45.47 1y77 s LEU 21 CO 0.00 0.03 0.91 -0.36 0.23 0.00 0.00 176.35 177.16 1y77 s PHE 22 N -1.07 3.58 -0.20 0.29 2.99 -1.26 -4.74 117.98 117.57 1y77 s PHE 22 Ca 0.03 1.53 -0.23 0.00 0.00 0.00 0.00 56.93 58.27 1y77 s PHE 22 Cb -0.09 -3.06 -0.02 0.00 0.00 0.00 0.00 43.02 39.85 1y77 s PHE 22 CO 0.03 -0.06 0.73 -1.54 -0.00 0.00 0.00 175.22 174.37 1y77 s SER 23 N 1.00 6.78 0.42 1.36 1.04 -1.26 -4.91 113.70 118.14 1y77 s SER 23 Ca 0.47 0.96 0.30 0.00 0.48 0.00 0.00 55.95 58.16 1y77 s SER 23 Cb -0.19 -2.40 1.41 0.00 0.10 0.00 0.00 66.02 64.94 1y77 s SER 23 CO 0.22 -0.36 1.48 -0.81 0.98 0.00 0.00 173.24 174.75 1y77 n PRO 24 N 5.33 -0.04 0.15 4.02 -0.04 -1.26 0.82 135.00 143.99 1y77 n PRO 24 Ca 0.02 1.19 -0.13 0.00 -0.04 0.00 0.00 63.50 64.54 1y77 n PRO 24 Cb 0.49 -2.35 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 1y77 n PRO 24 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1y77 h GLU 25 N 0.00 -0.46 0.29 0.54 3.07 -1.97 -1.65 114.58 114.41 1y77 h GLU 25 Ca 0.83 0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 59.71 1y77 h GLU 25 Cb 2.67 0.10 0.00 0.00 -0.84 0.00 0.00 28.75 30.69 1y77 h GLU 25 CO -0.45 -0.30 -0.14 1.49 -1.40 0.00 0.00 179.01 178.20 1y77 h GLU 26 N -0.47 -0.38 -0.88 2.33 4.81 0.03 -1.93 114.58 118.08 1y77 h GLU 26 Ca 0.00 0.03 0.23 0.00 -0.13 0.00 0.00 59.36 59.49 1y77 h GLU 26 Cb 0.45 0.09 -0.17 0.00 0.63 0.00 0.00 28.75 29.75 1y77 h GLU 26 CO -0.07 -0.17 -0.04 0.28 -0.73 0.00 0.00 179.01 178.27 1y77 n VAL 27 N -5.21 -0.37 0.00 0.32 0.31 -0.58 -0.46 118.33 112.35 1y77 n VAL 27 Ca -0.10 1.96 0.00 0.00 -0.01 0.00 0.00 64.34 66.20 1y77 n VAL 27 Cb 0.21 -2.83 0.00 0.00 -0.91 0.00 0.00 33.84 30.31 1y77 n VAL 27 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1y77 n ARG 28 N -5.33 0.00 -0.08 5.55 1.74 -0.63 -2.64 116.66 115.27 1y77 n ARG 28 Ca 0.19 0.34 -0.02 0.00 -0.77 0.00 0.00 57.85 57.59 1y77 n ARG 28 Cb 0.62 -1.28 -0.02 0.00 -1.02 0.00 0.00 32.46 30.76 1y77 n ARG 28 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y77 n ALA 29 N -1.53 -0.12 -0.16 7.54 0.00 0.40 0.12 120.51 126.75 1y77 n ALA 29 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 1y77 n ALA 29 Cb 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 1y77 n ALA 29 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1y77 h ILE 30 N 0.00 0.68 -2.82 0.00 2.04 -1.02 -3.45 117.51 112.94 1y77 h ILE 30 Ca 0.03 -0.07 -0.47 0.00 1.00 0.00 0.00 64.86 65.34 1y77 h ILE 30 Cb 0.08 0.46 0.23 0.00 -0.74 0.00 0.00 36.82 36.84 1y77 h ILE 30 CO -0.18 0.04 -0.72 -0.24 0.00 0.00 0.00 178.15 177.05 1y77 n SER 31 N -5.14 -2.07 -0.06 1.72 2.88 0.12 -4.88 113.62 106.19 1y77 n SER 31 Ca 0.06 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 1y77 n SER 31 Cb 0.26 -1.09 0.00 0.00 -0.75 0.00 0.00 64.21 62.63 1y77 n SER 31 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1y77 n VAL 32 N -4.31 0.00 -4.18 2.46 0.24 -1.09 -5.01 118.33 106.43 1y77 n VAL 32 Ca 0.03 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.06 1y77 n VAL 32 Cb 0.58 0.79 -0.17 0.00 -1.47 0.00 0.00 33.84 33.57 1y77 n VAL 32 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1y77 s ALA 33 N 0.00 1.49 0.10 2.33 0.00 -1.26 -4.52 121.76 119.90 1y77 s ALA 33 Ca 0.00 -0.62 -0.14 0.00 0.00 0.00 0.00 51.96 51.19 1y77 s ALA 33 Cb 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 23.12 22.17 1y77 s ALA 33 CO 0.00 -0.23 1.39 0.87 0.00 0.00 0.00 175.76 177.80 1y77 h LYS 34 N 7.74 0.74 -6.12 0.00 6.56 -1.88 -2.98 116.57 120.62 1y77 h LYS 34 Ca -0.32 -0.43 -0.27 0.00 -1.06 0.00 0.00 60.65 58.57 1y77 h LYS 34 Cb 1.15 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 1y77 h LYS 34 CO 0.46 1.06 -0.68 -0.89 -2.06 0.00 0.00 179.45 177.34 1y77 n ILE 35 N -4.19 -6.48 -0.09 1.86 5.41 -1.24 -4.55 119.36 110.08 1y77 n ILE 35 Ca -0.04 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.61 1y77 n ILE 35 Cb 0.53 -4.79 -0.12 0.00 -0.71 0.00 0.00 39.64 34.55 1y77 n ILE 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1y77 n ARG 36 N -1.83 1.03 -3.51 0.38 1.74 -1.25 -4.77 116.66 108.45 1y77 n ARG 36 Ca -0.14 0.03 -0.28 0.00 -0.77 0.00 0.00 57.85 56.69 1y77 n ARG 36 Cb 0.61 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 1y77 n ARG 36 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1y77 s PHE 37 N -2.42 3.48 -0.47 -1.55 0.40 -1.26 -5.02 117.98 111.14 1y77 s PHE 37 Ca -0.15 0.47 0.22 0.00 -0.60 0.00 0.00 56.93 56.87 1y77 s PHE 37 Cb 0.06 -1.97 -0.24 0.00 0.51 0.00 0.00 43.02 41.38 1y77 s PHE 37 CO 0.63 0.26 0.72 -0.35 0.70 0.00 0.00 175.22 177.18 1y77 n PRO 38 N -0.90 0.36 -0.57 0.24 -0.04 -1.26 -3.70 135.00 129.14 1y77 n PRO 38 Ca -0.03 -0.09 -0.29 0.00 -0.04 0.00 0.00 63.50 63.05 1y77 n PRO 38 Cb 0.54 -1.53 0.26 0.00 -0.04 0.00 0.00 33.50 32.73 1y77 n PRO 38 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1y77 s GLU 39 N -3.28 -1.38 -0.01 0.54 2.02 -1.26 -4.77 118.70 110.57 1y77 s GLU 39 Ca -0.00 0.60 -0.01 0.00 0.02 0.00 0.00 54.97 55.58 1y77 s GLU 39 Cb 0.15 -1.52 -0.00 0.00 0.10 0.00 0.00 34.13 32.86 1y77 s GLU 39 CO 0.88 -3.96 -0.01 2.41 0.02 0.00 0.00 175.26 174.59 1y77 n THR 40 N -5.05 0.07 0.00 3.63 -1.04 -1.26 -3.86 114.28 106.76 1y77 n THR 40 Ca 0.05 0.48 0.00 0.00 -2.04 0.00 0.00 64.05 62.54 1y77 n THR 40 Cb 0.56 -1.54 0.00 0.00 -1.82 0.00 0.00 70.33 67.53 1y77 n THR 40 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1y77 n MET 41 N -2.54 0.00 -0.68 -2.82 2.81 -1.26 -3.90 117.12 108.72 1y77 n MET 41 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 1y77 n MET 41 Cb 0.02 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.53 1y77 n MET 41 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1y77 n ASP 42 N 0.00 0.00 -3.16 7.83 8.00 -1.24 -4.26 116.55 123.72 1y77 n ASP 42 Ca 0.00 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.28 1y77 n ASP 42 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 1y77 n ASP 42 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1y77 n GLU 43 N 0.23 2.09 -1.31 -1.24 1.02 -0.09 -2.96 120.64 118.38 1y77 n GLU 43 Ca 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.69 1y77 n GLU 43 Cb 0.00 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 28.98 1y77 n GLU 43 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1y77 n THR 44 N 4.17 -0.33 0.00 2.62 -1.04 -1.26 -3.97 114.28 114.47 1y77 n THR 44 Ca 0.44 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1y77 n THR 44 Cb 0.14 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 1y77 n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y77 n GLN 45 N -0.90 0.00 -1.66 -2.82 6.02 -1.16 -4.94 117.38 111.93 1y77 n GLN 45 Ca 0.00 0.00 -0.49 0.00 -0.01 0.00 0.00 57.00 56.50 1y77 n GLN 45 Cb 0.37 -0.53 -0.05 0.00 1.02 0.00 0.00 30.24 31.05 1y77 n GLN 45 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1y77 n THR 46 N 0.00 0.13 -2.21 5.09 -1.04 -1.25 -4.63 114.28 110.37 1y77 n THR 46 Ca 0.00 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.60 1y77 n THR 46 Cb 0.00 -1.40 -0.02 0.00 -1.82 0.00 0.00 70.33 67.09 1y77 n THR 46 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1y77 s ARG 47 N 1.60 4.12 0.00 -2.82 0.52 -1.26 -0.91 118.95 120.20 1y77 s ARG 47 Ca 0.84 1.99 0.00 0.00 -0.52 0.00 0.00 55.73 58.04 1y77 s ARG 47 Cb -0.78 -2.80 0.00 0.00 0.52 0.00 0.00 34.95 31.89 1y77 s ARG 47 CO 0.45 -0.31 0.00 0.00 0.02 0.00 0.00 175.30 175.46 1y77 n ALA 48 N 0.28 0.00 -3.46 2.13 0.00 -1.26 -4.93 120.51 113.28 1y77 n ALA 48 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 1y77 n ALA 48 Cb 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 1y77 n ALA 48 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1y77 s LYS 49 N -0.47 0.71 0.22 0.00 1.02 -1.26 -4.49 119.74 115.46 1y77 s LYS 49 Ca 0.00 0.67 -0.14 0.00 0.02 0.00 0.00 55.97 56.52 1y77 s LYS 49 Cb 0.00 0.34 -0.08 0.00 -0.52 0.00 0.00 37.83 37.58 1y77 s LYS 49 CO 0.00 -0.11 0.61 0.42 -0.92 0.00 0.00 175.35 175.35 1y77 s ILE 50 N 0.02 4.80 0.00 2.17 1.01 -1.25 -4.88 121.20 123.07 1y77 s ILE 50 Ca -0.02 0.81 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 1y77 s ILE 50 Cb -0.04 -3.69 -0.06 0.00 0.01 0.00 0.00 42.46 38.69 1y77 s ILE 50 CO 0.02 0.06 1.17 0.61 0.00 0.00 0.00 174.94 176.79 1y77 n GLY 51 N 0.27 1.43 0.00 6.18 0.00 -1.26 -3.87 105.19 107.94 1y77 n GLY 51 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1y77 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y77 n GLY 52 N 2.64 0.16 3.65 -0.02 0.00 -1.26 -4.62 105.19 105.73 1y77 n GLY 52 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 1y77 n GLY 52 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1y77 s LEU 53 N -1.77 3.21 0.00 0.99 0.20 -1.24 -3.59 118.68 116.47 1y77 s LEU 53 Ca 0.00 -0.60 0.00 0.00 0.69 0.00 0.00 54.13 54.22 1y77 s LEU 53 Cb 0.00 -1.76 0.00 0.00 -0.43 0.00 0.00 46.19 44.00 1y77 s LEU 53 CO 0.00 0.02 0.00 -0.46 -0.29 0.00 0.00 176.35 175.62 1y77 n ASN 54 N -0.72 -1.68 0.00 3.68 0.23 -1.26 -4.53 115.26 110.97 1y77 n ASN 54 Ca -0.07 0.16 0.00 0.00 -0.53 0.00 0.00 54.58 54.14 1y77 n ASN 54 Cb 0.58 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1y77 n ASN 54 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1y77 n ASP 55 N 1.40 0.00 -0.16 0.53 2.03 -1.26 -4.81 116.55 114.29 1y77 n ASP 55 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1y77 n ASP 55 Cb 0.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1y77 n ASP 55 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1y77 n PRO 56 N -0.60 0.69 0.00 -0.67 -0.02 -1.26 -4.29 135.00 128.85 1y77 n PRO 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1y77 n PRO 56 Cb 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 1y77 n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1y77 n ARG 57 N -0.29 0.00 0.00 -0.52 1.74 -1.26 -4.80 116.66 111.52 1y77 n ARG 57 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1y77 n ARG 57 Cb 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.49 1y77 n ARG 57 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y77 n LEU 58 N 0.00 0.00 0.00 0.55 4.77 -1.26 -4.34 117.00 116.72 1y77 n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1y77 n LEU 58 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1y77 n LEU 58 CO 0.00 -0.66 0.00 0.61 -1.33 0.00 0.00 177.39 176.01 1y77 n GLY 59 N 1.63 -2.47 0.00 -0.72 0.00 -1.26 -4.66 105.19 97.71 1y77 n GLY 59 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.19 1y77 n GLY 59 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y77 n SER 60 N 0.00 0.00 0.00 1.61 3.41 -1.26 -4.56 113.62 112.82 1y77 n SER 60 Ca 0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 1y77 n SER 60 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1y77 n SER 60 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1y77 n ILE 61 N 0.00 0.00 -0.90 -1.33 5.41 -1.26 -4.89 119.36 116.38 1y77 n ILE 61 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.74 1y77 n ILE 61 Cb 0.00 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 38.93 1y77 n ILE 61 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1y77 n ASP 62 N 0.00 -0.15 -3.99 4.38 -0.08 -1.26 -2.02 116.55 113.42 1y77 n ASP 62 Ca 0.00 0.05 -0.37 0.00 -1.51 0.00 0.00 54.79 52.95 1y77 n ASP 62 Cb 0.00 -0.15 0.00 0.00 2.34 0.00 0.00 41.12 43.31 1y77 n ASP 62 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1y77 n ARG 63 N -0.42 -1.07 -3.78 -0.67 1.74 -1.26 -4.95 116.66 106.25 1y77 n ARG 63 Ca 0.00 0.23 -0.28 0.00 -0.77 0.00 0.00 57.85 57.03 1y77 n ARG 63 Cb 0.07 -3.41 -0.16 0.00 -1.02 0.00 0.00 32.46 27.93 1y77 n ARG 63 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1y77 s ASN 64 N -3.77 3.01 0.00 0.55 0.01 -0.86 -5.07 114.94 108.81 1y77 s ASN 64 Ca 0.34 -0.84 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1y77 s ASN 64 Cb -0.16 -0.70 0.00 0.00 0.41 0.00 0.00 41.25 40.79 1y77 s ASN 64 CO 0.93 -0.28 0.00 0.18 -1.51 0.00 0.00 177.10 176.42 1y77 n LEU 65 N 4.98 0.00 0.00 0.60 4.77 -1.26 -4.68 117.00 121.41 1y77 n LEU 65 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 1y77 n LEU 65 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1y77 n LEU 65 CO 0.14 0.00 0.00 0.29 -1.33 0.00 0.00 177.39 176.49 1y77 n LYS 66 N -0.12 0.00 -2.70 3.23 5.02 -1.26 -3.83 118.16 118.50 1y77 n LYS 66 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1y77 n LYS 66 Cb 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.11 1y77 n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y77 n GLN 68 N -0.68 -0.73 0.00 0.00 6.02 -1.26 -2.92 117.38 117.81 1y77 n GLN 68 Ca -0.03 0.13 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1y77 n GLN 68 Cb 0.85 -2.66 0.00 0.00 1.02 0.00 0.00 30.24 29.45 1y77 n GLN 68 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1y77 n THR 69 N -1.59 0.00 0.00 5.09 -1.04 -1.26 -4.61 114.28 110.87 1y77 n THR 69 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 1y77 n THR 69 Cb 0.52 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.03 1y77 n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y77 n GLN 71 N -0.99 0.00 0.00 0.00 10.64 -1.26 -4.59 117.38 121.18 1y77 n GLN 71 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1y77 n GLN 71 Cb 0.29 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.67 1y77 n GLN 71 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1y77 n GLU 72 N 6.79 0.00 -0.42 2.61 -0.58 -1.26 -4.54 120.64 123.23 1y77 n GLU 72 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1y77 n GLU 72 Cb 0.00 -0.23 -0.00 0.00 -0.57 0.00 0.00 31.44 30.64 1y77 n GLU 72 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y77 n GLY 73 N 0.00 -3.13 0.00 0.62 0.00 -1.25 -4.65 105.19 96.78 1y77 n GLY 73 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1y77 n GLY 73 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1y77 n MET 74 N -1.81 0.00 -2.73 1.61 2.81 -1.26 -3.90 117.12 111.84 1y77 n MET 74 Ca -0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 1y77 n MET 74 Cb 0.13 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.61 1y77 n MET 74 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1y77 s ASN 75 N 0.00 6.59 0.00 7.83 3.84 -1.26 -3.34 114.94 128.60 1y77 s ASN 75 Ca 0.00 0.34 0.00 0.00 0.21 0.00 0.00 52.86 53.41 1y77 s ASN 75 Cb 0.00 -2.49 0.00 0.00 -0.55 0.00 0.00 41.25 38.21 1y77 s ASN 75 CO 0.00 -1.10 0.00 1.21 -2.79 0.00 0.00 177.10 174.42 1y77 n GLU 76 N 7.38 0.00 -0.10 0.43 4.07 -1.25 -5.01 120.64 126.15 1y77 n GLU 76 Ca 0.09 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.29 1y77 n GLU 76 Cb 0.49 -0.56 0.15 0.00 -0.06 0.00 0.00 31.44 31.45 1y77 n GLU 76 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1y77 n PRO 78 N -1.41 0.00 -1.56 0.00 -0.04 -1.26 -4.65 135.00 126.08 1y77 n PRO 78 Ca 0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.33 1y77 n PRO 78 Cb 0.65 -0.15 0.13 0.00 -0.04 0.00 0.00 33.50 34.09 1y77 n PRO 78 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1y77 s GLY 79 N -0.15 1.58 -0.29 0.55 0.00 -1.26 -4.81 107.32 102.94 1y77 s GLY 79 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 44.72 44.19 1y77 s GLY 79 CO 0.00 0.02 0.04 0.30 0.00 0.00 0.00 173.10 173.46 1y77 s HIS 80 N -3.30 2.36 0.41 1.90 3.76 -1.26 -4.92 115.29 114.24 1y77 s HIS 80 Ca 0.64 -2.01 -0.21 0.00 -0.15 0.00 0.00 55.06 53.32 1y77 s HIS 80 Cb -0.14 -1.95 -0.15 0.00 1.11 0.00 0.00 32.58 31.44 1y77 s HIS 80 CO 0.53 -0.85 0.13 1.19 -0.85 0.00 0.00 174.74 174.89 1y77 n PHE 81 N 4.66 -1.95 -4.60 1.40 3.01 -1.26 -4.59 117.46 114.14 1y77 n PHE 81 Ca -0.03 0.62 -0.27 0.00 1.01 0.00 0.00 57.45 58.77 1y77 n PHE 81 Cb 0.43 -1.80 -0.11 0.00 -0.01 0.00 0.00 39.48 37.99 1y77 n PHE 81 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1y77 s GLY 82 N -1.00 2.43 0.24 1.37 0.00 -1.12 -2.66 107.32 106.57 1y77 s GLY 82 Ca 0.60 -2.25 0.01 0.00 0.00 0.00 0.00 44.72 43.07 1y77 s GLY 82 CO 0.62 -2.07 0.09 -2.38 0.00 0.00 0.00 173.10 169.36 1y77 s HIS 83 N -2.72 1.43 -0.34 1.90 -3.43 -1.13 0.26 115.29 111.26 1y77 s HIS 83 Ca 0.35 -1.19 0.06 0.00 -0.80 0.00 0.00 55.06 53.47 1y77 s HIS 83 Cb 0.09 -0.82 0.19 0.00 -1.43 0.00 0.00 32.58 30.61 1y77 s HIS 83 CO 0.18 -0.37 0.58 -1.50 -2.00 0.00 0.00 174.74 171.62 1y77 s ILE 84 N -3.81 -0.94 -0.29 -5.38 2.07 -0.76 -4.24 121.20 107.86 1y77 s ILE 84 Ca 0.36 -0.07 -0.41 0.00 -1.41 0.00 0.00 60.65 59.12 1y77 s ILE 84 Cb 0.07 -0.62 -0.16 0.00 0.13 0.00 0.00 42.46 41.88 1y77 s ILE 84 CO 0.12 -0.05 1.74 0.47 -1.91 0.00 0.00 174.94 175.30 1y77 n ASP 85 N 5.00 2.33 -3.48 4.50 8.00 -1.26 -3.32 116.55 128.31 1y77 n ASP 85 Ca 0.07 1.08 -0.27 0.00 0.71 0.00 0.00 54.79 56.38 1y77 n ASP 85 Cb 0.54 -1.13 0.22 0.00 -0.02 0.00 0.00 41.12 40.74 1y77 n ASP 85 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1y77 n LEU 86 N 5.30 0.00 -0.11 0.64 4.77 -0.82 -4.98 117.00 121.80 1y77 n LEU 86 Ca 0.27 -1.08 -0.21 0.00 -0.03 0.00 0.00 56.01 54.95 1y77 n LEU 86 Cb 0.12 -0.91 -0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1y77 n LEU 86 CO 0.81 -1.99 -1.26 0.00 -1.33 0.00 0.00 177.39 173.63 1y77 n ALA 87 N -4.61 1.27 -3.15 -1.18 0.00 -1.26 -4.98 120.51 106.61 1y77 n ALA 87 Ca -0.19 -1.01 -0.13 0.00 0.00 0.00 0.00 53.44 52.12 1y77 n ALA 87 Cb 0.53 -0.15 -0.11 0.00 0.00 0.00 0.00 19.45 19.72 1y77 n ALA 87 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1y77 s LYS 88 N -2.51 0.33 0.21 0.00 1.02 -1.26 -5.03 119.74 112.49 1y77 s LYS 88 Ca -0.34 0.31 -0.29 0.00 0.02 0.00 0.00 55.97 55.67 1y77 s LYS 88 Cb 0.10 0.16 -0.16 0.00 -0.52 0.00 0.00 37.83 37.40 1y77 s LYS 88 CO 0.60 -0.05 0.74 -0.35 -0.92 0.00 0.00 175.35 175.37 1y77 n PRO 89 N 2.81 0.46 -4.34 -1.68 -0.04 -1.26 -4.97 135.00 125.99 1y77 n PRO 89 Ca -0.13 0.16 -0.18 0.00 -0.04 0.00 0.00 63.50 63.30 1y77 n PRO 89 Cb 0.58 -1.33 -0.10 0.00 -0.04 0.00 0.00 33.50 32.61 1y77 n PRO 89 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1y77 s VAL 90 N -0.90 1.70 0.81 0.52 1.01 -0.74 -4.66 120.40 118.13 1y77 s VAL 90 Ca 0.65 -2.17 -0.12 0.00 0.00 0.00 0.00 61.98 60.34 1y77 s VAL 90 Cb -0.88 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 33.57 1y77 s VAL 90 CO 0.57 -0.58 1.16 -0.36 0.00 0.00 0.00 175.10 175.88 1y77 s PHE 91 N -2.91 2.95 -0.79 5.22 0.40 -1.26 -1.05 117.98 120.53 1y77 s PHE 91 Ca 0.21 0.83 0.02 0.00 -0.60 0.00 0.00 56.93 57.39 1y77 s PHE 91 Cb -0.01 -3.40 0.21 0.00 0.51 0.00 0.00 43.02 40.33 1y77 s PHE 91 CO 0.06 -1.76 0.71 1.58 0.70 0.00 0.00 175.22 176.51 1y77 n HIS 92 N -3.33 3.66 0.00 0.36 -0.00 -1.23 -4.63 115.22 110.04 1y77 n HIS 92 Ca 0.08 -4.13 0.00 0.00 0.46 0.00 0.00 57.72 54.13 1y77 n HIS 92 Cb 0.60 -0.85 0.00 0.00 -0.12 0.00 0.00 29.99 29.62 1y77 n HIS 92 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1y77 n VAL 93 N 1.85 0.00 0.07 3.57 0.31 -1.26 0.34 118.33 123.22 1y77 n VAL 93 Ca 0.23 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.59 1y77 n VAL 93 Cb 0.37 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.26 1y77 n VAL 93 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1y77 h GLY 94 N 0.00 0.00 1.37 2.92 0.00 -1.94 -3.36 103.07 102.07 1y77 h GLY 94 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1y77 h GLY 94 CO 0.00 0.00 -0.80 0.74 0.00 0.00 0.00 176.54 176.48 1y77 h PHE 95 N 0.00 0.00 -0.82 5.60 0.05 0.55 -3.37 116.94 118.96 1y77 h PHE 95 Ca -0.10 0.00 0.14 0.00 3.82 0.00 0.00 57.97 61.84 1y77 h PHE 95 Cb 1.42 0.00 -0.14 0.00 2.00 0.00 0.00 35.95 39.23 1y77 h PHE 95 CO 0.00 0.22 -0.27 -0.89 -0.18 0.00 0.00 178.31 177.19 1y77 n ILE 96 N -2.91 -0.39 -0.35 -0.55 5.41 -1.19 0.20 119.36 119.58 1y77 n ILE 96 Ca -0.01 1.90 0.29 0.00 1.00 0.00 0.00 62.75 65.93 1y77 n ILE 96 Cb 0.64 -2.56 0.54 0.00 -0.71 0.00 0.00 39.64 37.56 1y77 n ILE 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y77 h ALA 97 N 1.34 2.16 0.00 -1.39 0.00 -1.84 -0.89 119.26 118.64 1y77 h ALA 97 Ca 0.33 0.20 -0.11 0.00 0.00 0.00 0.00 54.91 55.34 1y77 h ALA 97 Cb 0.53 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1y77 h ALA 97 CO -0.83 -0.83 -0.75 0.87 0.00 0.00 0.00 179.25 177.72 1y77 h LYS 98 N 0.18 0.00 -0.86 0.00 1.57 0.21 -3.19 116.57 114.48 1y77 h LYS 98 Ca 0.78 0.00 0.35 0.00 -1.87 0.00 0.00 60.65 59.92 1y77 h LYS 98 Cb 2.01 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 34.17 1y77 h LYS 98 CO -0.62 0.57 0.44 -0.89 -0.57 0.00 0.00 179.45 178.37 1y77 n ILE 99 N -4.55 -0.36 0.00 1.86 5.41 -0.15 -0.09 119.36 121.47 1y77 n ILE 99 Ca -0.18 1.75 0.00 0.00 1.00 0.00 0.00 62.75 65.31 1y77 n ILE 99 Cb 0.45 -2.82 0.00 0.00 -0.71 0.00 0.00 39.64 36.56 1y77 n ILE 99 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1y77 n LYS 100 N -4.95 0.00 -0.44 0.38 4.81 -0.40 -2.82 118.16 114.74 1y77 n LYS 100 Ca 0.32 0.13 0.35 0.00 -0.87 0.00 0.00 58.31 58.25 1y77 n LYS 100 Cb 1.08 -1.04 0.54 0.00 0.02 0.00 0.00 35.03 35.63 1y77 n LYS 100 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1y77 n LYS 101 N -0.90 0.00 -0.03 1.64 5.02 0.87 0.11 118.16 124.87 1y77 n LYS 101 Ca 0.00 0.81 -0.14 0.00 -2.02 0.00 0.00 58.31 56.96 1y77 n LYS 101 Cb 0.00 -1.90 -0.10 0.00 -0.02 0.00 0.00 35.03 33.02 1y77 n LYS 101 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1y77 h VAL 102 N 0.00 1.45 -0.77 -0.18 2.07 -0.53 -2.85 116.25 115.43 1y77 h VAL 102 Ca 0.62 -1.56 0.01 0.00 0.82 0.00 0.00 66.70 66.59 1y77 h VAL 102 Cb 2.69 2.35 -0.04 0.00 -1.52 0.00 0.00 31.29 34.77 1y77 h VAL 102 CO -0.01 0.43 0.51 0.00 0.02 0.00 0.00 177.57 178.52 1y77 n GLU 104 N -4.56 0.01 -0.01 0.00 1.02 -1.00 -1.30 120.64 114.80 1y77 n GLU 104 Ca 0.08 0.37 0.10 0.00 -0.02 0.00 0.00 57.16 57.69 1y77 n GLU 104 Cb 0.04 -1.50 -0.16 0.00 -0.02 0.00 0.00 31.44 29.80 1y77 n GLU 104 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y77 s VAL 106 N -3.43 0.08 0.05 0.00 1.01 -0.27 -3.90 120.40 113.95 1y77 s VAL 106 Ca -0.08 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.27 1y77 s VAL 106 Cb 0.13 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 1y77 s VAL 106 CO 0.90 -0.34 0.20 0.00 0.00 0.00 0.00 175.10 175.85 1y77 n MET 108 N 0.38 -1.90 0.00 0.00 0.00 -1.26 -2.07 117.12 112.26 1y77 n MET 108 Ca -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 57.70 57.14 1y77 n MET 108 Cb 0.51 -0.50 0.00 0.00 0.00 0.00 0.00 33.22 33.23 1y77 n MET 108 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1y77 n HIS 109 N -3.34 0.00 0.27 2.03 8.25 -1.26 -3.49 115.22 117.69 1y77 n HIS 109 Ca 0.04 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.53 1y77 n HIS 109 Cb 0.18 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1y77 n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y77 n GLY 111 N 1.05 -0.27 3.52 0.00 0.00 -0.88 -4.89 105.19 103.71 1y77 n GLY 111 Ca 0.01 0.07 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 1y77 n GLY 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1y77 s LYS 112 N -0.49 0.82 1.04 1.61 2.20 -1.24 -4.37 119.74 119.32 1y77 s LYS 112 Ca -0.01 -0.31 -0.22 0.00 -0.36 0.00 0.00 55.97 55.06 1y77 s LYS 112 Cb 0.00 0.37 -0.06 0.00 -1.51 0.00 0.00 37.83 36.63 1y77 s LYS 112 CO 0.04 -0.36 -0.78 1.28 -0.36 0.00 0.00 175.35 175.18 1y77 n LEU 113 N -0.25 -2.86 -0.15 5.43 4.77 -1.26 -3.51 117.00 119.16 1y77 n LEU 113 Ca -0.08 -0.01 0.08 0.00 -0.03 0.00 0.00 56.01 55.97 1y77 n LEU 113 Cb 0.62 -0.74 0.12 0.00 -2.33 0.00 0.00 43.42 41.09 1y77 n LEU 113 CO 0.11 -3.14 0.52 0.18 -1.33 0.00 0.00 177.39 173.73 1y77 n LEU 114 N 1.23 2.02 -3.31 2.23 4.77 -1.25 -4.74 117.00 117.95 1y77 n LEU 114 Ca -0.00 -2.81 0.03 0.00 -0.03 0.00 0.00 56.01 53.19 1y77 n LEU 114 Cb 0.67 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.36 1y77 n LEU 114 CO 0.48 0.66 0.56 -0.76 -1.33 0.00 0.00 177.39 177.01 1y77 s LEU 115 N -2.47 -0.62 0.45 2.23 1.43 -1.26 -4.92 118.68 113.52 1y77 s LEU 115 Ca 0.28 0.66 0.07 0.00 -1.03 0.00 0.00 54.13 54.11 1y77 s LEU 115 Cb 0.24 1.63 -0.01 0.00 0.03 0.00 0.00 46.19 48.08 1y77 s LEU 115 CO 0.02 -0.12 0.33 -1.81 0.23 0.00 0.00 176.35 175.00 1y77 s ASP 116 N 2.62 4.74 0.32 2.29 1.01 -1.26 -4.95 116.67 121.45 1y77 s ASP 116 Ca 0.00 -1.00 0.26 0.00 0.71 0.00 0.00 52.55 52.52 1y77 s ASP 116 Cb -0.08 -0.24 1.07 0.00 1.01 0.00 0.00 42.92 44.68 1y77 s ASP 116 CO -0.16 -0.76 1.06 -0.62 0.21 0.00 0.00 175.17 174.90 1y77 n GLU 117 N -1.53 -0.02 0.03 8.23 4.71 -1.26 -0.12 120.64 130.68 1y77 n GLU 117 Ca 0.01 0.81 -0.15 0.00 -0.01 0.00 0.00 57.16 57.81 1y77 n GLU 117 Cb 0.63 -1.68 -0.10 0.00 -1.01 0.00 0.00 31.44 29.28 1y77 n GLU 117 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1y77 h HIS 118 N 0.00 -1.58 -2.75 -0.32 3.86 -1.99 -3.40 115.15 108.97 1y77 h HIS 118 Ca 0.61 0.05 -0.53 0.00 -1.16 0.00 0.00 60.37 59.35 1y77 h HIS 118 Cb 2.14 0.70 0.03 0.00 1.06 0.00 0.00 27.41 31.34 1y77 h HIS 118 CO -0.00 -0.56 0.95 1.21 0.86 0.00 0.00 177.93 180.39 1y77 s ASN 119 N -4.76 6.60 0.22 2.45 3.84 0.83 -4.92 114.94 119.20 1y77 s ASN 119 Ca -0.15 2.54 0.02 0.00 0.21 0.00 0.00 52.86 55.48 1y77 s ASN 119 Cb 0.07 -2.58 0.20 0.00 -0.55 0.00 0.00 41.25 38.40 1y77 s ASN 119 CO 0.60 -0.86 1.54 -0.08 -2.79 0.00 0.00 177.10 175.51 1y77 h GLU 120 N 7.69 0.32 -0.00 0.43 4.81 -1.90 -3.04 114.58 122.89 1y77 h GLU 120 Ca -0.43 -0.22 -0.02 0.00 -0.13 0.00 0.00 59.36 58.57 1y77 h GLU 120 Cb 1.20 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 1y77 h GLU 120 CO 0.92 0.83 -0.08 -0.07 -0.73 0.00 0.00 179.01 179.88 1y77 h LEU 121 N 0.24 0.00 -0.42 1.64 3.38 -1.94 -1.52 115.31 116.68 1y77 h LEU 121 Ca -0.01 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1y77 h LEU 121 Cb 1.12 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1y77 h LEU 121 CO 0.10 0.09 -0.10 -0.03 0.09 0.00 0.00 178.44 178.59 1y77 h MET 122 N 0.00 0.82 0.10 1.13 4.05 -1.89 -3.01 114.93 116.13 1y77 h MET 122 Ca -0.00 -0.31 0.01 0.00 -0.28 0.00 0.00 59.70 59.12 1y77 h MET 122 Cb 0.15 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 30.85 1y77 h MET 122 CO 0.01 0.93 -0.54 0.00 0.23 0.00 0.00 176.91 177.55 1y77 h ARG 123 N 0.64 -0.72 -0.25 0.39 3.08 -1.35 0.35 114.38 116.52 1y77 h ARG 123 Ca 0.11 0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.28 1y77 h ARG 123 Cb 0.63 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 1y77 h ARG 123 CO 0.04 -0.48 0.47 1.96 -1.07 0.00 0.00 179.97 180.89 1y77 h GLN 124 N -0.75 0.00 -0.01 0.04 4.20 -1.54 0.97 115.11 118.02 1y77 h GLN 124 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1y77 h GLN 124 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 1y77 h GLN 124 CO -0.30 0.00 -0.08 0.00 -0.67 0.00 0.00 178.83 177.78 1y77 n ALA 125 N -2.10 2.73 0.44 3.87 0.00 0.12 -3.89 120.51 121.68 1y77 n ALA 125 Ca 0.04 -0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.13 1y77 n ALA 125 Cb 0.59 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.87 1y77 n ALA 125 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y77 n LEU 126 N -0.21 1.57 -0.02 0.00 4.77 0.34 -4.42 117.00 119.02 1y77 n LEU 126 Ca 0.17 -0.89 -0.08 0.00 -0.03 0.00 0.00 56.01 55.18 1y77 n LEU 126 Cb 0.33 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.29 1y77 n LEU 126 CO 0.20 0.31 -0.55 0.00 -1.33 0.00 0.00 177.39 176.01 1y77 n ALA 127 N 0.20 1.55 -1.69 -1.18 0.00 -1.16 -4.89 120.51 113.33 1y77 n ALA 127 Ca 0.05 -0.79 -0.54 0.00 0.00 0.00 0.00 53.44 52.17 1y77 n ALA 127 Cb 0.24 -0.81 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 1y77 n ALA 127 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1y77 n ILE 128 N -3.00 0.35 -3.19 0.00 5.41 -1.26 -4.89 119.36 112.78 1y77 n ILE 128 Ca -0.17 -0.06 -0.43 0.00 1.00 0.00 0.00 62.75 63.09 1y77 n ILE 128 Cb 1.04 -1.40 -0.00 0.00 -0.71 0.00 0.00 39.64 38.56 1y77 n ILE 128 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 1y77 n LYS 129 N 5.42 3.92 -3.15 0.38 5.02 -1.26 -4.70 118.16 123.79 1y77 n LYS 129 Ca 0.24 -4.52 0.05 0.00 -2.02 0.00 0.00 58.31 52.06 1y77 n LYS 129 Cb 0.19 -2.51 -0.01 0.00 -0.02 0.00 0.00 35.03 32.68 1y77 n LYS 129 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1y77 s ASP 130 N -0.57 -0.94 0.14 4.39 1.01 -1.26 -5.03 116.67 114.41 1y77 s ASP 130 Ca 0.31 0.58 -0.32 0.00 0.71 0.00 0.00 52.55 53.83 1y77 s ASP 130 Cb -0.01 1.79 -0.09 0.00 1.01 0.00 0.00 42.92 45.61 1y77 s ASP 130 CO 0.02 -0.18 1.55 0.77 0.21 0.00 0.00 175.17 177.54 1y77 h SER 131 N 7.99 -1.92 -0.97 0.27 4.64 -1.97 0.62 113.55 122.21 1y77 h SER 131 Ca -0.18 0.26 0.28 0.00 -0.47 0.00 0.00 61.79 61.68 1y77 h SER 131 Cb 1.17 0.81 -0.04 0.00 -0.31 0.00 0.00 62.40 64.02 1y77 h SER 131 CO 0.09 -0.36 0.70 0.11 -0.87 0.00 0.00 176.83 176.49 1y77 h LYS 132 N -0.30 0.02 0.03 4.77 1.57 -1.97 -2.09 116.57 118.60 1y77 h LYS 132 Ca 0.10 -0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.55 1y77 h LYS 132 Cb 0.55 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 1y77 h LYS 132 CO -0.68 0.01 -1.92 1.63 -0.57 0.00 0.00 179.45 177.92 1y77 n LYS 133 N -4.26 0.67 0.10 3.15 5.02 0.17 -3.28 118.16 119.74 1y77 n LYS 133 Ca 0.20 0.24 -0.04 0.00 -2.02 0.00 0.00 58.31 56.69 1y77 n LYS 133 Cb 1.03 -1.72 -0.02 0.00 -0.02 0.00 0.00 35.03 34.30 1y77 n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1y77 h ARG 134 N 0.02 -0.27 0.00 1.97 3.08 0.45 -2.12 114.38 117.51 1y77 h ARG 134 Ca -0.37 0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1y77 h ARG 134 Cb 2.04 0.06 0.00 0.00 0.08 0.00 0.00 29.97 32.16 1y77 h ARG 134 CO 0.07 -0.18 0.47 0.35 -1.07 0.00 0.00 179.97 179.61 1y77 h PHE 135 N -0.50 0.00 0.00 3.04 3.57 -1.62 0.56 116.94 121.99 1y77 h PHE 135 Ca -0.03 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.15 1y77 h PHE 135 Cb 0.22 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1y77 h PHE 135 CO 0.06 0.00 -1.92 0.00 -2.23 0.00 0.00 178.31 174.23 1y77 n ALA 136 N -1.71 1.48 0.02 2.41 0.00 -1.20 -3.15 120.51 118.36 1y77 n ALA 136 Ca -0.01 -0.93 -0.19 0.00 0.00 0.00 0.00 53.44 52.30 1y77 n ALA 136 Cb 0.50 -0.65 -0.14 0.00 0.00 0.00 0.00 19.45 19.16 1y77 n ALA 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 h ALA 137 N 0.97 -0.03 0.14 0.00 0.00 0.34 -3.17 119.26 117.50 1y77 h ALA 137 Ca -0.37 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 53.80 1y77 h ALA 137 Cb 2.08 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 20.01 1y77 h ALA 137 CO 0.06 0.40 -0.28 0.82 0.00 0.00 0.00 179.25 180.26 1y77 h ILE 138 N -0.46 0.00 -0.63 0.00 2.04 -0.29 -1.39 117.51 116.79 1y77 h ILE 138 Ca -0.15 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.76 1y77 h ILE 138 Cb 1.57 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.58 1y77 h ILE 138 CO 0.11 0.00 -0.37 1.87 0.00 0.00 0.00 178.15 179.76 1y77 n TRP 139 N -4.02 -0.28 -0.34 1.37 -0.00 -1.19 0.64 117.44 113.62 1y77 n TRP 139 Ca -0.05 0.78 0.22 0.00 -0.00 0.00 0.00 57.50 58.46 1y77 n TRP 139 Cb 0.23 -0.54 0.48 0.00 -0.00 0.00 0.00 31.31 31.47 1y77 n TRP 139 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 177.69 178.84 1y77 h THR 140 N 0.00 0.47 0.00 5.87 2.02 -1.49 0.13 112.91 119.91 1y77 h THR 140 Ca 0.10 -0.14 -0.04 0.00 0.77 0.00 0.00 66.41 67.10 1y77 h THR 140 Cb 0.26 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1y77 h THR 140 CO -0.59 0.08 -0.18 -0.07 0.37 0.00 0.00 175.52 175.13 1y77 h LEU 141 N 0.42 0.00 -2.29 2.58 3.38 0.14 -3.34 115.31 116.19 1y77 h LEU 141 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.62 1y77 h LEU 141 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 1y77 h LEU 141 CO -0.40 0.18 -0.18 0.00 0.09 0.00 0.00 178.44 178.13 1y77 h LYS 143 N 0.00 0.00 0.18 0.00 2.10 -1.14 -3.29 116.57 114.42 1y77 h LYS 143 Ca 0.00 0.00 -0.32 0.00 -2.00 0.00 0.00 60.65 58.33 1y77 h LYS 143 Cb 1.07 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.42 1y77 h LYS 143 CO 0.00 0.27 -1.52 1.15 -2.00 0.00 0.00 179.45 177.34 1y77 h THR 144 N 0.00 1.09 -2.81 0.07 2.02 -1.82 -3.45 112.91 108.00 1y77 h THR 144 Ca -0.00 -2.53 -0.54 0.00 0.77 0.00 0.00 66.41 64.11 1y77 h THR 144 Cb 1.06 2.86 0.01 0.00 -1.74 0.00 0.00 68.15 70.33 1y77 h THR 144 CO 0.03 0.80 0.91 -0.54 0.37 0.00 0.00 175.52 177.09 1y77 s LYS 145 N -2.54 4.24 -0.25 6.66 1.02 -1.24 -4.90 119.74 122.73 1y77 s LYS 145 Ca -0.15 2.15 0.09 0.00 0.02 0.00 0.00 55.97 58.08 1y77 s LYS 145 Cb 0.04 -3.56 0.44 0.00 -0.52 0.00 0.00 37.83 34.24 1y77 s LYS 145 CO 0.85 -0.64 1.20 -1.33 -0.92 0.00 0.00 175.35 174.51 1y77 n MET 146 N 5.36 2.61 -3.71 1.68 2.81 -1.26 -4.97 117.12 119.65 1y77 n MET 146 Ca 0.14 -3.74 -0.13 0.00 -1.81 0.00 0.00 57.70 52.16 1y77 n MET 146 Cb 0.42 -1.95 -0.13 0.00 -0.71 0.00 0.00 33.22 30.85 1y77 n MET 146 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1y77 s VAL 147 N -3.92 -0.15 -1.18 2.03 1.01 -1.26 -1.16 120.40 115.76 1y77 s VAL 147 Ca 0.45 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.41 1y77 s VAL 147 Cb 0.39 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 36.39 1y77 s VAL 147 CO -0.01 0.08 1.75 0.00 0.00 0.00 0.00 175.10 176.91 1y77 n GLU 149 N 8.51 0.86 -0.04 0.00 1.02 -1.26 -4.18 120.64 125.56 1y77 n GLU 149 Ca 0.44 0.31 -0.05 0.00 -0.02 0.00 0.00 57.16 57.84 1y77 n GLU 149 Cb 0.47 -1.64 -0.04 0.00 -0.02 0.00 0.00 31.44 30.21 1y77 n GLU 149 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1y77 n THR 150 N -0.40 0.45 -4.33 2.62 -1.04 -1.26 -4.81 114.28 105.50 1y77 n THR 150 Ca 0.11 -0.21 -0.19 0.00 -2.04 0.00 0.00 64.05 61.72 1y77 n THR 150 Cb 0.36 -0.80 -0.15 0.00 -1.82 0.00 0.00 70.33 67.91 1y77 n THR 150 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 1y77 s ASP 151 N -4.37 1.08 0.06 8.00 1.01 -1.26 -3.09 116.67 118.10 1y77 s ASP 151 Ca -0.08 -0.16 0.03 0.00 0.71 0.00 0.00 52.55 53.05 1y77 s ASP 151 Cb 0.02 -0.27 -0.03 0.00 1.01 0.00 0.00 42.92 43.66 1y77 s ASP 151 CO 0.21 0.06 -0.09 -0.69 0.21 0.00 0.00 175.17 174.87 1y77 s VAL 152 N 0.16 0.72 -0.54 -1.27 1.01 -0.80 -4.90 120.40 114.77 1y77 s VAL 152 Ca -0.02 -1.35 -0.27 0.00 0.00 0.00 0.00 61.98 60.34 1y77 s VAL 152 Cb -0.07 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 1y77 s VAL 152 CO 0.00 -0.47 1.76 -2.16 0.00 0.00 0.00 175.10 174.23 1y77 s PRO 153 N -2.18 2.92 0.00 2.72 0.04 -1.26 -2.04 135.00 135.20 1y77 s PRO 153 Ca -0.03 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.78 1y77 s PRO 153 Cb -0.06 -4.29 0.00 0.00 0.04 0.00 0.00 34.50 30.18 1y77 s PRO 153 CO -0.00 -2.38 0.00 -1.13 0.04 0.00 0.00 177.00 173.53 1y77 n SER 154 N 11.58 -1.01 0.00 6.66 3.41 -1.26 -4.77 113.62 128.22 1y77 n SER 154 Ca 0.19 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.86 1y77 n SER 154 Cb 0.50 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.80 1y77 n SER 154 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1y77 n GLU 155 N -1.01 0.50 0.00 4.33 1.02 -1.26 -4.58 120.64 119.64 1y77 n GLU 155 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1y77 n GLU 155 Cb 0.00 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1y77 n GLU 155 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1y77 n ASP 156 N -0.87 0.00 -4.76 1.62 8.00 -1.26 -5.08 116.55 114.19 1y77 n ASP 156 Ca 0.09 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.20 1y77 n ASP 156 Cb 0.04 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.08 1y77 n ASP 156 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1y77 s ASP 157 N -0.18 7.04 0.00 -2.24 1.01 -1.26 -4.92 116.67 116.11 1y77 s ASP 157 Ca 0.00 1.24 0.19 0.00 0.71 0.00 0.00 52.55 54.69 1y77 s ASP 157 Cb 0.00 -2.39 0.90 0.00 1.01 0.00 0.00 42.92 42.44 1y77 s ASP 157 CO 0.00 0.10 1.60 -0.81 0.21 0.00 0.00 175.17 176.27 1y77 n PRO 158 N 2.63 0.15 0.05 8.23 -0.04 -1.26 -2.33 135.00 142.42 1y77 n PRO 158 Ca -0.06 0.14 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1y77 n PRO 158 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 1y77 n PRO 158 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1y77 h THR 159 N 0.00 0.84 -3.32 0.52 2.02 -1.99 -3.45 112.91 107.54 1y77 h THR 159 Ca 0.00 -1.17 -0.53 0.00 0.77 0.00 0.00 66.41 65.48 1y77 h THR 159 Cb 0.25 1.43 0.01 0.00 -1.74 0.00 0.00 68.15 68.10 1y77 h THR 159 CO 0.00 0.23 0.56 -1.10 0.37 0.00 0.00 175.52 175.58 1y77 s GLN 160 N -3.29 4.46 -0.20 6.66 -0.21 -0.99 -5.04 119.66 121.06 1y77 s GLN 160 Ca -0.12 1.82 -0.01 0.00 0.02 0.00 0.00 55.36 57.07 1y77 s GLN 160 Cb 0.00 -3.29 0.01 0.00 1.00 0.00 0.00 33.01 30.73 1y77 s GLN 160 CO 0.46 -0.18 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.81 1y77 s LEU 161 N 0.46 2.51 0.31 2.90 1.43 -1.26 -4.17 118.68 120.85 1y77 s LEU 161 Ca 0.56 -0.60 -0.07 0.00 -1.03 0.00 0.00 54.13 52.99 1y77 s LEU 161 Cb -0.31 -1.58 -0.06 0.00 0.03 0.00 0.00 46.19 44.27 1y77 s LEU 161 CO 0.32 -0.02 0.61 -0.69 0.23 0.00 0.00 176.35 176.80 1y77 s VAL 162 N 1.35 4.95 0.00 -1.59 1.01 -0.86 -4.89 120.40 120.36 1y77 s VAL 162 Ca 0.04 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.33 1y77 s VAL 162 Cb -0.14 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.49 1y77 s VAL 162 CO -0.09 -0.33 -0.07 -0.94 0.00 0.00 0.00 175.10 173.67 1y77 s SER 163 N -3.03 4.57 0.00 3.32 1.04 -1.26 -1.91 113.70 116.44 1y77 s SER 163 Ca 0.46 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1y77 s SER 163 Cb -0.11 -1.05 0.00 0.00 0.10 0.00 0.00 66.02 64.96 1y77 s SER 163 CO 0.29 0.28 0.00 -2.11 0.98 0.00 0.00 173.24 172.68 1y77 n ARG 164 N 1.58 0.00 -1.65 4.02 1.85 -1.18 -5.03 116.66 116.25 1y77 n ARG 164 Ca -0.16 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.38 1y77 n ARG 164 Cb 0.52 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.98 1y77 n ARG 164 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1y77 s GLY 165 N 0.00 1.80 0.17 2.89 0.00 -1.26 -5.04 107.32 105.88 1y77 s GLY 165 Ca 0.00 0.20 0.10 0.00 0.00 0.00 0.00 44.72 45.03 1y77 s GLY 165 CO 0.00 0.52 -0.23 -0.32 0.00 0.00 0.00 173.10 173.07 1y77 s GLY 166 N -3.44 1.59 0.00 0.20 0.00 -1.26 -4.59 107.32 99.82 1y77 s GLY 166 Ca 0.60 -1.56 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1y77 s GLY 166 CO 0.50 -1.58 0.00 0.00 0.00 0.00 0.00 173.10 172.02 1y77 n GLY 168 N 0.00 1.09 3.42 0.00 0.00 -1.26 -4.74 105.19 103.70 1y77 n GLY 168 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 1y77 n GLY 168 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y77 n ASN 169 N -0.02 1.76 -3.25 1.61 3.02 -1.26 -4.34 115.26 112.79 1y77 n ASN 169 Ca 0.00 0.37 -0.31 0.00 -0.03 0.00 0.00 54.58 54.61 1y77 n ASN 169 Cb 0.20 -1.20 -0.00 0.00 -0.61 0.00 0.00 39.78 38.17 1y77 n ASN 169 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1y77 n THR 170 N 7.17 0.41 -3.61 3.41 -1.04 -1.26 -4.51 114.28 114.85 1y77 n THR 170 Ca 0.45 -0.38 -0.36 0.00 -2.04 0.00 0.00 64.05 61.72 1y77 n THR 170 Cb 0.19 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.62 1y77 n THR 170 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1y77 s GLN 171 N -0.76 4.15 0.03 -2.82 -0.21 -0.31 -4.94 119.66 114.81 1y77 s GLN 171 Ca 0.45 -0.11 -0.20 0.00 0.02 0.00 0.00 55.36 55.51 1y77 s GLN 171 Cb -0.47 -3.49 -0.06 0.00 1.00 0.00 0.00 33.01 30.00 1y77 s GLN 171 CO 0.48 0.14 0.60 -1.25 -2.12 0.00 0.00 175.29 173.13 1y77 s PRO 172 N 0.82 4.29 0.77 2.91 0.04 -1.26 -4.71 135.00 137.86 1y77 s PRO 172 Ca 0.11 0.76 -0.11 0.00 0.04 0.00 0.00 61.00 61.81 1y77 s PRO 172 Cb -0.13 -3.30 0.05 0.00 0.04 0.00 0.00 34.50 31.16 1y77 s PRO 172 CO 0.03 0.47 1.08 0.99 0.04 0.00 0.00 177.00 179.62 1y77 s THR 173 N -0.56 3.43 0.04 1.26 2.01 -1.23 -4.86 115.64 115.74 1y77 s THR 173 Ca 0.31 0.47 0.01 0.00 0.31 0.00 0.00 61.69 62.79 1y77 s THR 173 Cb -0.19 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 1y77 s THR 173 CO 0.18 -0.61 -0.06 -0.63 -0.69 0.00 0.00 174.62 172.81 1y77 s ILE 174 N -2.97 0.44 0.08 1.82 1.01 -1.26 -3.26 121.20 117.06 1y77 s ILE 174 Ca 0.60 -1.16 0.02 0.00 0.00 0.00 0.00 60.65 60.12 1y77 s ILE 174 Cb -0.16 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.60 1y77 s ILE 174 CO 0.56 -0.49 -0.08 0.00 0.00 0.00 0.00 174.94 174.93 1y77 s ARG 175 N -1.89 0.73 -0.29 2.79 1.70 -0.41 -5.02 118.95 116.56 1y77 s ARG 175 Ca -0.08 -1.10 -0.15 0.00 -0.47 0.00 0.00 55.73 53.93 1y77 s ARG 175 Cb -0.08 -0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 33.97 1y77 s ARG 175 CO -0.01 0.03 0.35 0.21 -1.08 0.00 0.00 175.30 174.79 1y77 s LYS 176 N -2.84 3.87 -0.22 3.89 2.20 -1.26 -2.63 119.74 122.75 1y77 s LYS 176 Ca 0.03 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 1y77 s LYS 176 Cb -0.02 -3.70 0.05 0.00 -1.51 0.00 0.00 37.83 32.65 1y77 s LYS 176 CO -0.02 -0.34 -0.10 0.34 -0.36 0.00 0.00 175.35 174.86 1y77 s ASP 177 N 1.69 3.71 1.25 1.43 -1.08 -0.98 -5.04 116.67 117.65 1y77 s ASP 177 Ca 0.13 -1.04 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 1y77 s ASP 177 Cb -0.16 -1.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.98 1y77 s ASP 177 CO 0.11 -0.16 0.00 0.61 0.52 0.00 0.00 175.17 176.25 1y77 n GLY 178 N 4.62 3.24 1.88 2.66 0.00 -1.26 -1.01 105.19 115.30 1y77 n GLY 178 Ca -0.15 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1y77 n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y77 n LEU 179 N 0.00 5.88 -4.14 0.99 4.77 -1.26 -4.95 117.00 118.28 1y77 n LEU 179 Ca 0.00 -3.48 -0.15 0.00 -0.03 0.00 0.00 56.01 52.35 1y77 n LEU 179 Cb 0.00 -0.75 -0.11 0.00 -2.33 0.00 0.00 43.42 40.22 1y77 n LEU 179 CO 0.00 0.99 -0.42 -0.54 -1.33 0.00 0.00 177.39 176.09 1y77 s LYS 180 N -3.17 0.74 -0.17 3.23 1.02 -0.18 -4.95 119.74 116.26 1y77 s LYS 180 Ca 0.53 -0.99 -0.06 0.00 0.02 0.00 0.00 55.97 55.47 1y77 s LYS 180 Cb 0.45 -0.52 -0.04 0.00 -0.52 0.00 0.00 37.83 37.20 1y77 s LYS 180 CO 0.10 0.09 0.05 -0.51 -0.92 0.00 0.00 175.35 174.16 1y77 s LEU 181 N -2.03 3.76 0.07 3.17 1.43 -1.26 -2.32 118.68 121.51 1y77 s LEU 181 Ca -0.01 0.08 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 1y77 s LEU 181 Cb -0.07 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1y77 s LEU 181 CO 0.01 0.20 -0.15 -0.69 0.23 0.00 0.00 176.35 175.95 1y77 s VAL 182 N 0.19 1.15 0.02 -1.59 1.01 -1.08 -1.57 120.40 118.53 1y77 s VAL 182 Ca 0.04 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.51 1y77 s VAL 182 Cb -0.12 -1.10 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1y77 s VAL 182 CO 0.01 -0.22 0.40 -0.83 0.00 0.00 0.00 175.10 174.46 1y77 s GLY 183 N -1.76 -0.25 0.22 4.51 0.00 -1.25 -1.29 107.32 107.51 1y77 s GLY 183 Ca -0.01 0.35 0.06 0.00 0.00 0.00 0.00 44.72 45.12 1y77 s GLY 183 CO 0.02 0.10 0.21 -1.35 0.00 0.00 0.00 173.10 172.09 1y77 s SER 184 N -1.79 5.68 -0.31 1.64 1.04 -1.20 -3.65 113.70 115.10 1y77 s SER 184 Ca -0.08 -0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.21 1y77 s SER 184 Cb -0.02 -1.50 0.09 0.00 0.10 0.00 0.00 66.02 64.69 1y77 s SER 184 CO 0.00 -0.01 0.06 0.26 0.98 0.00 0.00 173.24 174.54 1y77 s TRP 185 N -1.99 2.42 0.10 5.02 0.51 -1.20 -3.51 118.94 120.28 1y77 s TRP 185 Ca 0.33 -2.12 0.07 0.00 -2.12 0.00 0.00 56.10 52.25 1y77 s TRP 185 Cb -0.09 -2.07 -0.04 0.00 -0.81 0.00 0.00 33.47 30.47 1y77 s TRP 185 CO 0.25 -0.88 -0.08 0.21 -0.51 0.00 0.00 176.95 175.94 1y77 s LYS 186 N 1.37 2.21 0.48 4.98 2.20 -1.26 -3.89 119.74 125.83 1y77 s LYS 186 Ca 0.08 -0.99 -0.13 0.00 -0.36 0.00 0.00 55.97 54.57 1y77 s LYS 186 Cb -0.18 -2.35 -0.07 0.00 -1.51 0.00 0.00 37.83 33.72 1y77 s LYS 186 CO -0.17 0.51 0.89 -0.51 -0.36 0.00 0.00 175.35 175.72 1y77 s ASP 195 N -2.22 6.53 0.00 1.43 1.01 -1.26 -5.03 116.67 117.13 1y77 s ASP 195 Ca 0.22 1.35 0.00 0.00 0.71 0.00 0.00 52.55 54.84 1y77 s ASP 195 Cb -0.11 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.40 1y77 s ASP 195 CO 0.15 -0.53 0.00 1.21 0.21 0.00 0.00 175.17 176.20 1y77 n GLU 196 N -1.59 0.00 -1.03 8.23 2.13 -1.26 -5.08 120.64 122.05 1y77 n GLU 196 Ca 0.05 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.59 1y77 n GLU 196 Cb 0.54 0.00 0.23 0.00 0.27 0.00 0.00 31.44 32.48 1y77 n GLU 196 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1y77 n PRO 197 N -0.63 -2.84 -3.42 5.31 -0.04 -1.26 -4.98 135.00 127.14 1y77 n PRO 197 Ca 0.00 -1.64 -0.21 0.00 -0.04 0.00 0.00 63.50 61.61 1y77 n PRO 197 Cb 0.00 -1.49 -0.10 0.00 -0.04 0.00 0.00 33.50 31.87 1y77 n PRO 197 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1y77 s GLU 198 N -5.32 0.41 -0.41 0.54 2.02 -1.25 -4.89 118.70 109.79 1y77 s GLU 198 Ca 0.66 -0.56 -0.18 0.00 0.02 0.00 0.00 54.97 54.91 1y77 s GLU 198 Cb -0.06 -0.86 0.02 0.00 0.10 0.00 0.00 34.13 33.33 1y77 s GLU 198 CO 0.50 -1.10 0.50 -0.51 0.02 0.00 0.00 175.26 174.68 1y77 s LEU 199 N 1.90 4.66 0.13 1.80 1.43 -1.26 -3.25 118.68 124.08 1y77 s LEU 199 Ca 0.12 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 1y77 s LEU 199 Cb -0.16 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1y77 s LEU 199 CO -0.22 -0.61 -0.14 0.00 0.23 0.00 0.00 176.35 175.61 1y77 s ARG 200 N 2.36 1.05 -0.07 1.70 1.70 -1.24 -5.05 118.95 119.40 1y77 s ARG 200 Ca 0.16 -1.26 -0.28 0.00 -0.47 0.00 0.00 55.73 53.89 1y77 s ARG 200 Cb -0.16 -0.95 -0.02 0.00 -0.57 0.00 0.00 34.95 33.25 1y77 s ARG 200 CO 0.15 0.18 0.91 0.08 -1.08 0.00 0.00 175.30 175.54 1y77 s VAL 201 N -2.13 4.88 -0.63 4.99 1.01 -1.26 -3.75 120.40 123.51 1y77 s VAL 201 Ca 0.10 1.86 -0.28 0.00 0.00 0.00 0.00 61.98 63.66 1y77 s VAL 201 Cb -0.05 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 32.13 1y77 s VAL 201 CO 0.03 0.11 1.28 -0.76 0.00 0.00 0.00 175.10 175.77 1y77 s LEU 202 N 1.45 3.34 0.22 3.92 1.43 -0.61 -4.99 118.68 123.45 1y77 s LEU 202 Ca 0.46 -0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.22 1y77 s LEU 202 Cb -0.19 -2.93 -0.09 0.00 0.03 0.00 0.00 46.19 43.01 1y77 s LEU 202 CO 0.20 -1.67 1.36 -0.94 0.23 0.00 0.00 176.35 175.53 1y77 s SER 203 N 3.63 6.80 0.16 2.29 1.04 -1.26 -4.55 113.70 121.82 1y77 s SER 203 Ca 0.43 2.51 -0.24 0.00 0.48 0.00 0.00 55.95 59.12 1y77 s SER 203 Cb -0.08 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.46 1y77 s SER 203 CO 0.22 -0.59 1.58 0.74 0.98 0.00 0.00 173.24 176.17 1y77 h THR 204 N 3.64 0.16 -1.56 2.02 2.02 -1.94 0.35 112.91 117.60 1y77 h THR 204 Ca -0.45 0.00 0.45 0.00 0.77 0.00 0.00 66.41 67.18 1y77 h THR 204 Cb 1.22 0.16 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1y77 h THR 204 CO 0.77 0.00 1.33 -0.33 0.37 0.00 0.00 175.52 177.66 1y77 h GLU 205 N -0.27 0.00 0.00 6.66 5.08 -1.91 0.28 114.58 124.42 1y77 h GLU 205 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1y77 h GLU 205 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1y77 h GLU 205 CO -0.58 0.00 -0.06 1.49 -1.00 0.00 0.00 179.01 178.86 1y77 h GLU 206 N 0.00 0.00 -0.88 2.33 4.81 -0.68 -3.32 114.58 116.83 1y77 h GLU 206 Ca 0.74 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 60.05 1y77 h GLU 206 Cb 3.39 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 32.66 1y77 h GLU 206 CO -0.01 0.00 -0.52 -0.89 -0.73 0.00 0.00 179.01 176.86 1y77 n ILE 207 N -3.71 -0.60 -0.16 2.32 2.08 0.00 -0.26 119.36 119.04 1y77 n ILE 207 Ca -0.01 2.29 -0.04 0.00 0.56 0.00 0.00 62.75 65.55 1y77 n ILE 207 Cb 0.03 -2.85 -0.04 0.00 -0.75 0.00 0.00 39.64 36.04 1y77 n ILE 207 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 1y77 n LEU 208 N -4.98 -0.41 0.00 1.39 0.00 -0.69 -1.56 117.00 110.74 1y77 n LEU 208 Ca 0.02 1.00 0.00 0.00 0.00 0.00 0.00 56.01 57.03 1y77 n LEU 208 Cb 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 43.42 43.40 1y77 n LEU 208 CO -0.14 -0.72 0.46 -3.20 0.00 0.00 0.00 177.39 173.79 1y77 n ASN 209 N -3.90 0.00 -0.51 1.96 2.85 0.64 -0.34 115.26 115.96 1y77 n ASN 209 Ca 0.01 0.91 0.42 0.00 -0.11 0.00 0.00 54.58 55.81 1y77 n ASN 209 Cb 0.10 -0.41 0.68 0.00 1.24 0.00 0.00 39.78 41.38 1y77 n ASN 209 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1y77 n ILE 210 N -2.52 -0.17 -0.04 -1.44 5.41 -0.60 0.14 119.36 120.14 1y77 n ILE 210 Ca 0.00 1.61 -0.13 0.00 1.00 0.00 0.00 62.75 65.23 1y77 n ILE 210 Cb 0.00 -2.64 -0.11 0.00 -0.71 0.00 0.00 39.64 36.18 1y77 n ILE 210 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1y77 h PHE 211 N 0.00 -0.02 -1.00 1.39 -1.00 0.25 -2.82 116.94 113.74 1y77 h PHE 211 Ca 0.85 -0.00 0.29 0.00 2.81 0.00 0.00 57.97 61.92 1y77 h PHE 211 Cb 2.94 0.01 -0.14 0.00 3.61 0.00 0.00 35.95 42.37 1y77 h PHE 211 CO -0.00 0.74 0.57 0.87 -1.61 0.00 0.00 178.31 178.87 1y77 h LYS 212 N -0.84 0.40 0.00 1.51 1.57 0.41 0.25 116.57 119.87 1y77 h LYS 212 Ca -0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1y77 h LYS 212 Cb 0.77 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 1y77 h LYS 212 CO 0.00 0.26 -0.29 0.45 -0.57 0.00 0.00 179.45 179.31 1y77 h HIS 213 N 0.41 0.00 -2.30 -1.35 3.86 -1.20 -3.47 115.15 111.10 1y77 h HIS 213 Ca 0.70 0.00 -0.61 0.00 -1.16 0.00 0.00 60.37 59.30 1y77 h HIS 213 Cb 1.51 0.00 0.14 0.00 1.06 0.00 0.00 27.41 30.11 1y77 h HIS 213 CO -0.01 0.29 -0.30 -0.89 0.86 0.00 0.00 177.93 177.87 1y77 n ILE 214 N -3.21 1.86 -2.21 2.45 5.41 0.88 -4.90 119.36 119.66 1y77 n ILE 214 Ca 0.02 -0.50 -0.34 0.00 1.00 0.00 0.00 62.75 62.94 1y77 n ILE 214 Cb 0.61 -0.60 -0.00 0.00 -0.71 0.00 0.00 39.64 38.94 1y77 n ILE 214 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 1y77 s SER 215 N -0.89 5.87 0.17 4.38 1.04 -1.26 -4.84 113.70 118.17 1y77 s SER 215 Ca 0.63 1.93 -0.15 0.00 0.48 0.00 0.00 55.95 58.84 1y77 s SER 215 Cb -0.64 -2.55 0.09 0.00 0.10 0.00 0.00 66.02 63.02 1y77 s SER 215 CO 0.58 -1.10 1.77 0.58 0.98 0.00 0.00 173.24 176.05 1y77 h VAL 216 N 0.87 0.95 0.00 5.02 2.07 -1.98 0.57 116.25 123.74 1y77 h VAL 216 Ca -0.48 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1y77 h VAL 216 Cb 1.23 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1y77 h VAL 216 CO 0.57 0.07 0.00 0.29 0.02 0.00 0.00 177.57 178.53 1y77 n LYS 217 N -4.94 0.01 0.04 1.57 5.02 -1.26 -2.64 118.16 115.97 1y77 n LYS 217 Ca 0.02 0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.19 1y77 n LYS 217 Cb 0.12 -1.51 -0.14 0.00 -0.02 0.00 0.00 35.03 33.47 1y77 n LYS 217 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1y77 h ASP 218 N 0.00 0.49 0.00 4.39 3.32 -1.01 -2.10 116.42 121.51 1y77 h ASP 218 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 1y77 h ASP 218 Cb 0.42 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1y77 h ASP 218 CO 0.00 1.58 0.00 0.49 -1.72 0.00 0.00 179.24 179.59 1y77 n PHE 219 N -3.93 0.00 -0.35 4.55 0.99 0.17 -1.62 117.46 117.27 1y77 n PHE 219 Ca -0.21 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.30 1y77 n PHE 219 Cb 0.92 -0.06 0.13 0.00 -1.00 0.00 0.00 39.48 39.47 1y77 n PHE 219 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 1y77 n THR 220 N -1.05 -0.41 -0.33 4.37 -1.04 -1.15 0.13 114.28 114.80 1y77 n THR 220 Ca 0.00 2.20 0.14 0.00 -2.04 0.00 0.00 64.05 64.34 1y77 n THR 220 Cb 0.00 -3.04 0.32 0.00 -1.82 0.00 0.00 70.33 65.79 1y77 n THR 220 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y77 h SER 221 N 0.00 0.56 -3.74 8.00 4.64 -1.12 -3.37 113.55 118.52 1y77 h SER 221 Ca 0.46 0.13 -0.49 0.00 -0.47 0.00 0.00 61.79 61.41 1y77 h SER 221 Cb 0.70 0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.84 1y77 h SER 221 CO -0.99 0.12 0.14 -0.76 -0.87 0.00 0.00 176.83 174.47 1y77 s LEU 222 N -10.39 3.81 -1.09 5.97 1.43 0.34 -4.64 118.68 114.11 1y77 s LEU 222 Ca -0.11 1.17 -0.26 0.00 -1.03 0.00 0.00 54.13 53.89 1y77 s LEU 222 Cb 0.25 -4.05 -0.22 0.00 0.03 0.00 0.00 46.19 42.20 1y77 s LEU 222 CO 0.79 -0.41 2.08 0.61 0.23 0.00 0.00 176.35 179.65 1y77 n GLY 223 N -1.31 -0.23 0.00 -3.19 0.00 -1.26 -4.79 105.19 94.41 1y77 n GLY 223 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1y77 n GLY 223 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1y77 n PHE 224 N 19.10 -0.07 -3.26 1.61 3.01 -1.25 -4.48 117.46 132.12 1y77 n PHE 224 Ca 0.42 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.84 1y77 n PHE 224 Cb 0.47 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 39.89 1y77 n PHE 224 CO 0.00 0.00 0.00 1.21 1.01 0.00 0.00 176.76 178.98 1y77 s ASN 225 N -0.90 -0.46 0.39 4.37 2.47 -0.87 -4.55 114.94 115.38 1y77 s ASN 225 Ca 0.00 0.39 0.32 0.00 0.42 0.00 0.00 52.86 54.00 1y77 s ASN 225 Cb 0.00 1.56 1.28 0.00 -1.45 0.00 0.00 41.25 42.64 1y77 s ASN 225 CO 0.00 -0.29 1.24 1.21 -3.72 0.00 0.00 177.10 175.54 1y77 n GLU 226 N 5.39 -0.02 -0.12 0.43 2.13 -1.26 -1.06 120.64 126.14 1y77 n GLU 226 Ca -0.02 0.94 -0.16 0.00 0.66 0.00 0.00 57.16 58.58 1y77 n GLU 226 Cb 0.51 -1.98 -0.12 0.00 0.27 0.00 0.00 31.44 30.12 1y77 n GLU 226 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1y77 n VAL 227 N -3.94 1.39 -0.09 6.31 0.31 -1.26 -4.75 118.33 116.29 1y77 n VAL 227 Ca 0.34 -0.58 -0.09 0.00 -0.01 0.00 0.00 64.34 64.00 1y77 n VAL 227 Cb 1.41 -1.23 -0.16 0.00 -0.91 0.00 0.00 33.84 32.95 1y77 n VAL 227 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1y77 n PHE 228 N -3.14 0.03 -3.32 3.52 0.99 -0.89 -4.91 117.46 109.74 1y77 n PHE 228 Ca -0.42 0.01 -0.11 0.00 -0.00 0.00 0.00 57.45 56.93 1y77 n PHE 228 Cb 0.99 -0.98 -0.06 0.00 -1.00 0.00 0.00 39.48 38.43 1y77 n PHE 228 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.76 175.22 1y77 s SER 229 N -5.46 0.53 -0.08 4.37 1.04 -0.22 -0.44 113.70 113.43 1y77 s SER 229 Ca -0.10 -0.95 -0.12 0.00 0.48 0.00 0.00 55.95 55.26 1y77 s SER 229 Cb 0.06 0.96 -0.05 0.00 0.10 0.00 0.00 66.02 67.10 1y77 s SER 229 CO 0.83 -0.29 0.29 -0.13 0.98 0.00 0.00 173.24 174.92 1y77 s ARG 230 N 1.99 3.88 0.29 4.02 0.52 -1.25 -2.06 118.95 126.33 1y77 s ARG 230 Ca 0.13 0.15 0.02 0.00 -0.52 0.00 0.00 55.73 55.51 1y77 s ARG 230 Cb -0.12 -3.27 0.70 0.00 0.52 0.00 0.00 34.95 32.77 1y77 s ARG 230 CO -0.17 0.58 1.64 -1.35 0.02 0.00 0.00 175.30 176.03 1y77 h PRO 231 N 5.39 0.19 0.00 3.54 0.11 -1.93 0.12 132.00 139.42 1y77 h PRO 231 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1y77 h PRO 231 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1y77 h PRO 231 CO 0.65 0.12 0.14 -0.85 -0.21 0.00 0.00 178.00 177.85 1y77 n GLU 232 N -5.24 0.00 -0.00 1.05 0.28 -1.26 0.31 120.64 115.78 1y77 n GLU 232 Ca 0.21 0.15 0.10 0.00 -0.16 0.00 0.00 57.16 57.46 1y77 n GLU 232 Cb 0.68 -1.64 -0.14 0.00 1.43 0.00 0.00 31.44 31.76 1y77 n GLU 232 CO 0.00 0.00 0.00 0.91 -0.16 0.00 0.00 177.13 177.88 1y77 n TRP 233 N -1.04 0.00 0.36 -1.84 8.01 0.41 -4.05 117.44 119.28 1y77 n TRP 233 Ca 0.00 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.25 1y77 n TRP 233 Cb 0.14 -0.25 0.27 0.00 -2.01 0.00 0.00 31.31 29.46 1y77 n TRP 233 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.69 175.35 1y77 n MET 234 N -1.87 0.03 -3.73 -0.99 2.81 0.15 -4.35 117.12 109.17 1y77 n MET 234 Ca -0.00 0.35 -0.37 0.00 -1.81 0.00 0.00 57.70 55.86 1y77 n MET 234 Cb 0.44 -1.56 -0.12 0.00 -0.71 0.00 0.00 33.22 31.26 1y77 n MET 234 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1y77 s ILE 235 N -3.06 4.40 0.25 2.02 1.01 -1.26 -3.54 121.20 121.02 1y77 s ILE 235 Ca 0.05 -0.22 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1y77 s ILE 235 Cb 0.07 -3.10 -0.09 0.00 0.01 0.00 0.00 42.46 39.35 1y77 s ILE 235 CO 0.21 0.28 1.09 -0.76 0.00 0.00 0.00 174.94 175.76 1y77 s LEU 236 N 1.62 4.54 0.00 2.97 1.43 -0.21 -4.87 118.68 124.15 1y77 s LEU 236 Ca 0.06 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.36 1y77 s LEU 236 Cb -0.16 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.45 1y77 s LEU 236 CO 0.04 -0.14 0.00 0.41 0.23 0.00 0.00 176.35 176.89 1y77 n THR 237 N 1.54 0.00 -4.42 5.49 -1.04 -1.26 -1.80 114.28 112.79 1y77 n THR 237 Ca -0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.78 1y77 n THR 237 Cb 0.45 -0.19 -0.16 0.00 -1.82 0.00 0.00 70.33 68.61 1y77 n THR 237 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y77 s LEU 239 N 0.77 3.31 0.54 0.00 2.96 -1.21 -4.83 118.68 120.22 1y77 s LEU 239 Ca -0.13 -0.21 -0.20 0.00 -0.22 0.00 0.00 54.13 53.36 1y77 s LEU 239 Cb -0.15 -1.86 -0.05 0.00 0.50 0.00 0.00 46.19 44.63 1y77 s LEU 239 CO 0.02 0.02 1.22 -2.16 -1.32 0.00 0.00 176.35 174.13 1y77 s PRO 240 N 1.26 3.25 -0.57 0.98 0.04 -1.26 -1.83 135.00 136.87 1y77 s PRO 240 Ca 0.04 1.86 0.04 0.00 0.04 0.00 0.00 61.00 62.98 1y77 s PRO 240 Cb -0.15 -2.12 0.14 0.00 0.04 0.00 0.00 34.50 32.42 1y77 s PRO 240 CO 0.02 -0.99 0.33 0.08 0.04 0.00 0.00 177.00 176.48 1y77 s VAL 241 N -1.55 2.48 -0.10 -0.36 1.01 0.73 -4.89 120.40 117.72 1y77 s VAL 241 Ca 0.72 -3.52 -0.35 0.00 0.00 0.00 0.00 61.98 58.84 1y77 s VAL 241 Cb -0.31 -2.69 -0.17 0.00 0.00 0.00 0.00 36.38 33.22 1y77 s VAL 241 CO 0.35 -0.89 0.99 -0.81 0.00 0.00 0.00 175.10 174.75 1y77 n PRO 242 N 2.79 0.00 -2.62 2.72 -0.04 -1.26 -2.80 135.00 133.79 1y77 n PRO 242 Ca 0.11 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.22 1y77 n PRO 242 Cb 0.34 -1.24 -0.04 0.00 -0.04 0.00 0.00 33.50 32.51 1y77 n PRO 242 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1y77 s PRO 243 N 0.63 4.00 0.00 0.54 0.04 -1.26 -4.81 135.00 134.14 1y77 s PRO 243 Ca 0.78 1.34 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1y77 s PRO 243 Cb -1.10 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 31.22 1y77 s PRO 243 CO 0.52 -0.26 0.00 -0.35 0.04 0.00 0.00 177.00 176.95 1y77 n PRO 244 N -0.66 0.00 0.25 0.56 -0.04 -1.26 -0.03 135.00 133.82 1y77 n PRO 244 Ca 0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 1y77 n PRO 244 Cb 0.52 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.02 1y77 n PRO 244 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1y77 n PRO 245 N -1.26 0.03 0.02 0.54 -0.02 -1.26 0.27 135.00 133.31 1y77 n PRO 245 Ca 0.00 0.87 -0.10 0.00 -2.02 0.00 0.00 63.50 62.25 1y77 n PRO 245 Cb 0.00 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.02 1y77 n PRO 245 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1y77 h VAL 246 N 0.00 1.15 -2.08 -1.45 2.07 -0.78 -3.38 116.25 111.78 1y77 h VAL 246 Ca 0.05 -2.92 -0.53 0.00 0.82 0.00 0.00 66.70 64.11 1y77 h VAL 246 Cb 1.90 2.60 -0.40 0.00 -1.52 0.00 0.00 31.29 33.87 1y77 h VAL 246 CO -0.00 0.70 -1.01 -2.11 0.02 0.00 0.00 177.57 175.17 1y77 n ARG 247 N -3.21 1.53 -1.06 1.57 1.85 0.77 -5.04 116.66 113.06 1y77 n ARG 247 Ca -0.12 -3.77 -0.30 0.00 -1.00 0.00 0.00 57.85 52.66 1y77 n ARG 247 Cb 1.02 -1.76 0.23 0.00 -1.05 0.00 0.00 32.46 30.89 1y77 n ARG 247 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1y77 s PRO 248 N -2.37 -0.89 0.00 2.89 0.04 0.79 -4.64 135.00 130.82 1y77 s PRO 248 Ca 0.41 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.55 1y77 s PRO 248 Cb 0.28 -1.62 0.00 0.00 0.04 0.00 0.00 34.50 33.20 1y77 s PRO 248 CO -0.09 -3.53 0.00 -1.13 0.04 0.00 0.00 177.00 172.29 1y77 n SER 249 N -4.66 0.00 -3.13 6.66 3.41 -1.26 -3.78 113.62 110.86 1y77 n SER 249 Ca 0.11 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.77 1y77 n SER 249 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 1y77 n SER 249 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1y77 s ILE 250 N 3.06 -0.12 -0.01 -1.33 1.01 -0.89 -4.86 121.20 118.06 1y77 s ILE 250 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.53 1y77 s ILE 250 Cb 0.00 -0.12 -0.05 0.00 0.01 0.00 0.00 42.46 42.30 1y77 s ILE 250 CO 0.00 0.00 0.35 -0.94 0.00 0.00 0.00 174.94 174.35 1y77 s SER 251 N 2.93 6.70 -0.87 3.58 1.04 -1.26 -3.79 113.70 122.03 1y77 s SER 251 Ca 0.30 0.84 0.01 0.00 0.48 0.00 0.00 55.95 57.58 1y77 s SER 251 Cb -0.00 -2.20 0.32 0.00 0.10 0.00 0.00 66.02 64.23 1y77 s SER 251 CO -0.22 0.32 1.43 0.49 0.98 0.00 0.00 173.24 176.23 1y77 n PHE 252 N 1.70 3.15 0.00 5.02 3.01 -1.26 -4.93 117.46 124.15 1y77 n PHE 252 Ca -0.14 -3.12 0.00 0.00 1.01 0.00 0.00 57.45 55.20 1y77 n PHE 252 Cb 0.53 -0.94 0.00 0.00 -0.01 0.00 0.00 39.48 39.05 1y77 n PHE 252 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1y77 n ASN 253 N 0.17 0.00 0.00 4.37 3.02 -1.26 -4.69 115.26 116.87 1y77 n ASN 253 Ca 0.38 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.93 1y77 n ASN 253 Cb 0.32 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 1y77 n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1y77 n GLU 254 N 0.00 0.00 -0.85 3.52 1.02 -1.26 -5.00 120.64 118.07 1y77 n GLU 254 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1y77 n GLU 254 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1y77 n GLU 254 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1y77 n SER 255 N 0.00 -0.67 0.00 1.62 3.41 -1.26 -4.49 113.62 112.23 1y77 n SER 255 Ca 0.00 -0.60 0.00 0.00 -0.26 0.00 0.00 58.87 58.01 1y77 n SER 255 Cb 0.00 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 1y77 n SER 255 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y77 n GLN 256 N 3.47 0.00 0.00 4.33 6.02 -1.26 -5.11 117.38 124.82 1y77 n GLN 256 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 1y77 n GLN 256 Cb 0.19 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.45 1y77 n GLN 256 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1y77 n ARG 257 N 0.00 0.00 0.00 -1.09 1.74 -1.26 -5.03 116.66 111.01 1y77 n ARG 257 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1y77 n ARG 257 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1y77 n ARG 257 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y77 n GLY 258 N 2.48 1.56 3.75 -0.13 0.00 -1.25 -4.38 105.19 107.22 1y77 n GLY 258 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1y77 n GLY 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y77 s GLU 259 N -0.12 3.19 0.38 1.61 0.41 -1.26 -2.09 118.70 120.82 1y77 s GLU 259 Ca 0.00 2.04 -0.22 0.00 -0.41 0.00 0.00 54.97 56.38 1y77 s GLU 259 Cb 0.00 -2.19 -0.10 0.00 -1.78 0.00 0.00 34.13 30.06 1y77 s GLU 259 CO 0.00 -1.09 0.91 0.34 -0.49 0.00 0.00 175.26 174.93 1y77 s ASP 260 N -1.20 7.04 0.20 -0.19 -1.08 -1.25 -4.95 116.67 115.23 1y77 s ASP 260 Ca 0.72 1.67 -0.17 0.00 -0.52 0.00 0.00 52.55 54.24 1y77 s ASP 260 Cb -0.36 -2.52 0.18 0.00 -1.46 0.00 0.00 42.92 38.75 1y77 s ASP 260 CO 0.41 -0.24 1.60 0.44 0.52 0.00 0.00 175.17 177.91 1y77 h ASP 261 N 2.39 -0.89 -0.08 -0.34 3.32 -1.94 -1.98 116.42 116.89 1y77 h ASP 261 Ca -0.48 0.21 0.04 0.00 0.02 0.00 0.00 57.03 56.81 1y77 h ASP 261 Cb 1.18 0.49 -0.06 0.00 0.22 0.00 0.00 39.33 41.16 1y77 h ASP 261 CO 0.63 -0.27 -0.43 -0.07 -1.72 0.00 0.00 179.24 177.38 1y77 h LEU 262 N -0.10 -1.35 0.00 1.55 3.38 -1.94 0.13 115.31 116.99 1y77 h LEU 262 Ca 0.26 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1y77 h LEU 262 Cb 0.52 0.54 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1y77 h LEU 262 CO -0.66 -0.45 0.07 0.41 0.09 0.00 0.00 178.44 177.90 1y77 n THR 263 N -5.44 0.17 -0.10 0.22 -1.04 -0.75 -1.16 114.28 106.18 1y77 n THR 263 Ca -0.05 0.11 -0.18 0.00 -2.04 0.00 0.00 64.05 61.89 1y77 n THR 263 Cb 0.37 -1.11 -0.06 0.00 -1.82 0.00 0.00 70.33 67.71 1y77 n THR 263 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1y77 n PHE 264 N -0.80 0.00 0.28 -1.42 0.99 0.46 -3.50 117.46 113.47 1y77 n PHE 264 Ca 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 57.45 57.63 1y77 n PHE 264 Cb 0.07 -0.67 0.88 0.00 -1.00 0.00 0.00 39.48 38.76 1y77 n PHE 264 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.76 177.63 1y77 h LYS 265 N -0.88 0.00 0.00 -1.08 6.56 -1.07 1.18 116.57 121.28 1y77 h LYS 265 Ca -0.33 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.26 1y77 h LYS 265 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 1y77 h LYS 265 CO -0.20 0.00 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.11 1y77 h LEU 266 N 0.00 0.01 -0.77 2.94 3.38 -1.68 0.08 115.31 119.26 1y77 h LEU 266 Ca 0.04 -0.87 0.18 0.00 0.09 0.00 0.00 57.88 57.32 1y77 h LEU 266 Cb 0.57 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.19 1y77 h LEU 266 CO -0.00 0.87 0.14 0.00 0.09 0.00 0.00 178.44 179.55 1y77 h ALA 267 N 0.13 0.97 -0.49 1.53 0.00 0.90 0.36 119.26 122.68 1y77 h ALA 267 Ca -0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1y77 h ALA 267 Cb 0.88 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1y77 h ALA 267 CO 0.00 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 178.61 1y77 n ASP 268 N -5.22 0.00 -0.27 0.00 8.00 0.30 -1.66 116.55 117.70 1y77 n ASP 268 Ca 0.15 0.92 0.17 0.00 0.71 0.00 0.00 54.79 56.74 1y77 n ASP 268 Cb 0.51 -0.42 0.32 0.00 -0.02 0.00 0.00 41.12 41.51 1y77 n ASP 268 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1y77 n ILE 269 N -1.81 -0.33 0.54 0.53 5.41 0.01 0.86 119.36 124.56 1y77 n ILE 269 Ca 0.00 1.69 -0.21 0.00 1.00 0.00 0.00 62.75 65.23 1y77 n ILE 269 Cb 0.00 -2.56 -0.10 0.00 -0.71 0.00 0.00 39.64 36.27 1y77 n ILE 269 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 1y77 h LEU 270 N 0.00 -1.16 -0.32 1.39 5.85 -0.12 -0.87 115.31 120.08 1y77 h LEU 270 Ca 0.55 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.34 1y77 h LEU 270 Cb 1.27 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 1y77 h LEU 270 CO -0.69 -0.83 -0.24 0.11 -0.34 0.00 0.00 178.44 176.45 1y77 h LYS 271 N -1.37 -0.06 0.00 1.25 1.57 0.14 0.36 116.57 118.46 1y77 h LYS 271 Ca -0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1y77 h LYS 271 Cb 1.05 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1y77 h LYS 271 CO 0.23 -0.04 0.34 0.00 -0.57 0.00 0.00 179.45 179.40 1y77 h ALA 272 N -0.53 1.24 0.04 3.86 0.00 -1.21 0.48 119.26 123.14 1y77 h ALA 272 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.73 1y77 h ALA 272 Cb 0.20 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1y77 h ALA 272 CO -0.33 -0.24 -1.26 -0.97 0.00 0.00 0.00 179.25 176.44 1y77 h ASN 273 N 0.00 0.15 -0.05 0.00 -1.24 0.12 -3.30 115.58 111.25 1y77 h ASN 273 Ca 0.00 -0.70 -0.01 0.00 0.71 0.00 0.00 56.30 56.30 1y77 h ASN 273 Cb 0.67 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.67 1y77 h ASN 273 CO 0.00 1.52 0.00 0.40 -1.29 0.00 0.00 177.43 178.06 1y77 h ILE 274 N -0.69 1.24 -0.76 2.57 2.04 0.16 -2.44 117.51 119.63 1y77 h ILE 274 Ca -0.31 -0.74 0.18 0.00 1.00 0.00 0.00 64.86 64.98 1y77 h ILE 274 Cb 1.48 1.65 -0.13 0.00 -0.74 0.00 0.00 36.82 39.08 1y77 h ILE 274 CO -0.09 0.20 0.08 0.77 0.00 0.00 0.00 178.15 179.12 1y77 h SER 275 N -0.20 -0.21 0.00 1.72 4.64 -1.42 -0.40 113.55 117.67 1y77 h SER 275 Ca 0.01 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1y77 h SER 275 Cb 0.32 0.30 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1y77 h SER 275 CO 0.00 -0.14 0.00 -0.11 -0.87 0.00 0.00 176.83 175.71 1y77 n LEU 276 N -5.28 0.00 -0.24 5.97 7.94 -1.11 -3.22 117.00 121.05 1y77 n LEU 276 Ca 0.15 0.70 -0.05 0.00 -1.11 0.00 0.00 56.01 55.70 1y77 n LEU 276 Cb 0.50 -0.20 -0.03 0.00 0.53 0.00 0.00 43.42 44.21 1y77 n LEU 276 CO 0.07 -0.20 0.30 1.21 -1.11 0.00 0.00 177.39 177.67 1y77 n GLU 277 N -1.31 -0.23 0.00 1.96 2.13 -0.80 0.21 120.64 122.60 1y77 n GLU 277 Ca 0.00 0.91 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1y77 n GLU 277 Cb 0.00 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1y77 n GLU 277 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1y77 n THR 278 N -4.78 0.00 -0.08 6.31 -1.04 -0.23 -0.28 114.28 114.17 1y77 n THR 278 Ca 0.03 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.94 1y77 n THR 278 Cb 0.18 -0.90 -0.12 0.00 -1.82 0.00 0.00 70.33 67.67 1y77 n THR 278 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1y77 n LEU 279 N -0.80 0.50 -0.19 -4.42 4.77 0.58 -3.58 117.00 113.85 1y77 n LEU 279 Ca 0.00 -0.02 0.08 0.00 -0.03 0.00 0.00 56.01 56.04 1y77 n LEU 279 Cb 0.00 0.21 0.40 0.00 -2.33 0.00 0.00 43.42 41.71 1y77 n LEU 279 CO 0.00 0.48 0.77 -0.62 -1.33 0.00 0.00 177.39 176.69 1y77 n GLU 280 N -2.69 1.24 0.00 3.23 1.02 0.61 -3.04 120.64 121.01 1y77 n GLU 280 Ca -0.28 -0.37 0.00 0.00 -0.02 0.00 0.00 57.16 56.49 1y77 n GLU 280 Cb 1.01 -1.27 0.00 0.00 -0.02 0.00 0.00 31.44 31.16 1y77 n GLU 280 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1y77 n HIS 281 N -0.37 0.00 -2.84 -0.32 8.25 -1.17 -5.01 115.22 113.76 1y77 n HIS 281 Ca 0.12 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1y77 n HIS 281 Cb 0.14 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.24 1y77 n HIS 281 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1y77 n ASN 282 N -0.08 0.71 -4.55 0.41 3.02 -1.17 -5.01 115.26 108.59 1y77 n ASN 282 Ca 0.00 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.38 1y77 n ASN 282 Cb 0.30 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.38 1y77 n ASN 282 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y77 n GLY 283 N 2.12 -0.15 3.42 7.41 0.00 -1.26 -4.84 105.19 111.88 1y77 n GLY 283 Ca 0.00 0.33 -0.45 0.00 0.00 0.00 0.00 46.02 45.91 1y77 n GLY 283 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y77 s ALA 284 N 13.23 3.57 -0.93 4.61 0.00 -1.23 -4.95 121.76 136.07 1y77 s ALA 284 Ca 0.98 -2.93 -0.19 0.00 0.00 0.00 0.00 51.96 49.82 1y77 s ALA 284 Cb -0.21 -3.91 -0.11 0.00 0.00 0.00 0.00 23.12 18.89 1y77 s ALA 284 CO 0.15 -2.79 2.02 -0.35 0.00 0.00 0.00 175.76 174.79 1y77 n PRO 285 N 5.83 1.86 0.00 0.00 -0.04 -1.26 -4.86 135.00 136.53 1y77 n PRO 285 Ca 0.21 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.71 1y77 n PRO 285 Cb 0.48 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 1y77 n PRO 285 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1y77 n HIS 286 N 6.84 0.00 -1.95 0.54 8.25 -1.26 -0.79 115.22 126.85 1y77 n HIS 286 Ca 0.50 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.62 1y77 n HIS 286 Cb 0.37 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.52 1y77 n HIS 286 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1y77 n HIS 287 N 0.00 3.11 -0.39 4.41 8.25 -1.26 -3.85 115.22 125.49 1y77 n HIS 287 Ca 0.00 -2.64 0.00 0.00 -0.26 0.00 0.00 57.72 54.82 1y77 n HIS 287 Cb 0.00 -0.89 0.00 0.00 1.12 0.00 0.00 29.99 30.22 1y77 n HIS 287 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y77 n ALA 288 N -0.62 1.53 -0.11 -1.41 0.00 0.03 -4.65 120.51 115.28 1y77 n ALA 288 Ca 0.51 -0.39 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1y77 n ALA 288 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.83 1y77 n ALA 288 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1y77 n ILE 289 N -0.05 1.52 0.04 0.00 5.41 -1.25 -4.13 119.36 120.90 1y77 n ILE 289 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1y77 n ILE 289 Cb 0.14 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.01 1y77 n ILE 289 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1y77 n GLU 290 N -4.43 0.03 -0.01 0.38 0.28 -1.26 0.13 120.64 115.76 1y77 n GLU 290 Ca -0.32 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 56.74 1y77 n GLU 290 Cb 0.67 -1.01 -0.10 0.00 1.43 0.00 0.00 31.44 32.43 1y77 n GLU 290 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1y77 n GLU 291 N 0.15 0.60 -0.02 3.44 1.02 -1.26 -4.27 120.64 120.30 1y77 n GLU 291 Ca 0.00 -0.11 0.05 0.00 -0.02 0.00 0.00 57.16 57.08 1y77 n GLU 291 Cb 0.00 -1.29 0.05 0.00 -0.02 0.00 0.00 31.44 30.18 1y77 n GLU 291 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y77 n ALA 292 N -1.90 2.45 0.50 0.62 0.00 0.34 -4.21 120.51 118.31 1y77 n ALA 292 Ca -0.02 -0.64 0.11 0.00 0.00 0.00 0.00 53.44 52.89 1y77 n ALA 292 Cb 0.33 -0.34 -0.04 0.00 0.00 0.00 0.00 19.45 19.40 1y77 n ALA 292 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1y77 n GLU 293 N 0.54 0.33 0.14 0.00 2.13 -0.94 -3.63 120.64 119.22 1y77 n GLU 293 Ca 0.06 -0.04 -0.24 0.00 0.66 0.00 0.00 57.16 57.60 1y77 n GLU 293 Cb 0.27 -1.58 -0.16 0.00 0.27 0.00 0.00 31.44 30.24 1y77 n GLU 293 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1y77 h SER 294 N 0.00 0.84 -0.38 4.31 4.64 -1.74 -2.66 113.55 118.56 1y77 h SER 294 Ca 0.00 -0.89 0.07 0.00 -0.47 0.00 0.00 61.79 60.50 1y77 h SER 294 Cb 0.76 -0.27 -0.06 0.00 -0.31 0.00 0.00 62.40 62.51 1y77 h SER 294 CO 0.00 1.70 -0.01 0.25 -0.87 0.00 0.00 176.83 177.90 1y77 h LEU 295 N 0.15 -0.17 0.94 5.97 5.85 -1.73 0.73 115.31 127.05 1y77 h LEU 295 Ca -0.25 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1y77 h LEU 295 Cb 2.16 0.16 0.01 0.00 0.37 0.00 0.00 40.66 43.36 1y77 h LEU 295 CO 0.27 -0.05 -0.45 0.25 -0.34 0.00 0.00 178.44 178.13 1y77 h LEU 296 N 0.09 -1.07 -1.39 2.25 5.85 -1.62 0.13 115.31 119.56 1y77 h LEU 296 Ca 0.18 0.04 0.43 0.00 0.84 0.00 0.00 57.88 59.37 1y77 h LEU 296 Cb 0.26 0.28 -0.13 0.00 0.37 0.00 0.00 40.66 41.44 1y77 h LEU 296 CO -0.32 -0.73 0.83 -0.61 -0.34 0.00 0.00 178.44 177.27 1y77 h GLN 297 N -1.32 0.10 0.00 1.25 5.75 -1.06 0.12 115.11 119.95 1y77 h GLN 297 Ca -0.13 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.37 1y77 h GLN 297 Cb 0.97 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.49 1y77 h GLN 297 CO 0.21 0.06 0.00 0.34 -2.65 0.00 0.00 178.83 176.80 1y77 n PHE 298 N -4.71 0.00 -0.05 3.99 7.35 0.25 -2.95 117.46 121.34 1y77 n PHE 298 Ca 0.37 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.92 1y77 n PHE 298 Cb 1.40 -0.39 -0.09 0.00 0.35 0.00 0.00 39.48 40.75 1y77 n PHE 298 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1y77 h HIS 299 N 0.00 -1.58 0.00 -5.13 3.86 0.71 0.93 115.15 113.94 1y77 h HIS 299 Ca 0.00 0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 1y77 h HIS 299 Cb 0.00 0.72 0.00 0.00 1.06 0.00 0.00 27.41 29.19 1y77 h HIS 299 CO 0.12 -0.52 0.00 0.28 0.86 0.00 0.00 177.93 178.67 1y77 n VAL 300 N -5.42 0.00 -0.06 2.45 0.31 0.27 -0.57 118.33 115.31 1y77 n VAL 300 Ca -0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 1y77 n VAL 300 Cb 0.37 -0.99 -0.05 0.00 -0.91 0.00 0.00 33.84 32.25 1y77 n VAL 300 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y77 n ALA 301 N -0.88 2.07 -0.30 3.52 0.00 0.28 -4.60 120.51 120.60 1y77 n ALA 301 Ca 0.00 -0.49 -0.06 0.00 0.00 0.00 0.00 53.44 52.89 1y77 n ALA 301 Cb 0.00 0.31 0.07 0.00 0.00 0.00 0.00 19.45 19.83 1y77 n ALA 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 h THR 302 N -0.32 1.26 -1.00 0.00 1.03 0.18 -0.08 112.91 113.98 1y77 h THR 302 Ca -0.30 -0.80 0.35 0.00 -0.01 0.00 0.00 66.41 65.65 1y77 h THR 302 Cb 1.31 0.28 -0.16 0.00 -1.07 0.00 0.00 68.15 68.51 1y77 h THR 302 CO -0.15 0.33 0.56 0.22 -0.01 0.00 0.00 175.52 176.48 1y77 h TYR 303 N 1.17 0.91 0.07 0.00 3.20 -1.07 -0.88 116.97 120.37 1y77 h TYR 303 Ca 0.27 0.04 -0.36 0.00 3.14 0.00 0.00 58.73 61.82 1y77 h TYR 303 Cb 0.19 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1y77 h TYR 303 CO 0.02 -0.26 -2.06 -1.33 -1.64 0.00 0.00 178.16 172.90 1y77 n MET 304 N -5.11 0.71 -4.09 1.82 2.81 -0.88 -1.75 117.12 110.64 1y77 n MET 304 Ca 0.33 0.23 -0.14 0.00 -1.81 0.00 0.00 57.70 56.32 1y77 n MET 304 Cb 1.07 -1.68 -0.13 0.00 -0.71 0.00 0.00 33.22 31.77 1y77 n MET 304 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1y77 s ASP 305 N -6.69 0.63 0.00 7.83 -1.08 -0.10 -1.12 116.67 116.14 1y77 s ASP 305 Ca -0.21 -0.29 0.00 0.00 -0.52 0.00 0.00 52.55 51.53 1y77 s ASP 305 Cb 0.07 -0.01 0.00 0.00 -1.46 0.00 0.00 42.92 41.52 1y77 s ASP 305 CO 0.75 -0.07 0.00 -3.20 0.52 0.00 0.00 175.17 173.17 1y77 n ASN 306 N 2.30 0.26 -3.61 -0.34 2.85 -1.26 -3.62 115.26 111.84 1y77 n ASN 306 Ca -0.17 -0.21 -0.38 0.00 -0.11 0.00 0.00 54.58 53.70 1y77 n ASN 306 Cb 0.57 0.47 0.00 0.00 1.24 0.00 0.00 39.78 42.06 1y77 n ASN 306 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1y77 n ASP 307 N -0.50 6.41 -4.97 1.20 8.00 -1.26 -4.77 116.55 120.67 1y77 n ASP 307 Ca 0.00 -3.60 -0.21 0.00 0.71 0.00 0.00 54.79 51.69 1y77 n ASP 307 Cb 0.00 -1.06 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 1y77 n ASP 307 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1y77 s ILE 308 N -3.81 4.07 -0.40 0.53 1.01 -1.26 -5.01 121.20 116.33 1y77 s ILE 308 Ca 0.38 -0.70 0.22 0.00 0.00 0.00 0.00 60.65 60.56 1y77 s ILE 308 Cb 0.16 -3.47 0.28 0.00 0.01 0.00 0.00 42.46 39.45 1y77 s ILE 308 CO -0.06 -0.27 1.54 0.00 0.00 0.00 0.00 174.94 176.15 1y77 h ALA 309 N 0.61 0.93 0.00 9.38 0.00 -1.99 -3.34 119.26 124.86 1y77 h ALA 309 Ca -0.46 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 1y77 h ALA 309 Cb 1.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1y77 h ALA 309 CO 0.56 0.04 -0.12 0.41 0.00 0.00 0.00 179.25 180.13 1y77 n GLY 310 N 1.12 2.38 4.34 0.00 0.00 -1.26 -4.91 105.19 106.85 1y77 n GLY 310 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1y77 n GLY 310 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1y77 n GLN 311 N 2.25 0.00 0.00 1.61 6.02 -1.25 -4.88 117.38 121.13 1y77 n GLN 311 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.20 1y77 n GLN 311 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 1y77 n GLN 311 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1y77 n PRO 312 N 0.00 0.00 -0.04 -1.09 -0.02 -1.26 -4.78 135.00 127.81 1y77 n PRO 312 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.59 1y77 n PRO 312 Cb 0.00 0.00 0.47 0.00 -0.02 0.00 0.00 33.50 33.95 1y77 n PRO 312 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1y77 n GLN 313 N 0.00 1.48 -3.61 -0.52 1.13 -1.26 -4.90 117.38 109.69 1y77 n GLN 313 Ca 0.00 -0.72 -0.20 0.00 -1.94 0.00 0.00 57.00 54.14 1y77 n GLN 313 Cb 0.00 -1.38 0.05 0.00 0.11 0.00 0.00 30.24 29.02 1y77 n GLN 313 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1y77 n ALA 314 N -0.07 -2.07 -1.74 -1.58 0.00 -1.26 -4.75 120.51 109.03 1y77 n ALA 314 Ca 0.16 -0.13 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 1y77 n ALA 314 Cb 0.25 -2.36 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 1y77 n ALA 314 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y77 s LEU 315 N -6.52 4.40 -0.04 0.00 1.43 -1.26 -4.68 118.68 112.01 1y77 s LEU 315 Ca 0.05 2.72 -0.20 0.00 -1.03 0.00 0.00 54.13 55.67 1y77 s LEU 315 Cb -0.01 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 1y77 s LEU 315 CO 0.79 -0.99 0.56 -1.58 0.23 0.00 0.00 176.35 175.36 1y77 s GLN 316 N 2.79 4.30 0.00 1.70 0.74 -0.65 -4.80 119.66 123.74 1y77 s GLN 316 Ca 0.80 0.65 0.00 0.00 0.05 0.00 0.00 55.36 56.86 1y77 s GLN 316 Cb -0.45 -3.36 0.00 0.00 1.10 0.00 0.00 33.01 30.30 1y77 s GLN 316 CO 0.36 0.32 0.00 1.63 -0.55 0.00 0.00 175.29 177.05 1y77 n LYS 317 N 2.95 0.00 0.00 1.67 5.02 -1.26 -1.56 118.16 124.99 1y77 n LYS 317 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 1y77 n LYS 317 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1y77 n LYS 317 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1y77 n SER 318 N 0.00 0.00 -0.66 4.39 3.41 -1.26 -4.55 113.62 114.95 1y77 n SER 318 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 1y77 n SER 318 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 1y77 n SER 318 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y77 n GLY 319 N -1.10 1.02 3.67 5.00 0.00 -0.60 -4.98 105.19 108.20 1y77 n GLY 319 Ca 0.00 -0.48 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1y77 n GLY 319 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1y77 s ARG 320 N -2.56 4.32 0.08 1.61 3.00 -1.01 -4.79 118.95 119.59 1y77 s ARG 320 Ca 0.00 1.26 -0.12 0.00 -1.00 0.00 0.00 55.73 55.88 1y77 s ARG 320 Cb 0.00 -3.59 0.01 0.00 0.00 0.00 0.00 34.95 31.37 1y77 s ARG 320 CO 0.00 -0.45 0.67 -2.30 0.00 0.00 0.00 175.30 173.22 1y77 n PRO 321 N 5.63 -0.16 0.00 5.12 -0.02 -1.26 -1.64 135.00 142.67 1y77 n PRO 321 Ca 0.09 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1y77 n PRO 321 Cb 0.48 -0.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 1y77 n PRO 321 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1y77 n VAL 322 N -4.57 0.00 -2.92 -1.45 0.31 -1.26 -4.27 118.33 104.16 1y77 n VAL 322 Ca 0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.91 1y77 n VAL 322 Cb 0.13 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.03 1y77 n VAL 322 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1y77 s LYS 323 N -4.34 3.39 0.40 5.55 1.02 -1.26 -4.91 119.74 119.58 1y77 s LYS 323 Ca 0.00 -1.43 -0.27 0.00 0.02 0.00 0.00 55.97 54.30 1y77 s LYS 323 Cb 0.00 -4.64 -0.09 0.00 -0.52 0.00 0.00 37.83 32.58 1y77 s LYS 323 CO 0.00 -1.77 1.34 -1.54 -0.92 0.00 0.00 175.35 172.46 1y77 s SER 324 N 3.65 6.34 0.20 2.83 1.04 -1.26 -4.80 113.70 121.70 1y77 s SER 324 Ca 0.27 2.73 -0.20 0.00 0.48 0.00 0.00 55.95 59.23 1y77 s SER 324 Cb -0.10 -2.64 0.16 0.00 0.10 0.00 0.00 66.02 63.53 1y77 s SER 324 CO -0.02 -0.84 1.57 0.40 0.98 0.00 0.00 173.24 175.33 1y77 h ILE 325 N 2.59 0.09 -0.88 -1.02 2.04 -1.30 0.25 117.51 119.28 1y77 h ILE 325 Ca -0.50 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.48 1y77 h ILE 325 Cb 1.24 0.09 -0.13 0.00 -0.74 0.00 0.00 36.82 37.28 1y77 h ILE 325 CO 0.63 0.00 -0.46 -0.09 0.00 0.00 0.00 178.15 178.23 1y77 h ARG 326 N -0.10 -0.06 -1.57 2.37 2.43 -1.41 0.20 114.38 116.24 1y77 h ARG 326 Ca 0.27 0.00 0.46 0.00 -0.81 0.00 0.00 59.98 59.90 1y77 h ARG 326 Cb 0.57 0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.07 1y77 h ARG 326 CO -0.81 -0.04 1.16 0.00 -1.51 0.00 0.00 179.97 178.76 1y77 h ALA 327 N 0.91 3.48 0.00 2.80 0.00 -0.74 0.33 119.26 126.05 1y77 h ALA 327 Ca 0.25 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1y77 h ALA 327 Cb 0.53 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1y77 h ALA 327 CO -0.89 -1.97 -0.19 0.00 0.00 0.00 0.00 179.25 176.21 1y77 h ARG 328 N 0.00 0.00 0.00 0.00 3.08 -0.54 -3.26 114.38 113.66 1y77 h ARG 328 Ca 0.75 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.67 1y77 h ARG 328 Cb 3.05 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 33.08 1y77 h ARG 328 CO -0.01 0.19 -2.05 1.28 -1.07 0.00 0.00 179.97 178.31 1y77 n LEU 329 N -3.33 0.00 -4.40 3.04 4.77 0.11 -3.19 117.00 114.00 1y77 n LEU 329 Ca 0.00 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.53 1y77 n LEU 329 Cb 0.42 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1y77 n LEU 329 CO 0.33 0.17 -0.06 1.17 -1.33 0.00 0.00 177.39 177.66 1y77 n LYS 330 N -2.38 0.21 -1.20 3.23 4.81 -1.02 -4.39 118.16 117.42 1y77 n LYS 330 Ca -0.14 0.08 -0.43 0.00 -0.87 0.00 0.00 58.31 56.95 1y77 n LYS 330 Cb 0.74 -1.15 -0.04 0.00 0.02 0.00 0.00 35.03 34.60 1y77 n LYS 330 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1y77 n GLY 331 N 1.99 -1.15 0.87 3.14 0.00 -1.26 -4.12 105.19 104.65 1y77 n GLY 331 Ca 0.14 0.38 0.02 0.00 0.00 0.00 0.00 46.02 46.56 1y77 n GLY 331 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y77 n LYS 332 N 0.96 -2.23 -0.25 1.61 3.00 -1.26 -4.65 118.16 115.33 1y77 n LYS 332 Ca 0.16 1.75 0.00 0.00 -0.00 0.00 0.00 58.31 60.21 1y77 n LYS 332 Cb 0.17 -2.24 0.00 0.00 0.00 0.00 0.00 35.03 32.96 1y77 n LYS 332 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1y77 n GLU 333 N -2.36 -0.18 -4.06 1.64 -0.58 -1.26 -4.67 120.64 109.17 1y77 n GLU 333 Ca -0.01 0.02 -0.17 0.00 -0.42 0.00 0.00 57.16 56.58 1y77 n GLU 333 Cb 0.29 -2.73 -0.15 0.00 -0.57 0.00 0.00 31.44 28.28 1y77 n GLU 333 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1y77 s GLY 334 N -0.94 0.26 0.00 0.62 0.00 -1.26 -4.75 107.32 101.26 1y77 s GLY 334 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.69 1y77 s GLY 334 CO 0.00 0.21 0.00 -2.13 0.00 0.00 0.00 173.10 171.18 1y77 n ARG 335 N 3.57 0.00 0.00 2.90 3.00 -1.19 -1.56 116.66 123.37 1y77 n ARG 335 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 1y77 n ARG 335 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 1y77 n ARG 335 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1y77 n ILE 336 N 0.00 0.00 0.02 5.15 2.08 -1.26 -0.09 119.36 125.25 1y77 n ILE 336 Ca 0.00 1.19 -0.11 0.00 0.56 0.00 0.00 62.75 64.39 1y77 n ILE 336 Cb 0.00 -1.66 0.02 0.00 -0.75 0.00 0.00 39.64 37.25 1y77 n ILE 336 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1y77 h ARG 337 N 0.00 0.54 -0.55 0.38 2.43 -1.54 -1.28 114.38 114.35 1y77 h ARG 337 Ca 0.00 -0.39 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1y77 h ARG 337 Cb 0.00 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 1y77 h ARG 337 CO 0.00 1.01 0.00 0.41 -1.51 0.00 0.00 179.97 179.88 1y77 n GLY 338 N 0.44 2.70 0.00 2.80 0.00 -1.02 -3.87 105.19 106.24 1y77 n GLY 338 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.34 1y77 n GLY 338 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y77 n ASN 339 N 1.05 1.49 -0.12 1.61 3.02 0.87 -4.71 115.26 118.47 1y77 n ASN 339 Ca 0.19 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.52 1y77 n ASN 339 Cb 0.58 0.07 -0.09 0.00 -0.61 0.00 0.00 39.78 39.72 1y77 n ASN 339 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1y77 n LEU 340 N -1.51 2.20 0.01 3.41 4.77 0.07 -4.46 117.00 121.48 1y77 n LEU 340 Ca 0.00 0.13 0.11 0.00 -0.03 0.00 0.00 56.01 56.22 1y77 n LEU 340 Cb 0.17 -0.74 0.48 0.00 -2.33 0.00 0.00 43.42 41.00 1y77 n LEU 340 CO 0.00 0.65 0.86 0.23 -1.33 0.00 0.00 177.39 177.80 1y77 n MET 341 N -3.73 0.02 -3.64 3.23 2.81 -0.50 -4.63 117.12 110.69 1y77 n MET 341 Ca -0.45 0.13 -0.08 0.00 -1.81 0.00 0.00 57.70 55.49 1y77 n MET 341 Cb 0.87 -1.53 -0.07 0.00 -0.71 0.00 0.00 33.22 31.78 1y77 n MET 341 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1y77 s GLY 342 N -3.06 -0.28 0.19 3.03 0.00 -1.25 -5.03 107.32 100.92 1y77 s GLY 342 Ca 0.11 2.60 0.01 0.00 0.00 0.00 0.00 44.72 47.43 1y77 s GLY 342 CO 0.42 2.07 0.07 0.54 0.00 0.00 0.00 173.10 176.20 1y77 s LYS 343 N 0.73 1.18 0.49 2.90 1.02 -1.26 -2.90 119.74 121.90 1y77 s LYS 343 Ca -0.02 -1.60 -0.13 0.00 0.02 0.00 0.00 55.97 54.24 1y77 s LYS 343 Cb -0.05 -0.06 -0.06 0.00 -0.52 0.00 0.00 37.83 37.14 1y77 s LYS 343 CO -0.09 -0.26 0.90 1.03 -0.92 0.00 0.00 175.35 176.02 1y77 s ARG 344 N -4.02 3.79 0.17 1.68 0.52 -1.26 -5.06 118.95 114.77 1y77 s ARG 344 Ca 0.31 0.69 -0.07 0.00 -0.52 0.00 0.00 55.73 56.13 1y77 s ARG 344 Cb 0.07 -2.23 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 1y77 s ARG 344 CO 0.08 -0.24 0.26 0.14 0.02 0.00 0.00 175.30 175.56 1y77 s VAL 345 N -2.65 0.05 0.63 3.52 -7.23 -1.26 -5.17 120.40 108.30 1y77 s VAL 345 Ca 0.55 -1.53 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 1y77 s VAL 345 Cb -0.10 -1.99 0.12 0.00 0.56 0.00 0.00 36.38 34.97 1y77 s VAL 345 CO 0.36 -0.25 0.87 0.47 -0.31 0.00 0.00 175.10 176.25 1y77 n ASP 346 N -0.23 1.63 -3.77 4.85 8.00 -1.26 -4.65 116.55 121.13 1y77 n ASP 346 Ca -0.05 -2.27 -0.32 0.00 0.71 0.00 0.00 54.79 52.86 1y77 n ASP 346 Cb 0.63 -0.52 0.03 0.00 -0.02 0.00 0.00 41.12 41.24 1y77 n ASP 346 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1y77 n PHE 347 N -2.53 -1.81 -3.75 1.24 3.01 -1.26 -4.84 117.46 107.51 1y77 n PHE 347 Ca 0.16 0.47 -0.13 0.00 1.01 0.00 0.00 57.45 58.96 1y77 n PHE 347 Cb 0.57 -3.44 -0.10 0.00 -0.01 0.00 0.00 39.48 36.50 1y77 n PHE 347 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1y77 s SER 348 N -3.65 -0.31 0.05 4.37 1.04 -1.26 -1.95 113.70 112.00 1y77 s SER 348 Ca 0.39 0.49 -0.01 0.00 0.48 0.00 0.00 55.95 57.29 1y77 s SER 348 Cb -0.15 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.50 1y77 s SER 348 CO 0.88 -0.24 -0.03 0.00 0.98 0.00 0.00 173.24 174.82 1y77 s ALA 349 N -0.36 0.51 -0.13 5.32 0.00 -0.41 -4.99 121.76 121.69 1y77 s ALA 349 Ca -0.05 -1.20 -0.17 0.00 0.00 0.00 0.00 51.96 50.54 1y77 s ALA 349 Cb -0.03 0.27 0.04 0.00 0.00 0.00 0.00 23.12 23.39 1y77 s ALA 349 CO 0.02 -0.36 0.45 0.50 0.00 0.00 0.00 175.76 176.37 1y77 s ARG 350 N -3.87 0.61 0.00 0.00 3.52 -1.26 0.46 118.95 118.41 1y77 s ARG 350 Ca 0.07 0.45 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 1y77 s ARG 350 Cb 0.08 0.29 0.00 0.00 -1.56 0.00 0.00 34.95 33.76 1y77 s ARG 350 CO -0.10 -0.11 0.00 0.25 -0.81 0.00 0.00 175.30 174.53 1y77 n THR 351 N 2.36 0.00 -3.43 4.11 -2.24 -1.19 -4.98 114.28 108.91 1y77 n THR 351 Ca -0.15 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.30 1y77 n THR 351 Cb 0.57 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.74 1y77 n THR 351 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y77 s VAL 352 N -2.87 4.94 0.12 2.28 1.01 -1.26 -1.80 120.40 122.81 1y77 s VAL 352 Ca 0.00 0.54 0.04 0.00 0.00 0.00 0.00 61.98 62.56 1y77 s VAL 352 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1y77 s VAL 352 CO 0.00 0.05 0.12 0.27 0.00 0.00 0.00 175.10 175.54 1y77 s ILE 353 N -1.68 4.57 0.00 2.22 -4.36 -0.73 -1.83 121.20 119.40 1y77 s ILE 353 Ca 0.43 -0.91 -0.17 0.00 -0.26 0.00 0.00 60.65 59.75 1y77 s ILE 353 Cb -0.12 -3.28 0.03 0.00 1.25 0.00 0.00 42.46 40.34 1y77 s ILE 353 CO 0.21 -0.00 0.37 -0.94 0.24 0.00 0.00 174.94 174.81 1y77 s SER 354 N -2.79 -0.24 0.61 4.36 1.04 -0.84 -4.71 113.70 111.12 1y77 s SER 354 Ca 0.30 0.09 -0.15 0.00 0.48 0.00 0.00 55.95 56.67 1y77 s SER 354 Cb -0.11 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.34 1y77 s SER 354 CO 0.23 -0.53 1.06 -0.83 0.98 0.00 0.00 173.24 174.15 1y77 s GLY 355 N -1.57 2.10 -0.47 7.32 0.00 -1.26 -2.90 107.32 110.55 1y77 s GLY 355 Ca -0.10 0.40 0.07 0.00 0.00 0.00 0.00 44.72 45.09 1y77 s GLY 355 CO 0.02 0.72 0.67 -0.35 0.00 0.00 0.00 173.10 174.16 1y77 s ASP 356 N -2.81 -1.33 0.00 1.64 -1.08 -1.21 -4.90 116.67 106.98 1y77 s ASP 356 Ca 0.64 -1.40 0.00 0.00 -0.52 0.00 0.00 52.55 51.27 1y77 s ASP 356 Cb -0.17 1.83 0.00 0.00 -1.46 0.00 0.00 42.92 43.12 1y77 s ASP 356 CO 0.39 -0.11 0.00 -0.81 0.52 0.00 0.00 175.17 175.16 1y77 n PRO 357 N 3.55 0.00 -0.00 4.34 -0.04 -1.26 -2.27 135.00 139.32 1y77 n PRO 357 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1y77 n PRO 357 Cb 0.56 -0.88 0.00 0.00 -0.04 0.00 0.00 33.50 33.14 1y77 n PRO 357 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1y77 n ASN 358 N 0.30 1.73 -4.89 3.54 3.02 -1.26 -4.71 115.26 112.99 1y77 n ASN 358 Ca 0.00 -1.72 -0.31 0.00 -0.03 0.00 0.00 54.58 52.52 1y77 n ASN 358 Cb 0.00 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 1y77 n ASN 358 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1y77 s LEU 359 N -0.72 4.26 1.06 3.41 1.43 -0.96 -5.09 118.68 122.07 1y77 s LEU 359 Ca 0.00 0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 53.21 1y77 s LEU 359 Cb 0.00 -2.81 0.22 0.00 0.03 0.00 0.00 46.19 43.64 1y77 s LEU 359 CO 0.00 0.19 1.07 -1.61 0.23 0.00 0.00 176.35 176.23 1y77 s GLU 360 N -2.37 -0.06 0.08 1.70 0.41 -1.26 -4.82 118.70 112.38 1y77 s GLU 360 Ca 0.32 0.64 -0.32 0.00 -0.41 0.00 0.00 54.97 55.21 1y77 s GLU 360 Cb -0.13 -1.67 -0.17 0.00 -1.78 0.00 0.00 34.13 30.38 1y77 s GLU 360 CO 0.25 -3.09 1.62 1.25 -0.49 0.00 0.00 175.26 174.80 1y77 h LEU 361 N -2.16 -0.82 0.00 1.80 5.85 -1.96 -3.06 115.31 114.95 1y77 h LEU 361 Ca -0.57 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.20 1y77 h LEU 361 Cb 1.33 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.60 1y77 h LEU 361 CO 0.55 -0.52 0.00 -0.90 -0.34 0.00 0.00 178.44 177.23 1y77 n ASP 362 N -5.47 0.00 -1.86 1.25 3.85 -1.26 -4.51 116.55 108.56 1y77 n ASP 362 Ca -0.12 -0.91 0.00 0.00 -0.71 0.00 0.00 54.79 53.05 1y77 n ASP 362 Cb 0.36 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.13 1y77 n ASP 362 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1y77 n GLN 363 N -0.59 0.95 -3.22 0.11 6.02 -1.16 0.19 117.38 119.69 1y77 n GLN 363 Ca 0.02 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.04 1y77 n GLN 363 Cb 0.01 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.23 1y77 n GLN 363 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1y77 s VAL 364 N 0.62 -0.15 -0.34 5.09 0.11 -0.40 -4.43 120.40 120.91 1y77 s VAL 364 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1y77 s VAL 364 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 1y77 s VAL 364 CO 0.00 0.00 1.74 -0.83 -3.33 0.00 0.00 175.10 172.68 1y77 s GLY 365 N 2.15 0.85 -0.24 6.54 0.00 0.40 -2.27 107.32 114.74 1y77 s GLY 365 Ca -0.00 0.22 -0.10 0.00 0.00 0.00 0.00 44.72 44.84 1y77 s GLY 365 CO -0.16 3.19 0.15 0.14 0.00 0.00 0.00 173.10 176.42 1y77 s VAL 366 N 6.61 5.20 0.28 1.40 1.01 -0.55 -2.15 120.40 132.21 1y77 s VAL 366 Ca 0.77 0.13 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 1y77 s VAL 366 Cb -0.21 -3.43 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 1y77 s VAL 366 CO 0.34 0.34 1.36 -2.16 0.00 0.00 0.00 175.10 174.97 1y77 s PRO 367 N 1.18 4.33 0.30 2.72 0.04 -1.25 -0.79 135.00 141.53 1y77 s PRO 367 Ca 0.07 2.22 0.04 0.00 0.04 0.00 0.00 61.00 63.37 1y77 s PRO 367 Cb -0.14 -3.11 0.78 0.00 0.04 0.00 0.00 34.50 32.08 1y77 s PRO 367 CO 0.05 -0.29 1.61 -0.22 0.04 0.00 0.00 177.00 178.20 1y77 h LYS 368 N 4.34 0.11 -0.86 4.56 3.64 -1.39 0.28 116.57 127.25 1y77 h LYS 368 Ca -0.47 -0.01 0.22 0.00 -1.27 0.00 0.00 60.65 59.13 1y77 h LYS 368 Cb 1.22 -0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.87 1y77 h LYS 368 CO 0.72 0.07 0.14 1.03 -2.27 0.00 0.00 179.45 179.15 1y77 h SER 369 N 0.11 -0.16 0.12 4.20 0.87 -1.88 0.84 113.55 117.65 1y77 h SER 369 Ca 0.60 0.21 -0.20 0.00 -1.23 0.00 0.00 61.79 61.17 1y77 h SER 369 Cb 1.26 0.32 0.01 0.00 -0.44 0.00 0.00 62.40 63.55 1y77 h SER 369 CO -0.76 -0.19 -0.91 0.40 -0.53 0.00 0.00 176.83 174.84 1y77 h ILE 370 N 0.15 1.41 -0.84 2.23 2.04 -0.87 -3.04 117.51 118.59 1y77 h ILE 370 Ca 0.52 -2.49 0.23 0.00 1.00 0.00 0.00 64.86 64.12 1y77 h ILE 370 Cb 1.03 3.08 -0.04 0.00 -0.74 0.00 0.00 36.82 40.15 1y77 h ILE 370 CO -0.70 0.70 0.59 0.00 0.00 0.00 0.00 178.15 178.75 1y77 h ALA 371 N 0.03 2.65 0.00 1.87 0.00 -0.34 0.65 119.26 124.12 1y77 h ALA 371 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1y77 h ALA 371 Cb 1.62 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1y77 h ALA 371 CO 0.11 -0.89 -0.23 0.87 0.00 0.00 0.00 179.25 179.11 1y77 h LYS 372 N 0.10 0.00 0.00 0.00 1.57 -0.90 -3.01 116.57 114.33 1y77 h LYS 372 Ca 0.41 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.98 1y77 h LYS 372 Cb 1.48 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.76 1y77 h LYS 372 CO -0.05 0.00 -1.17 1.15 -0.57 0.00 0.00 179.45 178.82 1y77 h THR 373 N 0.00 0.95 -3.95 -0.16 2.02 0.28 -3.48 112.91 108.58 1y77 h THR 373 Ca 0.00 -2.17 -0.50 0.00 0.77 0.00 0.00 66.41 64.51 1y77 h THR 373 Cb 0.81 2.25 0.05 0.00 -1.74 0.00 0.00 68.15 69.51 1y77 h THR 373 CO 0.00 0.32 0.49 -0.76 0.37 0.00 0.00 175.52 175.95 1y77 s LEU 374 N -7.90 4.18 0.11 2.58 1.43 0.41 -5.05 118.68 114.44 1y77 s LEU 374 Ca -0.28 2.31 0.03 0.00 -1.03 0.00 0.00 54.13 55.16 1y77 s LEU 374 Cb 0.05 -4.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.19 1y77 s LEU 374 CO 0.59 -0.66 -0.08 0.28 0.23 0.00 0.00 176.35 176.71 1y77 s THR 375 N -1.44 0.82 -0.07 5.49 -1.32 -1.26 -3.10 115.64 114.76 1y77 s THR 375 Ca 0.57 -1.93 0.02 0.00 -1.21 0.00 0.00 61.69 59.14 1y77 s THR 375 Cb -0.30 -1.68 0.02 0.00 -1.51 0.00 0.00 72.50 69.03 1y77 s THR 375 CO 0.37 -0.81 -0.10 -0.47 -2.21 0.00 0.00 174.62 171.40 1y77 s TYR 376 N -3.42 1.34 -0.66 9.09 5.04 0.76 -4.88 117.35 124.62 1y77 s TYR 376 Ca 0.12 -0.51 -0.27 0.00 -2.44 0.00 0.00 57.07 53.97 1y77 s TYR 376 Cb 0.04 -1.03 0.03 0.00 0.35 0.00 0.00 41.96 41.36 1y77 s TYR 376 CO -0.03 -0.30 1.20 -1.25 -1.34 0.00 0.00 175.55 173.83 1y77 s PRO 377 N 0.86 3.31 0.05 4.97 0.04 -1.26 -0.64 135.00 142.32 1y77 s PRO 377 Ca -0.11 -0.12 -0.00 0.00 0.04 0.00 0.00 61.00 60.80 1y77 s PRO 377 Cb -0.15 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 1y77 s PRO 377 CO 0.01 -1.91 0.18 -2.00 0.04 0.00 0.00 177.00 173.32 1y77 s GLU 378 N 5.18 3.33 -0.24 4.56 2.12 -1.23 -4.89 118.70 127.54 1y77 s GLU 378 Ca 0.36 -0.46 -0.07 0.00 0.36 0.00 0.00 54.97 55.16 1y77 s GLU 378 Cb -0.09 -2.99 -0.03 0.00 0.26 0.00 0.00 34.13 31.28 1y77 s GLU 378 CO 0.18 0.62 0.07 0.08 -0.54 0.00 0.00 175.26 175.67 1y77 s VAL 379 N -1.44 4.44 -0.22 3.70 1.01 -1.26 0.32 120.40 126.94 1y77 s VAL 379 Ca 0.32 -0.14 -0.39 0.00 0.00 0.00 0.00 61.98 61.77 1y77 s VAL 379 Cb -0.13 -3.06 -0.15 0.00 0.00 0.00 0.00 36.38 33.04 1y77 s VAL 379 CO 0.25 0.36 1.70 0.52 0.00 0.00 0.00 175.10 177.93 1y77 n VAL 380 N 4.64 0.29 -3.87 2.92 0.31 0.17 -4.90 118.33 117.89 1y77 n VAL 380 Ca -0.16 -0.05 -0.11 0.00 -0.01 0.00 0.00 64.34 64.00 1y77 n VAL 380 Cb 0.52 -1.22 -0.12 0.00 -0.91 0.00 0.00 33.84 32.11 1y77 n VAL 380 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1y77 s THR 381 N 3.18 0.04 0.45 2.52 2.01 -1.26 -2.62 115.64 119.96 1y77 s THR 381 Ca 0.96 -0.32 0.31 0.00 0.31 0.00 0.00 61.69 62.94 1y77 s THR 381 Cb -1.03 -0.24 0.50 0.00 0.01 0.00 0.00 72.50 71.74 1y77 s THR 381 CO 0.62 -0.18 1.66 1.55 -0.69 0.00 0.00 174.62 177.59 1y77 h PRO 382 N 5.33 0.12 -0.50 4.92 0.13 -2.00 1.37 132.00 141.37 1y77 h PRO 382 Ca -0.27 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1y77 h PRO 382 Cb 1.20 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 1y77 h PRO 382 CO 0.43 0.08 0.33 1.88 -0.23 0.00 0.00 178.00 180.49 1y77 h TYR 383 N 0.13 0.53 0.00 1.56 0.99 -1.98 -3.34 116.97 114.85 1y77 h TYR 383 Ca 0.76 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 61.41 1y77 h TYR 383 Cb 2.47 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 40.00 1y77 h TYR 383 CO -0.00 0.31 -1.38 0.27 -0.00 0.00 0.00 178.16 177.35 1y77 n ASN 384 N -4.47 3.53 0.00 3.88 0.23 0.43 -4.86 115.26 113.99 1y77 n ASN 384 Ca 0.06 -0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 1y77 n ASN 384 Cb 0.16 0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 1y77 n ASN 384 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1y77 n ILE 385 N -2.56 0.00 0.00 1.53 2.08 0.10 0.13 119.36 120.64 1y77 n ILE 385 Ca -0.11 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.20 1y77 n ILE 385 Cb 0.64 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.53 1y77 n ILE 385 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1y77 n ASP 386 N -0.21 0.00 -0.32 4.38 8.00 -1.26 0.28 116.55 127.43 1y77 n ASP 386 Ca 0.00 0.91 0.04 0.00 0.71 0.00 0.00 54.79 56.45 1y77 n ASP 386 Cb 0.00 -0.41 0.12 0.00 -0.02 0.00 0.00 41.12 40.81 1y77 n ASP 386 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 1y77 h ARG 387 N 0.00 0.00 -0.50 -1.24 2.43 0.68 0.10 114.38 115.85 1y77 h ARG 387 Ca 0.00 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 1y77 h ARG 387 Cb 0.00 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1y77 h ARG 387 CO 0.00 0.00 0.31 -0.07 -1.51 0.00 0.00 179.97 178.70 1y77 h LEU 388 N 0.00 0.52 -1.64 3.80 3.38 -1.09 -1.83 115.31 118.45 1y77 h LEU 388 Ca 0.43 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.37 1y77 h LEU 388 Cb 0.66 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1y77 h LEU 388 CO -0.91 0.37 -0.10 0.74 0.09 0.00 0.00 178.44 178.63 1y77 h THR 389 N 0.63 1.12 0.27 0.22 2.02 0.24 -0.22 112.91 117.18 1y77 h THR 389 Ca 0.19 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1y77 h THR 389 Cb -0.02 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1y77 h THR 389 CO -0.07 0.16 -0.13 -0.61 0.37 0.00 0.00 175.52 175.24 1y77 h GLN 390 N 0.10 -0.35 -0.55 6.66 5.75 -0.64 0.53 115.11 126.61 1y77 h GLN 390 Ca 0.02 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.63 1y77 h GLN 390 Cb 0.24 0.08 -0.07 0.00 1.07 0.00 0.00 27.48 28.81 1y77 h GLN 390 CO 0.01 -0.09 0.19 -0.07 -2.65 0.00 0.00 178.83 176.23 1y77 h LEU 391 N -0.58 0.18 -0.64 -2.39 3.38 -0.75 0.83 115.31 115.34 1y77 h LEU 391 Ca -0.04 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1y77 h LEU 391 Cb 0.42 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1y77 h LEU 391 CO 0.06 0.12 0.36 0.58 0.09 0.00 0.00 178.44 179.65 1y77 h VAL 392 N 0.36 1.20 -0.27 1.22 2.07 -0.83 -1.92 116.25 118.08 1y77 h VAL 392 Ca 0.27 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 1y77 h VAL 392 Cb 0.33 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 1y77 h VAL 392 CO -0.29 0.21 0.13 0.03 0.02 0.00 0.00 177.57 177.67 1y77 h ARG 393 N 0.87 0.39 -0.91 1.57 3.08 0.14 -2.74 114.38 116.78 1y77 h ARG 393 Ca 0.23 -0.06 0.22 0.00 0.07 0.00 0.00 59.98 60.43 1y77 h ARG 393 Cb 0.03 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 29.94 1y77 h ARG 393 CO -0.04 0.38 0.61 -0.91 -1.07 0.00 0.00 179.97 178.94 1y77 h ASN 394 N 0.30 0.34 -4.70 7.04 2.35 0.14 -3.46 115.58 117.57 1y77 h ASN 394 Ca 0.09 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1y77 h ASN 394 Cb 0.12 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.47 1y77 h ASN 394 CO -0.01 0.13 0.00 0.61 -1.65 0.00 0.00 177.43 176.51 1y77 n GLY 395 N -1.55 -3.70 1.35 2.83 0.00 -0.80 -4.44 105.19 98.89 1y77 n GLY 395 Ca 0.19 -1.95 0.07 0.00 0.00 0.00 0.00 46.02 44.34 1y77 n GLY 395 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1y77 n PRO 396 N -0.28 3.27 -0.02 1.61 -0.04 -0.85 -2.21 135.00 136.48 1y77 n PRO 396 Ca 0.00 -2.30 -0.03 0.00 -0.04 0.00 0.00 63.50 61.12 1y77 n PRO 396 Cb 0.00 -1.80 -0.02 0.00 -0.04 0.00 0.00 33.50 31.64 1y77 n PRO 396 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1y77 n ASN 397 N 0.83 3.64 -4.69 3.54 4.13 -1.26 -4.97 115.26 116.49 1y77 n ASN 397 Ca 0.21 -0.02 -0.29 0.00 1.68 0.00 0.00 54.58 56.16 1y77 n ASN 397 Cb 0.76 -0.07 0.17 0.00 -1.54 0.00 0.00 39.78 39.10 1y77 n ASN 397 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1y77 s GLU 398 N -2.09 0.57 0.00 3.52 2.02 -1.26 -5.03 118.70 116.42 1y77 s GLU 398 Ca -0.06 0.55 0.00 0.00 0.02 0.00 0.00 54.97 55.48 1y77 s GLU 398 Cb 0.02 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.49 1y77 s GLU 398 CO 0.11 -2.64 0.01 1.58 0.02 0.00 0.00 175.26 174.33 1y77 n HIS 399 N -4.12 0.00 -1.53 1.61 -0.00 -1.26 -4.42 115.22 105.50 1y77 n HIS 399 Ca 0.05 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.52 1y77 n HIS 399 Cb 0.57 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.44 1y77 n HIS 399 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1y77 n PRO 400 N -0.07 0.43 -0.14 1.57 -0.02 -1.26 -4.59 135.00 130.91 1y77 n PRO 400 Ca 0.00 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 1y77 n PRO 400 Cb 0.00 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 30.92 1y77 n PRO 400 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y77 n GLY 401 N 6.23 2.79 3.48 -1.23 0.00 -1.26 -4.76 105.19 110.45 1y77 n GLY 401 Ca 0.53 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 1y77 n GLY 401 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y77 s ALA 402 N -1.00 0.92 0.00 4.61 0.00 -0.94 -1.15 121.76 124.20 1y77 s ALA 402 Ca 0.00 -1.60 0.10 0.00 0.00 0.00 0.00 51.96 50.45 1y77 s ALA 402 Cb 0.00 1.18 0.16 0.00 0.00 0.00 0.00 23.12 24.46 1y77 s ALA 402 CO 0.00 -0.78 0.99 0.36 0.00 0.00 0.00 175.76 176.33 1y77 n LYS 403 N -0.60 0.00 -3.50 0.00 2.85 -0.77 -2.00 118.16 114.14 1y77 n LYS 403 Ca 0.02 -1.23 0.03 0.00 -1.05 0.00 0.00 58.31 56.07 1y77 n LYS 403 Cb 0.61 -0.01 -0.05 0.00 -0.65 0.00 0.00 35.03 34.93 1y77 n LYS 403 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 1y77 s TYR 404 N 0.00 -0.10 -0.02 5.58 4.12 -1.18 -3.85 117.35 121.90 1y77 s TYR 404 Ca 0.13 0.19 0.07 0.00 0.02 0.00 0.00 57.07 57.48 1y77 s TYR 404 Cb 0.15 0.06 -0.02 0.00 -1.52 0.00 0.00 41.96 40.63 1y77 s TYR 404 CO -0.06 -0.05 -0.24 0.08 0.02 0.00 0.00 175.55 175.30 1y77 s VAL 405 N 1.39 2.26 -0.07 0.71 1.01 -1.02 -0.04 120.40 124.65 1y77 s VAL 405 Ca -0.05 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1y77 s VAL 405 Cb -0.02 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.57 1y77 s VAL 405 CO -0.12 0.56 0.01 0.27 0.00 0.00 0.00 175.10 175.81 1y77 s ILE 406 N -0.66 0.32 0.63 2.22 -4.36 -0.43 -1.19 121.20 117.73 1y77 s ILE 406 Ca 0.11 0.16 -0.01 0.00 -0.26 0.00 0.00 60.65 60.64 1y77 s ILE 406 Cb -0.10 -0.48 0.06 0.00 1.25 0.00 0.00 42.46 43.19 1y77 s ILE 406 CO -0.00 0.25 0.88 -0.13 0.24 0.00 0.00 174.94 176.18 1y77 s ARG 407 N 1.98 2.25 0.29 0.37 3.00 -1.25 -0.81 118.95 124.79 1y77 s ARG 407 Ca 0.05 -0.73 0.05 0.00 0.00 0.00 0.00 55.73 55.10 1y77 s ARG 407 Cb -0.12 -2.37 0.74 0.00 0.00 0.00 0.00 34.95 33.20 1y77 s ARG 407 CO -0.05 -1.01 1.72 0.38 0.00 0.00 0.00 175.30 176.34 1y77 h ASP 408 N -0.23 0.49 0.00 0.23 3.04 -1.94 -1.89 116.42 116.12 1y77 h ASP 408 Ca -0.41 0.14 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1y77 h ASP 408 Cb 1.29 0.07 0.00 0.00 -1.04 0.00 0.00 39.33 39.66 1y77 h ASP 408 CO 0.51 0.08 0.00 -1.54 -2.04 0.00 0.00 179.24 176.26 1y77 n SER 409 N -4.95 0.05 -3.98 4.15 3.41 -1.26 -4.77 113.62 106.27 1y77 n SER 409 Ca 0.23 -0.12 -0.39 0.00 -0.26 0.00 0.00 58.87 58.33 1y77 n SER 409 Cb 0.64 -0.03 0.01 0.00 -0.26 0.00 0.00 64.21 64.58 1y77 n SER 409 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y77 n GLY 410 N 0.40 -0.93 2.89 5.00 0.00 -0.71 -4.97 105.19 106.87 1y77 n GLY 410 Ca 0.00 0.40 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 1y77 n GLY 410 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y77 s ASP 411 N -3.40 0.23 -0.19 1.61 2.15 -1.26 -5.05 116.67 110.76 1y77 s ASP 411 Ca 0.33 -0.03 -0.19 0.00 0.43 0.00 0.00 52.55 53.10 1y77 s ASP 411 Cb -0.19 -0.05 -0.03 0.00 -0.30 0.00 0.00 42.92 42.35 1y77 s ASP 411 CO 0.91 0.00 0.53 -0.13 -0.17 0.00 0.00 175.17 176.31 1y77 s ARG 412 N 0.13 4.20 -0.40 4.34 0.52 -1.26 -3.79 118.95 122.69 1y77 s ARG 412 Ca -0.01 0.44 -0.15 0.00 -0.52 0.00 0.00 55.73 55.49 1y77 s ARG 412 Cb -0.03 -3.55 0.02 0.00 0.52 0.00 0.00 34.95 31.91 1y77 s ARG 412 CO -0.00 -0.13 0.31 0.42 0.02 0.00 0.00 175.30 175.91 1y77 s ILE 413 N 1.58 5.25 -0.76 1.52 1.01 -0.33 -5.00 121.20 124.46 1y77 s ILE 413 Ca 0.25 -0.59 -0.25 0.00 0.00 0.00 0.00 60.65 60.05 1y77 s ILE 413 Cb -0.15 -3.92 0.04 0.00 0.01 0.00 0.00 42.46 38.44 1y77 s ILE 413 CO 0.10 -0.29 1.23 -0.62 0.00 0.00 0.00 174.94 175.36 1y77 s ASP 414 N 1.69 6.22 0.60 3.58 -1.08 -1.26 -2.44 116.67 123.98 1y77 s ASP 414 Ca 0.06 -0.73 0.28 0.00 -0.52 0.00 0.00 52.55 51.64 1y77 s ASP 414 Cb -0.19 -2.53 1.25 0.00 -1.46 0.00 0.00 42.92 40.00 1y77 s ASP 414 CO 0.10 -1.70 1.65 -0.07 0.52 0.00 0.00 175.17 175.67 1y77 h LEU 415 N 12.59 0.00 -0.03 -1.34 3.38 -1.95 -0.98 115.31 127.00 1y77 h LEU 415 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1y77 h LEU 415 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1y77 h LEU 415 CO 1.27 0.00 0.00 0.08 0.09 0.00 0.00 178.44 179.88 1y77 h ARG 416 N 0.00 0.00 0.00 1.13 0.11 -1.90 -3.45 114.38 110.27 1y77 h ARG 416 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 1y77 h ARG 416 Cb 1.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.00 1y77 h ARG 416 CO -0.00 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.73 1y77 n TYR 417 N -2.76 0.00 -1.52 4.08 0.53 -0.37 -5.09 117.16 112.03 1y77 n TYR 417 Ca 0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.93 1y77 n TYR 417 Cb 0.48 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.79 1y77 n TYR 417 CO 0.00 0.00 0.00 0.45 -1.02 0.00 0.00 176.86 176.29 1y77 n SER 418 N 0.00 -1.16 0.00 7.72 2.88 -1.24 -4.31 113.62 117.51 1y77 n SER 418 Ca 0.00 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.21 1y77 n SER 418 Cb 0.00 -1.02 0.00 0.00 -0.75 0.00 0.00 64.21 62.44 1y77 n SER 418 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1y77 n LYS 419 N 1.88 0.00 -0.25 -1.46 2.85 -1.26 0.20 118.16 120.12 1y77 n LYS 419 Ca 0.00 0.16 0.10 0.00 -1.05 0.00 0.00 58.31 57.52 1y77 n LYS 419 Cb 0.00 -1.75 0.24 0.00 -0.65 0.00 0.00 35.03 32.87 1y77 n LYS 419 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1y77 n ARG 420 N -1.09 2.56 0.00 -1.58 1.74 -1.26 -4.81 116.66 112.21 1y77 n ARG 420 Ca 0.00 -2.33 0.00 0.00 -0.77 0.00 0.00 57.85 54.75 1y77 n ARG 420 Cb 0.25 -1.47 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1y77 n ARG 420 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1y77 n ALA 421 N 1.30 0.00 0.45 7.54 0.00 0.13 0.01 120.51 129.94 1y77 n ALA 421 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.72 1y77 n ALA 421 Cb 0.56 0.07 0.39 0.00 0.00 0.00 0.00 19.45 20.46 1y77 n ALA 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y77 n GLY 422 N -0.64 -1.12 0.00 0.00 0.00 -1.26 -4.45 105.19 97.72 1y77 n GLY 422 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1y77 n GLY 422 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y77 n ASP 423 N -1.83 0.00 -1.38 1.61 -0.08 0.10 -4.92 116.55 110.05 1y77 n ASP 423 Ca 0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1y77 n ASP 423 Cb 0.19 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.65 1y77 n ASP 423 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 1y77 n ILE 424 N 0.00 0.00 -4.82 5.18 5.41 -1.23 -4.99 119.36 118.91 1y77 n ILE 424 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 1y77 n ILE 424 Cb 0.00 -0.12 -0.14 0.00 -0.71 0.00 0.00 39.64 38.67 1y77 n ILE 424 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1y77 s GLN 425 N -0.68 2.97 0.68 0.38 -1.52 -1.26 -5.06 119.66 115.17 1y77 s GLN 425 Ca 0.00 -0.68 -0.11 0.00 -1.95 0.00 0.00 55.36 52.62 1y77 s GLN 425 Cb 0.00 -2.52 0.01 0.00 -0.22 0.00 0.00 33.01 30.28 1y77 s GLN 425 CO 0.00 0.42 1.06 -0.51 -0.25 0.00 0.00 175.29 176.01 1y77 s LEU 426 N -0.18 2.99 -0.06 2.90 1.43 -1.26 -5.08 118.68 119.42 1y77 s LEU 426 Ca 0.00 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 1y77 s LEU 426 Cb -0.13 -3.95 0.02 0.00 0.03 0.00 0.00 46.19 42.16 1y77 s LEU 426 CO 0.03 -1.24 -0.04 -1.10 0.23 0.00 0.00 176.35 174.23 1y77 s GLN 427 N -5.29 0.86 0.10 1.70 -1.52 -1.26 -5.09 119.66 109.16 1y77 s GLN 427 Ca 0.57 -0.07 -0.36 0.00 -1.95 0.00 0.00 55.36 53.55 1y77 s GLN 427 Cb -0.11 -0.97 -0.16 0.00 -0.22 0.00 0.00 33.01 31.55 1y77 s GLN 427 CO 0.51 -0.16 1.36 0.66 -0.25 0.00 0.00 175.29 177.41 1y77 n TYR 428 N 4.45 1.59 0.00 0.91 4.02 -1.26 -0.12 117.16 126.75 1y77 n TYR 428 Ca -0.18 0.60 0.00 0.00 -0.01 0.00 0.00 57.90 58.31 1y77 n TYR 428 Cb 0.51 -2.35 0.00 0.00 -0.02 0.00 0.00 39.34 37.47 1y77 n TYR 428 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1y77 n GLY 429 N 2.60 2.24 3.73 2.72 0.00 -1.08 -5.02 105.19 110.38 1y77 n GLY 429 Ca 0.18 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.43 1y77 n GLY 429 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1y77 s TRP 430 N -1.23 2.32 0.28 1.61 0.52 0.83 -4.71 118.94 118.55 1y77 s TRP 430 Ca 0.00 1.47 0.11 0.00 0.02 0.00 0.00 56.10 57.70 1y77 s TRP 430 Cb 0.00 -3.13 -0.05 0.00 -1.15 0.00 0.00 33.47 29.15 1y77 s TRP 430 CO 0.00 -2.20 -0.10 0.15 0.02 0.00 0.00 176.95 174.81 1y77 s LYS 431 N -4.86 1.97 -0.36 4.98 1.02 0.01 0.45 119.74 122.94 1y77 s LYS 431 Ca 0.63 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 55.01 1y77 s LYS 431 Cb -0.18 -1.95 0.14 0.00 -0.52 0.00 0.00 37.83 35.31 1y77 s LYS 431 CO 0.57 0.34 0.21 0.08 -0.92 0.00 0.00 175.35 175.63 1y77 s VAL 432 N -2.43 0.39 -0.15 3.17 1.01 0.15 -1.31 120.40 121.23 1y77 s VAL 432 Ca 0.31 -1.80 -0.34 0.00 0.00 0.00 0.00 61.98 60.14 1y77 s VAL 432 Cb -0.05 -1.29 -0.11 0.00 0.00 0.00 0.00 36.38 34.92 1y77 s VAL 432 CO 0.17 -0.95 1.94 -0.62 0.00 0.00 0.00 175.10 175.65 1y77 n GLU 433 N 4.04 1.94 -4.72 2.72 1.02 0.95 -3.51 120.64 123.08 1y77 n GLU 433 Ca 0.10 0.68 -0.32 0.00 -0.02 0.00 0.00 57.16 57.60 1y77 n GLU 433 Cb 0.37 -2.62 -0.08 0.00 -0.02 0.00 0.00 31.44 29.09 1y77 n GLU 433 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1y77 s ARG 434 N 4.51 2.14 0.58 3.49 1.70 0.18 -1.86 118.95 129.70 1y77 s ARG 434 Ca 0.96 -2.35 -0.16 0.00 -0.47 0.00 0.00 55.73 53.71 1y77 s ARG 434 Cb -0.72 -1.41 -0.04 0.00 -0.57 0.00 0.00 34.95 32.21 1y77 s ARG 434 CO 0.51 -0.36 1.04 -1.01 -1.08 0.00 0.00 175.30 174.41 1y77 s HIS 435 N -2.91 3.10 0.34 5.89 3.76 -0.30 -0.17 115.29 125.00 1y77 s HIS 435 Ca 0.10 1.50 -0.29 0.00 -0.15 0.00 0.00 55.06 56.22 1y77 s HIS 435 Cb 0.02 -2.95 -0.11 0.00 1.11 0.00 0.00 32.58 30.65 1y77 s HIS 435 CO 0.05 -0.95 1.37 0.42 -0.85 0.00 0.00 174.74 174.79 1y77 s ILE 436 N -2.51 2.49 0.36 0.60 -1.09 -1.14 -4.62 121.20 115.29 1y77 s ILE 436 Ca 0.62 0.49 0.04 0.00 -2.23 0.00 0.00 60.65 59.57 1y77 s ILE 436 Cb -0.15 -3.31 -0.05 0.00 -1.58 0.00 0.00 42.46 37.37 1y77 s ILE 436 CO 0.36 0.12 0.07 -0.04 -1.23 0.00 0.00 174.94 174.21 1y77 s MET 437 N -1.85 1.75 -0.23 2.79 -1.94 -1.26 -4.86 119.30 113.70 1y77 s MET 437 Ca 0.51 -2.01 -0.34 0.00 -1.71 0.00 0.00 55.69 52.14 1y77 s MET 437 Cb -0.42 -0.90 -0.10 0.00 2.01 0.00 0.00 34.83 35.42 1y77 s MET 437 CO 0.56 -0.25 2.07 -0.25 -0.01 0.00 0.00 175.02 177.14 1y77 n ASP 438 N -0.86 2.83 0.00 3.03 8.00 -1.26 -1.48 116.55 126.82 1y77 n ASP 438 Ca -0.04 0.60 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1y77 n ASP 438 Cb 0.66 -1.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 1y77 n ASP 438 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1y77 n ASN 439 N 8.90 -0.86 -4.69 -2.24 4.13 0.20 -4.94 115.26 115.77 1y77 n ASN 439 Ca 0.32 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 56.16 1y77 n ASN 439 Cb 0.29 -0.14 -0.04 0.00 -1.54 0.00 0.00 39.78 38.35 1y77 n ASN 439 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 1y77 s ASP 440 N -2.18 7.11 0.25 6.41 1.01 -0.55 -4.68 116.67 124.04 1y77 s ASP 440 Ca 0.00 1.36 -0.30 0.00 0.71 0.00 0.00 52.55 54.32 1y77 s ASP 440 Cb 0.00 -2.50 -0.09 0.00 1.01 0.00 0.00 42.92 41.34 1y77 s ASP 440 CO 0.00 -0.35 1.23 -2.16 0.21 0.00 0.00 175.17 174.10 1y77 s PRO 441 N 1.73 4.47 0.05 8.23 0.04 -1.26 -2.61 135.00 145.65 1y77 s PRO 441 Ca 0.43 1.99 -0.01 0.00 0.04 0.00 0.00 61.00 63.46 1y77 s PRO 441 Cb -0.18 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 1y77 s PRO 441 CO 0.17 -0.07 -0.03 0.14 0.04 0.00 0.00 177.00 177.24 1y77 s VAL 442 N -0.60 0.24 -0.26 -0.36 -7.23 -0.90 -4.50 120.40 106.79 1y77 s VAL 442 Ca 0.50 -1.67 -0.16 0.00 -1.81 0.00 0.00 61.98 58.85 1y77 s VAL 442 Cb -0.35 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 1y77 s VAL 442 CO 0.43 -0.91 0.41 -0.22 -0.31 0.00 0.00 175.10 174.50 1y77 s LEU 443 N -2.69 4.04 0.10 1.32 1.98 -0.67 -0.90 118.68 121.87 1y77 s LEU 443 Ca 0.04 0.35 0.05 0.00 -2.89 0.00 0.00 54.13 51.68 1y77 s LEU 443 Cb 0.05 -2.49 -0.04 0.00 0.66 0.00 0.00 46.19 44.37 1y77 s LEU 443 CO -0.08 -0.21 0.02 0.12 -1.89 0.00 0.00 176.35 174.32 1y77 s PHE 444 N 2.10 3.03 0.00 5.38 5.36 0.14 -0.19 117.98 133.80 1y77 s PHE 444 Ca 0.17 -0.01 -0.28 0.00 -0.96 0.00 0.00 56.93 55.84 1y77 s PHE 444 Cb -0.16 -1.54 0.09 0.00 -0.34 0.00 0.00 43.02 41.08 1y77 s PHE 444 CO 0.10 0.49 0.80 1.21 -1.46 0.00 0.00 175.22 176.36 1y77 s ASN 445 N -2.42 -0.47 -0.13 6.13 3.84 0.33 -1.33 114.94 120.89 1y77 s ASN 445 Ca 0.27 0.19 -0.01 0.00 0.21 0.00 0.00 52.86 53.52 1y77 s ASN 445 Cb -0.12 0.45 0.03 0.00 -0.55 0.00 0.00 41.25 41.07 1y77 s ASN 445 CO 0.19 -0.66 -0.05 -0.60 -2.79 0.00 0.00 177.10 173.20 1y77 s ARG 446 N -2.60 1.31 0.39 0.43 3.52 -1.00 -0.66 118.95 120.34 1y77 s ARG 446 Ca 0.00 -0.30 -0.23 0.00 -0.13 0.00 0.00 55.73 55.07 1y77 s ARG 446 Cb -0.01 -1.67 -0.11 0.00 -1.56 0.00 0.00 34.95 31.61 1y77 s ARG 446 CO -0.05 -0.35 0.95 -0.65 -0.81 0.00 0.00 175.30 174.39 1y77 s GLN 447 N 1.73 4.35 0.26 5.12 -0.21 -1.26 -4.01 119.66 125.65 1y77 s GLN 447 Ca 0.03 1.19 -0.29 0.00 0.02 0.00 0.00 55.36 56.31 1y77 s GLN 447 Cb -0.14 -2.39 -0.10 0.00 1.00 0.00 0.00 33.01 31.38 1y77 s GLN 447 CO -0.08 0.08 1.29 -1.25 -2.12 0.00 0.00 175.29 173.21 1y77 s PRO 448 N -2.79 4.40 -0.33 2.91 0.04 -1.26 -5.09 135.00 132.88 1y77 s PRO 448 Ca 0.58 2.11 -0.17 0.00 0.04 0.00 0.00 61.00 63.56 1y77 s PRO 448 Cb -0.12 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 1y77 s PRO 448 CO 0.17 -0.19 0.44 -1.12 0.04 0.00 0.00 177.00 176.34 1y77 s SER 449 N -0.12 6.27 -0.17 6.66 0.01 -1.26 -4.89 113.70 120.20 1y77 s SER 449 Ca 0.52 0.01 0.17 0.00 1.31 0.00 0.00 55.95 57.96 1y77 s SER 449 Cb -0.38 -2.24 0.37 0.00 0.21 0.00 0.00 66.02 63.99 1y77 s SER 449 CO 0.45 -0.37 1.22 0.00 0.41 0.00 0.00 173.24 174.95 1y77 n LEU 450 N 5.54 0.19 -3.71 2.44 -0.00 -1.26 -5.06 117.00 115.14 1y77 n LEU 450 Ca -0.07 -2.65 -0.10 0.00 -0.00 0.00 0.00 56.01 53.19 1y77 n LEU 450 Cb 0.49 0.18 -0.05 0.00 -0.00 0.00 0.00 43.42 44.04 1y77 n LEU 450 CO 0.42 1.17 0.09 -1.00 -0.00 0.00 0.00 177.39 178.07 1y77 s HIS 451 N -1.23 -0.08 0.07 1.47 3.76 -1.26 -4.61 115.29 113.41 1y77 s HIS 451 Ca 0.19 -0.27 -0.23 0.00 -0.15 0.00 0.00 55.06 54.61 1y77 s HIS 451 Cb 0.31 0.17 -0.14 0.00 1.11 0.00 0.00 32.58 34.03 1y77 s HIS 451 CO -0.09 -0.67 1.64 0.87 -0.85 0.00 0.00 174.74 175.64 1y77 h LYS 452 N 2.46 0.07 0.00 1.40 1.57 -1.98 -2.96 116.57 117.14 1y77 h LYS 452 Ca -0.34 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 1y77 h LYS 452 Cb 1.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1y77 h LYS 452 CO 0.49 0.16 0.00 -1.33 -0.57 0.00 0.00 179.45 178.20 1y77 n MET 453 N -4.99 0.00 0.01 3.15 2.81 -1.26 -2.15 117.12 114.69 1y77 n MET 453 Ca -0.06 0.24 0.09 0.00 -1.81 0.00 0.00 57.70 56.16 1y77 n MET 453 Cb 0.08 -1.50 0.40 0.00 -0.71 0.00 0.00 33.22 31.49 1y77 n MET 453 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1y77 n SER 454 N -1.24 0.08 -3.74 7.83 7.64 -1.12 -4.28 113.62 118.80 1y77 n SER 454 Ca 0.00 0.52 -0.25 0.00 1.01 0.00 0.00 58.87 60.15 1y77 n SER 454 Cb 0.00 -0.54 -0.17 0.00 -1.01 0.00 0.00 64.21 62.49 1y77 n SER 454 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1y77 s MET 455 N -3.03 0.55 0.20 1.43 -1.94 -0.91 -2.38 119.30 113.21 1y77 s MET 455 Ca 0.08 -0.09 0.04 0.00 -1.71 0.00 0.00 55.69 54.01 1y77 s MET 455 Cb 0.12 -1.46 -0.05 0.00 2.01 0.00 0.00 34.83 35.45 1y77 s MET 455 CO 0.35 -0.46 -0.04 -1.64 -0.01 0.00 0.00 175.02 173.22 1y77 s MET 456 N 1.96 1.24 -0.05 2.03 1.00 -0.44 -4.94 119.30 120.09 1y77 s MET 456 Ca 0.03 -1.59 -0.09 0.00 0.00 0.00 0.00 55.69 54.03 1y77 s MET 456 Cb -0.14 -0.60 -0.05 0.00 0.00 0.00 0.00 34.83 34.04 1y77 s MET 456 CO -0.07 -0.04 0.24 0.00 0.00 0.00 0.00 175.02 175.16 1y77 s ALA 457 N -3.40 3.83 0.28 3.03 0.00 0.68 0.24 121.76 126.42 1y77 s ALA 457 Ca 0.24 -0.51 0.06 0.00 0.00 0.00 0.00 51.96 51.75 1y77 s ALA 457 Cb 0.05 -2.10 -0.06 0.00 0.00 0.00 0.00 23.12 21.01 1y77 s ALA 457 CO 0.06 0.59 -0.04 -1.01 0.00 0.00 0.00 175.76 175.36 1y77 s HIS 458 N -1.11 1.92 -0.04 0.00 3.76 -0.08 -1.99 115.29 117.75 1y77 s HIS 458 Ca 0.21 -0.75 -0.22 0.00 -0.15 0.00 0.00 55.06 54.14 1y77 s HIS 458 Cb -0.14 -1.12 -0.04 0.00 1.11 0.00 0.00 32.58 32.39 1y77 s HIS 458 CO 0.10 0.22 0.65 1.03 -0.85 0.00 0.00 174.74 175.89 1y77 s ARG 459 N -3.76 4.40 0.10 1.40 0.52 0.51 -2.11 118.95 120.01 1y77 s ARG 459 Ca 0.30 0.81 -0.30 0.00 -0.52 0.00 0.00 55.73 56.03 1y77 s ARG 459 Cb 0.05 -3.41 -0.06 0.00 0.52 0.00 0.00 34.95 32.05 1y77 s ARG 459 CO 0.12 0.18 0.94 0.08 0.02 0.00 0.00 175.30 176.64 1y77 s VAL 460 N 0.43 4.55 -0.31 3.52 1.01 -1.07 -1.27 120.40 127.26 1y77 s VAL 460 Ca 0.35 2.03 -0.01 0.00 0.00 0.00 0.00 61.98 64.35 1y77 s VAL 460 Cb -0.18 -4.30 0.10 0.00 0.00 0.00 0.00 36.38 32.00 1y77 s VAL 460 CO 0.17 0.31 0.09 -0.75 0.00 0.00 0.00 175.10 174.93 1y77 s LYS 461 N 0.08 0.74 0.10 2.72 2.36 -0.96 0.59 119.74 125.37 1y77 s LYS 461 Ca 0.47 -1.10 -0.31 0.00 -2.55 0.00 0.00 55.97 52.48 1y77 s LYS 461 Cb -0.23 -2.03 -0.09 0.00 -1.05 0.00 0.00 37.83 34.43 1y77 s LYS 461 CO 0.29 -0.98 1.59 0.08 1.55 0.00 0.00 175.35 177.88 1y77 s VAL 462 N 1.59 2.98 0.07 4.02 1.01 -1.26 -1.48 120.40 127.34 1y77 s VAL 462 Ca 0.10 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.63 1y77 s VAL 462 Cb -0.17 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 1y77 s VAL 462 CO -0.24 0.02 -0.04 0.27 0.00 0.00 0.00 175.10 175.10 1y77 s ILE 463 N 2.04 0.42 0.00 2.22 -4.36 0.03 -4.88 121.20 116.67 1y77 s ILE 463 Ca 0.71 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.23 1y77 s ILE 463 Cb -0.40 -1.61 0.00 0.00 1.25 0.00 0.00 42.46 41.69 1y77 s ILE 463 CO 0.31 -0.92 0.00 -0.81 0.24 0.00 0.00 174.94 173.76 1y77 n PRO 464 N 0.03 0.12 -0.89 0.37 -0.04 -1.26 -1.19 135.00 132.14 1y77 n PRO 464 Ca -0.13 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.45 1y77 n PRO 464 Cb 0.61 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.04 1y77 n PRO 464 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1y77 n TYR 465 N -1.38 -2.17 -1.34 0.54 4.02 -1.26 -4.55 117.16 111.02 1y77 n TYR 465 Ca 0.00 1.09 -0.10 0.00 -0.01 0.00 0.00 57.90 58.87 1y77 n TYR 465 Cb 0.00 -1.97 0.20 0.00 -0.02 0.00 0.00 39.34 37.55 1y77 n TYR 465 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1y77 n SER 466 N -4.36 3.06 -4.02 7.72 7.64 -1.26 -4.53 113.62 117.88 1y77 n SER 466 Ca 0.00 -3.67 -0.21 0.00 1.01 0.00 0.00 58.87 56.00 1y77 n SER 466 Cb 0.60 -0.71 -0.15 0.00 -1.01 0.00 0.00 64.21 62.94 1y77 n SER 466 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1y77 s THR 467 N -3.24 0.86 0.02 0.44 -4.23 -1.26 -4.58 115.64 103.65 1y77 s THR 467 Ca 0.49 -0.41 -0.34 0.00 -1.18 0.00 0.00 61.69 60.26 1y77 s THR 467 Cb 0.43 -0.75 -0.12 0.00 1.34 0.00 0.00 72.50 73.39 1y77 s THR 467 CO 0.04 0.26 1.77 0.49 -0.54 0.00 0.00 174.62 176.65 1y77 n PHE 468 N 3.22 2.34 -3.86 3.99 0.99 -0.76 -4.67 117.46 118.71 1y77 n PHE 468 Ca -0.18 0.07 -0.36 0.00 -0.00 0.00 0.00 57.45 56.98 1y77 n PHE 468 Cb 0.54 -2.63 -0.13 0.00 -1.00 0.00 0.00 39.48 36.26 1y77 n PHE 468 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 1y77 s ARG 469 N 2.84 2.53 0.18 -1.08 0.52 -0.91 -1.99 118.95 121.04 1y77 s ARG 469 Ca 0.87 -1.21 0.08 0.00 -0.52 0.00 0.00 55.73 54.95 1y77 s ARG 469 Cb -0.66 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 31.51 1y77 s ARG 469 CO 0.45 -0.61 -0.02 -0.48 0.02 0.00 0.00 175.30 174.66 1y77 s LEU 470 N 1.31 3.24 0.66 2.53 2.34 -1.14 0.15 118.68 127.77 1y77 s LEU 470 Ca -0.04 -0.45 -0.16 0.00 0.06 0.00 0.00 54.13 53.55 1y77 s LEU 470 Cb -0.19 -1.89 -0.00 0.00 -0.56 0.00 0.00 46.19 43.54 1y77 s LEU 470 CO -0.00 0.08 1.13 0.21 -1.06 0.00 0.00 176.35 176.72 1y77 s ASN 471 N -2.99 5.01 0.03 1.48 3.84 -1.26 -3.35 114.94 117.71 1y77 s ASN 471 Ca 0.27 2.10 -0.23 0.00 0.21 0.00 0.00 52.86 55.20 1y77 s ASN 471 Cb -0.09 -2.56 -0.16 0.00 -0.55 0.00 0.00 41.25 37.89 1y77 s ASN 471 CO 0.18 -1.70 1.46 -0.07 -2.79 0.00 0.00 177.10 174.19 1y77 h LEU 472 N 0.13 0.09 -2.18 3.21 3.38 -1.92 -3.25 115.31 114.77 1y77 h LEU 472 Ca -0.47 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.19 1y77 h LEU 472 Cb 1.26 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 1y77 h LEU 472 CO 0.54 0.37 -0.01 0.28 0.09 0.00 0.00 178.44 179.71 1y77 h SER 473 N -0.19 0.00 -0.18 -0.43 0.02 -1.94 0.60 113.55 111.43 1y77 h SER 473 Ca 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1y77 h SER 473 Cb 0.32 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1y77 h SER 473 CO 0.00 0.01 0.02 0.55 -1.14 0.00 0.00 176.83 176.27 1y77 n VAL 474 N -4.24 0.88 -0.05 2.27 3.14 -1.23 -3.99 118.33 115.11 1y77 n VAL 474 Ca -0.03 -0.41 -0.01 0.00 -2.96 0.00 0.00 64.34 60.93 1y77 n VAL 474 Cb 0.09 -0.49 -0.00 0.00 -1.06 0.00 0.00 33.84 32.38 1y77 n VAL 474 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1y77 h THR 475 N 1.02 0.00 -0.75 1.55 1.03 -1.00 -3.36 112.91 111.40 1y77 h THR 475 Ca 0.02 -0.93 0.22 0.00 -0.01 0.00 0.00 66.41 65.71 1y77 h THR 475 Cb 0.99 0.00 -0.03 0.00 -1.07 0.00 0.00 68.15 68.04 1y77 h THR 475 CO 0.16 0.00 0.65 0.77 -0.01 0.00 0.00 175.52 177.09 1y77 h SER 476 N -0.93 0.00 -0.15 0.00 4.64 -1.76 0.31 113.55 115.66 1y77 h SER 476 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 1y77 h SER 476 Cb 0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1y77 h SER 476 CO 0.00 0.00 -0.24 -0.65 -0.87 0.00 0.00 176.83 175.07 1y77 h PRO 477 N 0.00 0.43 0.00 4.77 0.11 -1.79 -2.49 132.00 133.02 1y77 h PRO 477 Ca 0.36 -0.26 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1y77 h PRO 477 Cb 1.65 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.78 1y77 h PRO 477 CO -0.00 0.85 -0.06 1.88 -0.21 0.00 0.00 178.00 180.46 1y77 h TYR 478 N 0.04 0.00 -5.16 0.65 0.99 -1.26 -3.41 116.97 108.82 1y77 h TYR 478 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 1y77 h TYR 478 Cb 0.82 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.55 1y77 h TYR 478 CO 0.10 0.06 -0.21 -1.71 -0.00 0.00 0.00 178.16 176.39 1y77 n ASN 479 N -3.17 -7.47 -3.97 3.88 2.85 0.95 -4.82 115.26 103.51 1y77 n ASN 479 Ca 0.01 0.20 -0.09 0.00 -0.11 0.00 0.00 54.58 54.58 1y77 n ASN 479 Cb 0.37 -5.05 -0.10 0.00 1.24 0.00 0.00 39.78 36.24 1y77 n ASN 479 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y77 s ALA 480 N -2.77 0.07 0.34 5.20 0.00 -1.19 -5.01 121.76 118.40 1y77 s ALA 480 Ca 0.11 -0.63 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1y77 s ALA 480 Cb -0.03 0.20 -0.07 0.00 0.00 0.00 0.00 23.12 23.22 1y77 s ALA 480 CO 0.71 -0.26 -0.04 0.16 0.00 0.00 0.00 175.76 176.33 1y77 s ASP 481 N -1.93 3.39 -0.00 0.00 1.47 -1.26 -4.75 116.67 113.59 1y77 s ASP 481 Ca -0.08 -1.26 0.20 0.00 1.18 0.00 0.00 52.55 52.59 1y77 s ASP 481 Cb -0.04 -0.29 0.57 0.00 -0.34 0.00 0.00 42.92 42.82 1y77 s ASP 481 CO -0.03 -0.34 1.47 0.49 0.68 0.00 0.00 175.17 177.44 1y77 n PHE 482 N -0.78 0.87 0.19 2.11 0.99 -1.26 -4.13 117.46 115.45 1y77 n PHE 482 Ca -0.05 -0.50 0.00 0.00 -0.00 0.00 0.00 57.45 56.90 1y77 n PHE 482 Cb 0.65 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 39.11 1y77 n PHE 482 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 1y77 n ASP 483 N 1.36 0.36 0.00 4.37 3.85 -1.26 -4.31 116.55 120.92 1y77 n ASP 483 Ca 0.21 -0.37 0.00 0.00 -0.71 0.00 0.00 54.79 53.92 1y77 n ASP 483 Cb 0.58 -0.09 0.00 0.00 -1.35 0.00 0.00 41.12 40.26 1y77 n ASP 483 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y77 n GLY 484 N 0.63 1.49 3.79 6.12 0.00 -1.26 -5.10 105.19 110.86 1y77 n GLY 484 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1y77 n GLY 484 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1y77 s ASP 485 N -2.00 7.29 0.17 1.61 1.01 -1.26 -4.96 116.67 118.53 1y77 s ASP 485 Ca 0.00 1.64 0.06 0.00 0.71 0.00 0.00 52.55 54.96 1y77 s ASP 485 Cb 0.00 -2.50 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1y77 s ASP 485 CO 0.00 0.09 0.07 -1.61 0.21 0.00 0.00 175.17 173.93 1y77 s GLU 486 N -1.62 2.68 0.04 8.23 2.02 -1.26 -1.77 118.70 127.02 1y77 s GLU 486 Ca 0.42 -0.98 0.00 0.00 0.02 0.00 0.00 54.97 54.43 1y77 s GLU 486 Cb -0.20 -2.51 -0.03 0.00 0.10 0.00 0.00 34.13 31.48 1y77 s GLU 486 CO 0.24 0.47 -0.04 -1.64 0.02 0.00 0.00 175.26 174.31 1y77 s MET 487 N -3.04 0.47 -0.02 1.61 -1.94 -0.75 -4.79 119.30 110.85 1y77 s MET 487 Ca 0.29 -0.86 -0.02 0.00 -1.71 0.00 0.00 55.69 53.40 1y77 s MET 487 Cb -0.10 0.04 -0.04 0.00 2.01 0.00 0.00 34.83 36.74 1y77 s MET 487 CO 0.21 -0.05 0.12 -0.80 -0.01 0.00 0.00 175.02 174.50 1y77 s ASN 488 N -2.00 5.98 -0.07 3.03 0.01 0.16 -3.14 114.94 118.91 1y77 s ASN 488 Ca -0.06 0.25 0.02 0.00 -0.71 0.00 0.00 52.86 52.36 1y77 s ASN 488 Cb -0.04 -1.80 0.01 0.00 0.41 0.00 0.00 41.25 39.83 1y77 s ASN 488 CO -0.03 0.28 -0.14 -0.22 -1.51 0.00 0.00 177.10 175.48 1y77 s LEU 489 N -1.75 1.70 -0.00 0.60 2.96 0.17 -0.51 118.68 121.85 1y77 s LEU 489 Ca 0.24 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 1y77 s LEU 489 Cb -0.12 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1y77 s LEU 489 CO 0.15 0.05 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.06 1y77 s HIS 490 N 0.63 2.61 -0.21 5.38 3.76 0.74 -1.29 115.29 126.91 1y77 s HIS 490 Ca -0.15 -0.23 -0.04 0.00 -0.15 0.00 0.00 55.06 54.49 1y77 s HIS 490 Cb -0.16 -1.54 -0.01 0.00 1.11 0.00 0.00 32.58 31.98 1y77 s HIS 490 CO 0.04 0.20 -0.04 0.08 -0.85 0.00 0.00 174.74 174.17 1y77 s VAL 491 N -0.82 3.46 1.15 -0.90 1.01 -0.82 -1.67 120.40 121.81 1y77 s VAL 491 Ca 0.13 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.47 1y77 s VAL 491 Cb -0.11 -2.56 0.24 0.00 0.00 0.00 0.00 36.38 33.95 1y77 s VAL 491 CO 0.03 0.43 0.51 -0.81 0.00 0.00 0.00 175.10 175.26 1y77 n PRO 492 N 4.60 -3.04 0.00 2.72 -0.04 -1.26 -4.91 135.00 133.07 1y77 n PRO 492 Ca -0.18 -0.90 0.00 0.00 -0.04 0.00 0.00 63.50 62.38 1y77 n PRO 492 Cb 0.51 -1.63 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1y77 n PRO 492 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1y77 n GLN 493 N -3.06 0.00 -3.84 0.54 -0.06 -1.26 -4.93 117.38 104.77 1y77 n GLN 493 Ca 0.08 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 54.74 1y77 n GLN 493 Cb 0.43 -0.29 -0.05 0.00 -4.06 0.00 0.00 30.24 26.27 1y77 n GLN 493 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 1y77 s SER 494 N -1.38 6.42 0.61 1.69 0.01 -1.26 -4.67 113.70 115.12 1y77 s SER 494 Ca 0.00 0.43 0.31 0.00 1.31 0.00 0.00 55.95 58.00 1y77 s SER 494 Cb 0.00 -2.03 1.77 0.00 0.21 0.00 0.00 66.02 65.97 1y77 s SER 494 CO 0.00 0.24 2.13 -0.08 0.41 0.00 0.00 173.24 175.94 1y77 h GLU 495 N 3.76 0.00 0.00 12.44 4.57 -1.99 0.28 114.58 133.63 1y77 h GLU 495 Ca -0.49 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.52 1y77 h GLU 495 Cb 1.19 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1y77 h GLU 495 CO 0.69 0.00 -1.30 1.05 -1.18 0.00 0.00 179.01 178.27 1y77 h GLU 496 N 0.00 0.00 0.33 1.92 4.11 -2.00 -3.21 114.58 115.73 1y77 h GLU 496 Ca 0.06 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.47 1y77 h GLU 496 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1y77 h GLU 496 CO -0.00 0.37 -0.16 1.15 0.07 0.00 0.00 179.01 180.44 1y77 h THR 497 N 0.00 0.69 -0.31 -1.06 2.02 -0.86 -2.61 112.91 110.78 1y77 h THR 497 Ca -0.15 -0.27 0.07 0.00 0.77 0.00 0.00 66.41 66.83 1y77 h THR 497 Cb 1.61 0.84 -0.08 0.00 -1.74 0.00 0.00 68.15 68.77 1y77 h THR 497 CO 0.06 0.06 -0.30 0.03 0.37 0.00 0.00 175.52 175.73 1y77 h ARG 498 N -0.60 -0.27 -0.83 6.66 3.08 -1.47 -0.84 114.38 120.11 1y77 h ARG 498 Ca -0.05 0.02 0.21 0.00 0.07 0.00 0.00 59.98 60.23 1y77 h ARG 498 Cb 0.43 0.06 -0.16 0.00 0.08 0.00 0.00 29.97 30.39 1y77 h ARG 498 CO 0.08 -0.18 -0.06 0.00 -1.07 0.00 0.00 179.97 178.73 1y77 n ALA 499 N -2.93 0.35 0.18 0.04 0.00 -1.09 0.21 120.51 117.27 1y77 n ALA 499 Ca -0.00 0.90 0.04 0.00 0.00 0.00 0.00 53.44 54.38 1y77 n ALA 499 Cb 0.33 -0.62 0.44 0.00 0.00 0.00 0.00 19.45 19.60 1y77 n ALA 499 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1y77 h GLU 500 N 0.00 0.09 0.05 0.00 5.08 -0.78 -0.95 114.58 118.07 1y77 h GLU 500 Ca 0.47 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.80 1y77 h GLU 500 Cb 0.89 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.13 1y77 h GLU 500 CO -0.81 0.28 -0.02 -0.07 -1.00 0.00 0.00 179.01 177.38 1y77 h LEU 501 N 0.08 -0.06 -1.55 1.33 3.38 0.27 -2.79 115.31 115.98 1y77 h LEU 501 Ca 0.02 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 1y77 h LEU 501 Cb 0.38 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1y77 h LEU 501 CO 0.03 0.65 -0.22 0.77 0.09 0.00 0.00 178.44 179.76 1y77 h SER 502 N -0.87 0.00 0.42 -0.43 4.64 -1.23 0.48 113.55 116.56 1y77 h SER 502 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1y77 h SER 502 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1y77 h SER 502 CO 0.01 0.22 -1.00 0.00 -0.87 0.00 0.00 176.83 175.20 1y77 n GLN 503 N -3.78 0.26 0.00 4.77 3.00 -0.37 -4.39 117.38 116.88 1y77 n GLN 503 Ca -0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1y77 n GLN 503 Cb 0.33 -1.58 0.00 0.00 0.00 0.00 0.00 30.24 28.98 1y77 n GLN 503 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1y77 n LEU 504 N -1.92 0.00 -0.00 1.08 4.32 -1.05 -4.91 117.00 114.52 1y77 n LEU 504 Ca 0.02 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.11 1y77 n LEU 504 Cb 0.43 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.10 1y77 n LEU 504 CO 0.40 0.00 -0.31 0.00 -1.22 0.00 0.00 177.39 176.26 1y77 n ALA 506 N -1.73 1.73 -0.27 0.00 0.00 0.22 -0.23 120.51 120.23 1y77 n ALA 506 Ca 0.01 0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.92 1y77 n ALA 506 Cb 0.38 -2.34 0.23 0.00 0.00 0.00 0.00 19.45 17.72 1y77 n ALA 506 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y77 h VAL 507 N 2.97 0.42 -0.70 0.00 2.07 -1.75 -0.71 116.25 118.55 1y77 h VAL 507 Ca -0.47 -0.09 0.20 0.00 0.82 0.00 0.00 66.70 67.17 1y77 h VAL 507 Cb 1.26 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1y77 h VAL 507 CO 0.71 0.05 0.51 -0.65 0.02 0.00 0.00 177.57 178.20 1y77 h PRO 508 N 0.25 0.00 0.00 1.57 0.11 -1.88 0.14 132.00 132.19 1y77 h PRO 508 Ca 0.48 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 66.43 1y77 h PRO 508 Cb 0.89 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.98 1y77 h PRO 508 CO -0.58 0.00 -0.75 -0.07 -0.21 0.00 0.00 178.00 176.39 1y77 h LEU 509 N 0.00 0.00 0.00 2.35 3.38 -1.43 -3.22 115.31 116.39 1y77 h LEU 509 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 1y77 h LEU 509 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1y77 h LEU 509 CO -0.00 0.75 0.00 0.00 0.09 0.00 0.00 178.44 179.27 1y77 n GLN 510 N -3.43 0.40 -0.26 1.13 1.13 0.47 -4.28 117.38 112.54 1y77 n GLN 510 Ca 0.00 0.03 0.07 0.00 -1.94 0.00 0.00 57.00 55.16 1y77 n GLN 510 Cb 0.78 -1.50 0.20 0.00 0.11 0.00 0.00 30.24 29.83 1y77 n GLN 510 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1y77 h ILE 511 N 0.00 0.53 -3.32 5.09 2.04 -1.54 -3.33 117.51 116.98 1y77 h ILE 511 Ca 0.00 -0.11 -0.73 0.00 1.00 0.00 0.00 64.86 65.02 1y77 h ILE 511 Cb 0.24 0.19 -0.25 0.00 -0.74 0.00 0.00 36.82 36.26 1y77 h ILE 511 CO 0.00 0.06 -0.36 -0.69 0.00 0.00 0.00 178.15 177.16 1y77 s VAL 512 N -6.02 4.85 -0.01 1.67 1.01 -1.26 0.05 120.40 120.69 1y77 s VAL 512 Ca -0.13 -1.28 -0.30 0.00 0.00 0.00 0.00 61.98 60.28 1y77 s VAL 512 Cb 0.22 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 1y77 s VAL 512 CO 0.76 -0.61 1.00 -0.55 0.00 0.00 0.00 175.10 175.70 1y77 s SER 513 N 2.60 7.33 0.46 3.32 0.15 -0.07 -4.82 113.70 122.66 1y77 s SER 513 Ca 0.04 1.67 0.26 0.00 0.70 0.00 0.00 55.95 58.62 1y77 s SER 513 Cb -0.25 -2.57 0.66 0.00 -1.71 0.00 0.00 66.02 62.16 1y77 s SER 513 CO 0.04 -0.31 1.73 1.55 1.20 0.00 0.00 173.24 177.45 1y77 h PRO 514 N 6.86 0.00 0.00 5.44 0.13 -1.87 -1.81 132.00 140.74 1y77 h PRO 514 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1y77 h PRO 514 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1y77 h PRO 514 CO 0.77 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.54 1y77 n GLN 515 N -3.04 0.02 -1.74 0.86 10.64 -1.26 -3.06 117.38 119.80 1y77 n GLN 515 Ca 0.03 0.36 -0.04 0.00 -1.83 0.00 0.00 57.00 55.52 1y77 n GLN 515 Cb 0.46 -1.50 0.03 0.00 -0.86 0.00 0.00 30.24 28.36 1y77 n GLN 515 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1y77 n SER 516 N -1.42 -1.12 -3.10 2.61 3.41 -1.15 -3.81 113.62 109.04 1y77 n SER 516 Ca 0.01 -1.96 -0.06 0.00 -0.26 0.00 0.00 58.87 56.60 1y77 n SER 516 Cb 0.04 0.45 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1y77 n SER 516 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1y77 n ASN 517 N -0.69 -0.10 -3.53 4.04 0.23 -0.73 -4.84 115.26 109.64 1y77 n ASN 517 Ca -0.21 -0.20 -0.11 0.00 -0.53 0.00 0.00 54.58 53.53 1y77 n ASN 517 Cb 0.75 -0.25 -0.02 0.00 -2.08 0.00 0.00 39.78 38.18 1y77 n ASN 517 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1y77 s LYS 518 N -4.23 1.38 0.80 -3.83 -2.85 -0.93 -4.70 119.74 105.39 1y77 s LYS 518 Ca 0.03 -0.59 -0.13 0.00 -1.00 0.00 0.00 55.97 54.27 1y77 s LYS 518 Cb -0.01 0.59 0.08 0.00 -2.06 0.00 0.00 37.83 36.43 1y77 s LYS 518 CO 0.16 -0.61 1.20 -1.25 0.10 0.00 0.00 175.35 174.95 1y77 s PRO 519 N -3.79 1.66 0.00 1.78 0.04 -1.26 -0.89 135.00 132.53 1y77 s PRO 519 Ca 0.03 1.75 0.00 0.00 0.04 0.00 0.00 61.00 62.82 1y77 s PRO 519 Cb -0.02 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1y77 s PRO 519 CO -0.09 -2.20 0.64 0.00 0.04 0.00 0.00 177.00 175.40 1y77 s MET 521 N -0.38 0.96 0.00 0.00 -1.94 -1.26 -4.52 119.30 112.17 1y77 s MET 521 Ca 0.00 -1.05 0.00 0.00 -1.71 0.00 0.00 55.69 52.93 1y77 s MET 521 Cb 0.00 -1.09 0.00 0.00 2.01 0.00 0.00 34.83 35.75 1y77 s MET 521 CO 0.00 0.25 0.00 0.41 -0.01 0.00 0.00 175.02 175.67 1y77 n GLY 522 N 1.19 4.65 2.89 -0.03 0.00 -1.26 -4.19 105.19 108.44 1y77 n GLY 522 Ca -0.20 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 1y77 n GLY 522 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y77 s ILE 523 N 3.49 -0.11 0.36 -0.61 1.01 -1.22 -4.71 121.20 119.42 1y77 s ILE 523 Ca 0.00 0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.91 1y77 s ILE 523 Cb 0.00 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.21 1y77 s ILE 523 CO 0.00 0.09 0.10 0.52 0.00 0.00 0.00 174.94 175.66 1y77 n VAL 524 N 4.51 0.00 0.00 2.92 0.31 -1.26 -4.59 118.33 120.21 1y77 n VAL 524 Ca -0.21 -2.01 0.00 0.00 -0.01 0.00 0.00 64.34 62.11 1y77 n VAL 524 Cb 0.51 0.66 0.00 0.00 -0.91 0.00 0.00 33.84 34.10 1y77 n VAL 524 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y77 n GLN 525 N -0.83 0.00 -0.02 5.55 1.13 -1.26 -1.96 117.38 119.99 1y77 n GLN 525 Ca -0.07 0.00 -0.00 0.00 -1.94 0.00 0.00 57.00 54.98 1y77 n GLN 525 Cb 0.52 0.00 -0.00 0.00 0.11 0.00 0.00 30.24 30.87 1y77 n GLN 525 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1y77 n ASP 526 N -1.53 -0.05 -0.32 1.08 9.92 -1.26 0.99 116.55 125.39 1y77 n ASP 526 Ca 0.00 0.67 0.19 0.00 -0.53 0.00 0.00 54.79 55.13 1y77 n ASP 526 Cb 0.00 -0.31 0.39 0.00 -0.64 0.00 0.00 41.12 40.56 1y77 n ASP 526 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1y77 h THR 527 N 0.00 0.20 0.07 -3.53 2.02 -1.88 1.33 112.91 111.12 1y77 h THR 527 Ca 0.01 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.13 1y77 h THR 527 Cb 0.02 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.45 1y77 h THR 527 CO -0.04 0.03 -0.03 0.25 0.37 0.00 0.00 175.52 176.10 1y77 h LEU 528 N 0.16 -0.08 -0.96 2.58 5.85 0.13 0.15 115.31 123.14 1y77 h LEU 528 Ca 0.66 0.00 0.09 0.00 0.84 0.00 0.00 57.88 59.47 1y77 h LEU 528 Cb 1.47 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 42.41 1y77 h LEU 528 CO -0.71 -0.00 -0.57 0.00 -0.34 0.00 0.00 178.44 176.82 1y77 h GLY 530 N 0.00 0.80 1.12 0.00 0.00 0.16 -2.32 103.07 102.84 1y77 h GLY 530 Ca 0.15 -0.17 0.11 0.00 0.00 0.00 0.00 47.33 47.42 1y77 h GLY 530 CO -0.90 0.08 0.34 1.19 0.00 0.00 0.00 176.54 177.24 1y77 h ILE 531 N 0.51 0.55 0.29 2.60 2.10 0.19 -2.14 117.51 121.61 1y77 h ILE 531 Ca 0.26 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 66.19 1y77 h ILE 531 Cb 0.22 0.75 0.00 0.00 -1.09 0.00 0.00 36.82 36.70 1y77 h ILE 531 CO -0.21 0.00 -0.14 -0.09 -1.08 0.00 0.00 178.15 176.63 1y77 h ARG 532 N 0.00 -0.38 -0.39 2.19 2.43 -0.93 -3.17 114.38 114.13 1y77 h ARG 532 Ca 0.18 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.42 1y77 h ARG 532 Cb 0.85 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 30.42 1y77 h ARG 532 CO -0.00 -0.12 -0.45 0.87 -1.51 0.00 0.00 179.97 178.76 1y77 h LYS 533 N -1.03 -0.26 0.00 0.20 1.57 -1.39 0.47 116.57 116.13 1y77 h LYS 533 Ca -0.04 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1y77 h LYS 533 Cb 0.43 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1y77 h LYS 533 CO 0.07 -0.17 0.64 1.25 -0.57 0.00 0.00 179.45 180.67 1y77 h LEU 534 N -0.27 0.00 0.00 2.94 5.85 -1.53 -2.82 115.31 119.48 1y77 h LEU 534 Ca 0.07 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 1y77 h LEU 534 Cb 0.45 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1y77 h LEU 534 CO -0.51 0.00 -0.15 0.74 -0.34 0.00 0.00 178.44 178.18 1y77 h THR 535 N 0.00 0.37 0.00 1.05 2.02 -0.02 -3.21 112.91 113.11 1y77 h THR 535 Ca 0.00 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.88 1y77 h THR 535 Cb 1.29 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 68.41 1y77 h THR 535 CO 0.00 0.12 0.00 0.18 0.37 0.00 0.00 175.52 176.19 1y77 n LEU 536 N -4.71 0.00 -0.36 2.58 4.77 -1.06 -3.66 117.00 114.56 1y77 n LEU 536 Ca -0.05 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.97 1y77 n LEU 536 Cb 0.16 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.44 1y77 n LEU 536 CO 0.09 0.00 1.26 0.03 -1.33 0.00 0.00 177.39 177.44 1y77 h ARG 537 N 0.00 1.11 -0.93 3.23 3.08 -1.95 -1.15 114.38 117.78 1y77 h ARG 537 Ca 0.00 -0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.15 1y77 h ARG 537 Cb 0.00 -0.25 -0.08 0.00 0.08 0.00 0.00 29.97 29.72 1y77 h ARG 537 CO 0.00 0.73 0.59 0.22 -1.07 0.00 0.00 179.97 180.45 1y77 h ASP 538 N 1.14 0.63 -3.49 7.04 -0.00 -1.96 -3.42 116.42 116.37 1y77 h ASP 538 Ca 0.43 0.05 -0.57 0.00 -0.00 0.00 0.00 57.03 56.95 1y77 h ASP 538 Cb 0.20 -0.07 -0.06 0.00 -0.00 0.00 0.00 39.33 39.40 1y77 h ASP 538 CO -0.18 0.28 0.94 -0.89 -0.00 0.00 0.00 179.24 179.39 1y77 s THR 539 N -5.66 4.22 -0.01 2.25 2.01 -0.44 -5.03 115.64 112.99 1y77 s THR 539 Ca -0.10 1.31 0.08 0.00 0.31 0.00 0.00 61.69 63.28 1y77 s THR 539 Cb 0.23 -4.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 1y77 s THR 539 CO 0.79 -0.79 -0.24 -0.36 -0.69 0.00 0.00 174.62 173.34 1y77 s PHE 540 N 4.41 2.40 -0.06 4.92 0.40 -1.26 -2.36 117.98 126.43 1y77 s PHE 540 Ca 0.50 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.51 1y77 s PHE 540 Cb -0.10 -1.49 -0.01 0.00 0.51 0.00 0.00 43.02 41.92 1y77 s PHE 540 CO 0.27 0.05 -0.24 0.42 0.70 0.00 0.00 175.22 176.43 1y77 s ILE 541 N -0.69 1.96 0.08 0.64 1.01 0.98 -4.90 121.20 120.27 1y77 s ILE 541 Ca 0.11 -1.01 -0.07 0.00 0.00 0.00 0.00 60.65 59.68 1y77 s ILE 541 Cb -0.10 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 1y77 s ILE 541 CO 0.00 0.55 0.35 -1.83 0.00 0.00 0.00 174.94 174.01 1y77 s GLU 542 N -0.06 3.65 0.00 2.79 -1.05 -1.26 0.49 118.70 123.26 1y77 s GLU 542 Ca -0.06 -0.00 -0.00 0.00 -0.15 0.00 0.00 54.97 54.76 1y77 s GLU 542 Cb -0.14 -2.97 -0.00 0.00 -0.44 0.00 0.00 34.13 30.57 1y77 s GLU 542 CO 0.04 0.56 0.04 -0.11 0.95 0.00 0.00 175.26 176.74 1y77 n LEU 543 N 0.69 -0.00 -0.26 1.83 7.94 -1.26 -1.16 117.00 124.77 1y77 n LEU 543 Ca -0.07 0.04 0.22 0.00 -1.11 0.00 0.00 56.01 55.09 1y77 n LEU 543 Cb 0.52 -0.02 0.41 0.00 0.53 0.00 0.00 43.42 44.86 1y77 n LEU 543 CO 0.44 -0.02 0.80 -0.90 -1.11 0.00 0.00 177.39 176.60 1y77 n ASP 544 N -2.08 0.18 -0.07 1.96 5.75 -1.26 -1.07 116.55 119.96 1y77 n ASP 544 Ca 0.00 1.34 -0.06 0.00 -0.01 0.00 0.00 54.79 56.07 1y77 n ASP 544 Cb 0.00 -0.61 -0.03 0.00 -1.03 0.00 0.00 41.12 39.45 1y77 n ASP 544 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1y77 h GLN 545 N 0.00 0.00 -0.62 0.11 4.20 -1.54 -3.33 115.11 113.93 1y77 h GLN 545 Ca 0.63 0.00 0.19 0.00 0.06 0.00 0.00 58.65 59.53 1y77 h GLN 545 Cb 1.60 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 29.26 1y77 h GLN 545 CO -0.66 0.13 0.08 0.28 -0.67 0.00 0.00 178.83 177.99 1y77 n VAL 546 N -4.63 -0.26 0.00 -0.54 0.31 -0.71 0.22 118.33 112.72 1y77 n VAL 546 Ca -0.08 1.34 -0.10 0.00 -0.01 0.00 0.00 64.34 65.48 1y77 n VAL 546 Cb 0.26 -2.00 -0.05 0.00 -0.91 0.00 0.00 33.84 31.14 1y77 n VAL 546 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1y77 h LEU 547 N 0.00 -0.08 0.07 7.52 3.38 -1.25 -0.69 115.31 124.26 1y77 h LEU 547 Ca 0.41 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.40 1y77 h LEU 547 Cb 0.90 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1y77 h LEU 547 CO -0.56 -0.02 -0.03 0.78 0.09 0.00 0.00 178.44 178.69 1y77 h ASN 548 N 0.01 -0.08 -0.62 -0.43 2.35 0.25 -1.73 115.58 115.33 1y77 h ASN 548 Ca 0.05 -0.03 0.13 0.00 -0.55 0.00 0.00 56.30 55.89 1y77 h ASN 548 Cb 0.07 0.02 -0.11 0.00 0.05 0.00 0.00 38.32 38.34 1y77 h ASN 548 CO -0.09 -0.02 -0.08 0.24 -1.65 0.00 0.00 177.43 175.83 1y77 h MET 549 N -0.13 0.05 -0.21 0.81 2.86 -1.02 0.19 114.93 117.49 1y77 h MET 549 Ca -0.01 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1y77 h MET 549 Cb 0.11 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.68 1y77 h MET 549 CO 0.02 0.03 -0.32 -0.07 1.06 0.00 0.00 176.91 177.63 1y77 h LEU 550 N 0.05 -1.01 -1.30 1.22 3.38 -0.70 -0.49 115.31 116.46 1y77 h LEU 550 Ca 0.31 0.16 0.26 0.00 0.09 0.00 0.00 57.88 58.70 1y77 h LEU 550 Cb 0.50 0.44 -0.10 0.00 0.09 0.00 0.00 40.66 41.60 1y77 h LEU 550 CO -0.59 -0.34 0.66 0.22 0.09 0.00 0.00 178.44 178.47 1y77 h TYR 551 N -0.35 0.72 -0.63 1.13 3.20 0.24 -1.76 116.97 119.52 1y77 h TYR 551 Ca 0.12 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 1y77 h TYR 551 Cb 0.54 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1y77 h TYR 551 CO -0.44 0.07 0.19 -1.49 -1.64 0.00 0.00 178.16 174.84 1y77 h TRP 552 N 0.44 1.03 -2.38 -3.82 4.06 0.03 -3.38 115.95 111.93 1y77 h TRP 552 Ca 0.60 -0.11 -0.54 0.00 2.06 0.00 0.00 58.89 60.90 1y77 h TRP 552 Cb 1.44 -0.30 -0.03 0.00 -1.00 0.00 0.00 29.16 29.27 1y77 h TRP 552 CO -0.00 0.85 1.32 0.08 -3.56 0.00 0.00 178.44 177.13 1y77 s VAL 553 N -5.38 3.41 0.65 1.49 1.01 -0.66 -4.82 120.40 116.09 1y77 s VAL 553 Ca -0.12 0.36 0.34 0.00 0.00 0.00 0.00 61.98 62.56 1y77 s VAL 553 Cb 0.13 -3.70 0.36 0.00 0.00 0.00 0.00 36.38 33.18 1y77 s VAL 553 CO 0.82 -0.55 2.11 1.55 0.00 0.00 0.00 175.10 179.03 1y77 h PRO 554 N 13.97 0.00 -0.64 2.72 0.13 -1.83 -2.15 132.00 144.19 1y77 h PRO 554 Ca -0.31 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.60 1y77 h PRO 554 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1y77 h PRO 554 CO 1.10 0.00 0.23 -0.25 -0.23 0.00 0.00 178.00 178.85 1y77 n ASP 555 N -3.19 4.15 -4.72 1.44 8.00 -1.26 -4.97 116.55 115.98 1y77 n ASP 555 Ca -0.01 -3.35 -0.42 0.00 0.71 0.00 0.00 54.79 51.72 1y77 n ASP 555 Cb 0.28 -0.71 -0.03 0.00 -0.02 0.00 0.00 41.12 40.63 1y77 n ASP 555 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1y77 s TRP 556 N -3.06 3.34 -2.00 1.24 -0.00 -0.81 -4.89 118.94 112.76 1y77 s TRP 556 Ca 0.52 1.20 0.01 0.00 -0.00 0.00 0.00 56.10 57.83 1y77 s TRP 556 Cb 0.43 -3.54 0.06 0.00 -0.00 0.00 0.00 33.47 30.42 1y77 s TRP 556 CO 0.10 -1.73 0.86 -0.40 -0.00 0.00 0.00 176.95 175.78 1y77 n ASP 557 N 3.40 0.00 -3.20 5.86 5.75 -1.26 -4.86 116.55 122.24 1y77 n ASP 557 Ca 0.08 -1.60 -0.17 0.00 -0.01 0.00 0.00 54.79 53.09 1y77 n ASP 557 Cb 0.44 0.00 0.08 0.00 -1.03 0.00 0.00 41.12 40.61 1y77 n ASP 557 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y77 n GLY 558 N 0.33 -0.30 2.55 6.12 0.00 -1.26 -4.98 105.19 107.64 1y77 n GLY 558 Ca 0.01 0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 1y77 n GLY 558 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y77 s VAL 559 N -3.31 1.01 -0.85 1.61 1.01 -1.26 -5.06 120.40 113.54 1y77 s VAL 559 Ca 0.14 -2.93 -0.27 0.00 0.00 0.00 0.00 61.98 58.92 1y77 s VAL 559 Cb -0.06 -1.69 -0.19 0.00 0.00 0.00 0.00 36.38 34.44 1y77 s VAL 559 CO 0.65 -1.13 2.55 2.30 0.00 0.00 0.00 175.10 179.47 1y77 n ILE 560 N 2.82 -0.02 -1.56 2.22 -5.35 -1.26 -4.82 119.36 111.39 1y77 n ILE 560 Ca 0.24 -0.30 -0.38 0.00 -0.27 0.00 0.00 62.75 62.03 1y77 n ILE 560 Cb 0.43 -1.15 0.04 0.00 -1.74 0.00 0.00 39.64 37.22 1y77 n ILE 560 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1y77 n PRO 561 N 8.31 0.76 -2.28 6.28 -0.04 -1.26 -4.89 135.00 141.87 1y77 n PRO 561 Ca 0.57 0.29 -0.43 0.00 -0.04 0.00 0.00 63.50 63.90 1y77 n PRO 561 Cb 0.20 -1.97 -0.02 0.00 -0.04 0.00 0.00 33.50 31.67 1y77 n PRO 561 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1y77 s THR 562 N -1.58 4.02 0.34 0.52 2.01 -1.26 -4.97 115.64 114.72 1y77 s THR 562 Ca 0.73 1.25 -0.25 0.00 0.31 0.00 0.00 61.69 63.73 1y77 s THR 562 Cb -0.44 -3.81 -0.14 0.00 0.01 0.00 0.00 72.50 68.13 1y77 s THR 562 CO 0.50 -0.10 0.61 -2.65 -0.69 0.00 0.00 174.62 172.29 1y77 n PRO 563 N 6.64 0.58 0.09 4.92 -0.02 -1.26 -4.91 135.00 141.05 1y77 n PRO 563 Ca 0.15 0.21 -0.13 0.00 -2.02 0.00 0.00 63.50 61.71 1y77 n PRO 563 Cb 0.44 -1.44 -0.08 0.00 -0.02 0.00 0.00 33.50 32.40 1y77 n PRO 563 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y77 h ALA 564 N 1.07 -0.27 -2.79 3.55 0.00 -1.87 -3.42 119.26 115.53 1y77 h ALA 564 Ca -0.37 -0.20 -0.64 0.00 0.00 0.00 0.00 54.91 53.70 1y77 h ALA 564 Cb 1.40 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 1y77 h ALA 564 CO 0.54 -0.43 -0.39 0.42 0.00 0.00 0.00 179.25 179.38 1y77 s ILE 565 N -4.35 5.36 0.00 0.00 1.01 -1.11 -4.95 121.20 117.16 1y77 s ILE 565 Ca -0.14 0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.91 1y77 s ILE 565 Cb 0.02 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.97 1y77 s ILE 565 CO 0.56 0.56 0.00 -0.38 0.00 0.00 0.00 174.94 175.68 1y77 n ILE 566 N 2.36 0.00 0.00 2.92 5.41 -1.26 -1.39 119.36 127.40 1y77 n ILE 566 Ca -0.17 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.58 1y77 n ILE 566 Cb 0.54 -0.18 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 1y77 n ILE 566 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1y77 n LYS 567 N -1.10 0.00 -0.01 0.38 2.85 -1.26 -4.16 118.16 114.86 1y77 n LYS 567 Ca 0.00 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.09 1y77 n LYS 567 Cb 0.15 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.41 1y77 n LYS 567 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1y77 h PRO 568 N 0.00 0.22 -5.13 -1.58 0.13 -2.05 -3.44 132.00 120.15 1y77 h PRO 568 Ca 0.00 -0.29 -0.67 0.00 -0.87 0.00 0.00 66.00 64.16 1y77 h PRO 568 Cb 0.00 0.10 -0.34 0.00 0.13 0.00 0.00 31.00 30.88 1y77 h PRO 568 CO 0.00 1.06 -0.86 0.21 -0.23 0.00 0.00 178.00 178.18 1y77 s LYS 569 N -2.79 3.01 -0.06 0.86 2.20 -1.26 -5.09 119.74 116.62 1y77 s LYS 569 Ca -0.15 -0.84 -0.30 0.00 -0.36 0.00 0.00 55.97 54.32 1y77 s LYS 569 Cb 0.01 -2.50 -0.05 0.00 -1.51 0.00 0.00 37.83 33.77 1y77 s LYS 569 CO 0.77 -0.10 1.60 -1.25 -0.36 0.00 0.00 175.35 176.01 1y77 s PRO 570 N 1.04 4.19 0.26 4.03 0.04 -1.26 -4.41 135.00 138.89 1y77 s PRO 570 Ca -0.01 2.12 0.08 0.00 0.04 0.00 0.00 61.00 63.23 1y77 s PRO 570 Cb -0.14 -3.93 -0.05 0.00 0.04 0.00 0.00 34.50 30.42 1y77 s PRO 570 CO -0.07 -0.81 -0.12 -0.51 0.04 0.00 0.00 177.00 175.53 1y77 s LEU 571 N 3.85 2.56 0.06 -3.56 1.02 -0.49 -4.37 118.68 117.75 1y77 s LEU 571 Ca 0.71 -1.10 0.07 0.00 0.02 0.00 0.00 54.13 53.82 1y77 s LEU 571 Cb -0.32 -0.78 -0.03 0.00 0.02 0.00 0.00 46.19 45.08 1y77 s LEU 571 CO 0.28 -0.19 -0.18 0.26 0.02 0.00 0.00 176.35 176.53 1y77 s TRP 572 N -2.86 1.60 0.13 0.29 0.51 0.18 -2.56 118.94 116.24 1y77 s TRP 572 Ca 0.27 -0.38 -0.12 0.00 -2.12 0.00 0.00 56.10 53.75 1y77 s TRP 572 Cb 0.00 -0.93 -0.06 0.00 -0.81 0.00 0.00 33.47 31.67 1y77 s TRP 572 CO 0.11 0.10 0.49 -1.54 -0.51 0.00 0.00 176.95 175.60 1y77 s SER 573 N -1.38 6.72 0.10 2.95 1.04 -1.26 0.33 113.70 122.19 1y77 s SER 573 Ca 0.05 0.93 -0.30 0.00 0.48 0.00 0.00 55.95 57.11 1y77 s SER 573 Cb -0.09 -2.23 -0.12 0.00 0.10 0.00 0.00 66.02 63.68 1y77 s SER 573 CO 0.02 0.11 1.48 1.23 0.98 0.00 0.00 173.24 177.06 1y77 h GLY 574 N 3.46 -1.16 -0.89 7.32 0.00 -1.48 0.17 103.07 110.49 1y77 h GLY 574 Ca -0.48 0.67 0.24 0.00 0.00 0.00 0.00 47.33 47.75 1y77 h GLY 574 CO 0.67 -0.26 0.00 0.28 0.00 0.00 0.00 176.54 177.22 1y77 n LYS 575 N -5.08 -0.07 -0.22 4.80 5.02 -1.22 -0.16 118.16 121.23 1y77 n LYS 575 Ca -0.06 1.33 0.02 0.00 -2.02 0.00 0.00 58.31 57.58 1y77 n LYS 575 Cb 0.34 -2.10 0.12 0.00 -0.02 0.00 0.00 35.03 33.37 1y77 n LYS 575 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1y77 h GLN 576 N 0.00 0.14 0.07 1.97 4.20 -0.99 -2.60 115.11 117.90 1y77 h GLN 576 Ca 0.53 -0.01 -0.34 0.00 0.06 0.00 0.00 58.65 58.89 1y77 h GLN 576 Cb 1.07 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.79 1y77 h GLN 576 CO -0.84 0.09 -1.90 0.44 -0.67 0.00 0.00 178.83 175.95 1y77 n ILE 577 N -5.27 1.69 0.06 2.54 -5.35 0.77 -3.61 119.36 110.19 1y77 n ILE 577 Ca 0.11 -0.72 0.21 0.00 -0.27 0.00 0.00 62.75 62.08 1y77 n ILE 577 Cb 0.39 -1.40 0.69 0.00 -1.74 0.00 0.00 39.64 37.58 1y77 n ILE 577 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1y77 h LEU 578 N 0.04 0.00 -0.19 7.28 5.85 -1.23 2.55 115.31 129.60 1y77 h LEU 578 Ca -0.37 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1y77 h LEU 578 Cb 2.03 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.06 1y77 h LEU 578 CO 0.08 0.00 0.00 -1.20 -0.34 0.00 0.00 178.44 176.98 1y77 n SER 579 N -3.53 0.25 0.18 1.25 7.64 -0.99 -1.99 113.62 116.43 1y77 n SER 579 Ca 0.09 0.55 0.04 0.00 1.01 0.00 0.00 58.87 60.57 1y77 n SER 579 Cb 0.78 -0.61 0.32 0.00 -1.01 0.00 0.00 64.21 63.69 1y77 n SER 579 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1y77 h VAL 580 N 0.00 1.00 0.01 0.44 2.07 0.43 -2.70 116.25 117.50 1y77 h VAL 580 Ca 0.00 -1.58 -0.24 0.00 0.82 0.00 0.00 66.70 65.70 1y77 h VAL 580 Cb 0.36 1.93 0.01 0.00 -1.52 0.00 0.00 31.29 32.07 1y77 h VAL 580 CO 0.00 0.40 -0.99 0.00 0.02 0.00 0.00 177.57 177.00 1y77 h ALA 581 N 1.59 0.26 -1.96 1.67 0.00 -1.48 -3.43 119.26 115.92 1y77 h ALA 581 Ca -0.00 -0.71 -0.57 0.00 0.00 0.00 0.00 54.91 53.63 1y77 h ALA 581 Cb 0.90 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1y77 h ALA 581 CO 0.05 0.77 1.12 0.42 0.00 0.00 0.00 179.25 181.61 1y77 s ILE 582 N -3.26 3.76 0.47 0.00 1.01 -1.02 -4.90 121.20 117.26 1y77 s ILE 582 Ca -0.07 0.84 -0.23 0.00 0.00 0.00 0.00 60.65 61.18 1y77 s ILE 582 Cb 0.08 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.63 1y77 s ILE 582 CO 0.89 -0.42 1.21 -2.16 0.00 0.00 0.00 174.94 174.46 1y77 s PRO 583 N 4.80 3.68 0.53 2.79 0.04 -1.26 -4.71 135.00 140.87 1y77 s PRO 583 Ca 0.69 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 63.42 1y77 s PRO 583 Cb -0.21 -2.43 -0.08 0.00 0.04 0.00 0.00 34.50 31.82 1y77 s PRO 583 CO 0.29 -0.65 0.85 0.09 0.04 0.00 0.00 177.00 177.63 1y77 n ASN 584 N -0.50 0.39 0.00 6.66 3.02 -1.26 -3.43 115.26 120.15 1y77 n ASN 584 Ca 0.07 0.86 0.00 0.00 -0.03 0.00 0.00 54.58 55.48 1y77 n ASN 584 Cb 0.47 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 1y77 n ASN 584 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y77 n GLY 585 N 1.40 3.00 3.31 7.41 0.00 -1.18 -4.85 105.19 114.28 1y77 n GLY 585 Ca 0.12 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 1y77 n GLY 585 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1y77 n ILE 586 N 0.00 0.00 -3.63 -0.61 2.08 -1.22 -4.55 119.36 111.42 1y77 n ILE 586 Ca 0.00 -0.25 -0.16 0.00 0.56 0.00 0.00 62.75 62.91 1y77 n ILE 586 Cb 0.00 -0.50 -0.07 0.00 -0.75 0.00 0.00 39.64 38.31 1y77 n ILE 586 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1y77 s HIS 587 N -2.29 -0.49 -0.30 1.39 2.46 -1.26 -2.03 115.29 112.77 1y77 s HIS 587 Ca 0.53 0.93 -0.13 0.00 0.47 0.00 0.00 55.06 56.87 1y77 s HIS 587 Cb -0.17 0.27 0.16 0.00 -0.13 0.00 0.00 32.58 32.70 1y77 s HIS 587 CO 0.69 -0.47 0.87 -1.17 -2.47 0.00 0.00 174.74 172.19 1y77 s LEU 588 N -0.92 -0.79 -0.14 8.88 2.96 -0.02 -4.86 118.68 123.78 1y77 s LEU 588 Ca -0.09 1.03 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 1y77 s LEU 588 Cb -0.03 1.88 -0.01 0.00 0.50 0.00 0.00 46.19 48.53 1y77 s LEU 588 CO 0.06 -0.15 -0.14 -1.10 -1.32 0.00 0.00 176.35 173.70 1y77 s GLN 589 N 2.63 3.30 0.00 1.98 -0.21 -1.25 -0.83 119.66 125.27 1y77 s GLN 589 Ca -0.03 -0.72 0.00 0.00 0.02 0.00 0.00 55.36 54.64 1y77 s GLN 589 Cb -0.08 -2.63 0.00 0.00 1.00 0.00 0.00 33.01 31.29 1y77 s GLN 589 CO -0.18 0.11 0.00 -2.13 -2.12 0.00 0.00 175.29 170.97 1y77 n ARG 590 N 3.81 0.00 -1.55 2.91 0.63 0.15 -4.95 116.66 117.66 1y77 n ARG 590 Ca -0.19 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.74 1y77 n ARG 590 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 1y77 n ARG 590 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1y77 n PHE 591 N 0.00 -0.17 0.00 -0.14 3.01 -1.26 -4.87 117.46 114.03 1y77 n PHE 591 Ca 0.00 0.07 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1y77 n PHE 591 Cb 0.00 -1.61 0.00 0.00 -0.01 0.00 0.00 39.48 37.86 1y77 n PHE 591 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1y77 n ASP 592 N -0.09 0.00 0.00 4.37 8.00 -1.26 -4.86 116.55 122.71 1y77 n ASP 592 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1y77 n ASP 592 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1y77 n ASP 592 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1y77 n GLU 593 N 0.00 0.00 -2.43 -1.24 1.02 -1.26 -4.80 120.64 111.94 1y77 n GLU 593 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 1y77 n GLU 593 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1y77 n GLU 593 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y77 n GLY 594 N 3.20 2.50 3.27 0.62 0.00 -1.26 -4.91 105.19 108.61 1y77 n GLY 594 Ca 0.00 -1.37 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1y77 n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1y77 s THR 595 N 5.12 1.99 -0.40 2.61 2.01 -1.26 -4.48 115.64 121.22 1y77 s THR 595 Ca 0.56 -1.05 0.10 0.00 0.31 0.00 0.00 61.69 61.60 1y77 s THR 595 Cb 0.04 -1.67 0.38 0.00 0.01 0.00 0.00 72.50 71.26 1y77 s THR 595 CO 0.08 0.56 1.23 0.35 -0.69 0.00 0.00 174.62 176.14 1y77 n THR 596 N 2.73 0.11 -1.36 -0.82 -2.24 -1.26 -4.89 114.28 106.55 1y77 n THR 596 Ca -0.17 -1.82 -0.06 0.00 -2.27 0.00 0.00 64.05 59.73 1y77 n THR 596 Cb 0.52 1.02 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 1y77 n THR 596 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1y77 n LEU 597 N -0.27 -0.46 0.00 3.22 4.32 -1.26 -4.03 117.00 118.51 1y77 n LEU 597 Ca 0.02 0.18 0.00 0.00 -0.02 0.00 0.00 56.01 56.19 1y77 n LEU 597 Cb 0.80 -1.25 0.00 0.00 -1.62 0.00 0.00 43.42 41.35 1y77 n LEU 597 CO 0.00 -0.29 0.00 -0.11 -1.22 0.00 0.00 177.39 175.78 1y77 n LEU 598 N -1.58 0.00 0.00 2.23 0.00 -1.26 -5.09 117.00 111.29 1y77 n LEU 598 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 56.01 55.72 1y77 n LEU 598 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.67 1y77 n LEU 598 CO 0.09 0.34 0.00 -1.54 0.00 0.00 0.00 177.39 176.28 1y77 n SER 599 N 0.00 0.00 0.07 1.96 3.41 -1.26 -4.76 113.62 113.05 1y77 n SER 599 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1y77 n SER 599 Cb 0.30 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.21 1y77 n SER 599 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1y77 h PRO 600 N 0.00 -0.38 0.00 4.33 0.13 -1.94 0.15 132.00 134.30 1y77 h PRO 600 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1y77 h PRO 600 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 1y77 h PRO 600 CO 0.00 -0.25 0.00 1.63 -0.23 0.00 0.00 178.00 179.15 1y77 n LYS 601 N -5.36 0.37 -3.62 0.86 5.02 -1.26 -4.78 118.16 109.38 1y77 n LYS 601 Ca -0.05 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.02 1y77 n LYS 601 Cb 0.27 -1.23 0.04 0.00 -0.02 0.00 0.00 35.03 34.09 1y77 n LYS 601 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1y77 n ASP 602 N -0.73 -2.69 -0.86 4.39 2.03 0.54 -4.95 116.55 114.28 1y77 n ASP 602 Ca 0.04 -0.83 0.00 0.00 0.52 0.00 0.00 54.79 54.52 1y77 n ASP 602 Cb 0.02 -4.13 0.00 0.00 -0.72 0.00 0.00 41.12 36.28 1y77 n ASP 602 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1y77 n ASN 603 N -3.01 0.00 0.00 1.67 3.02 -1.26 -3.01 115.26 112.66 1y77 n ASN 603 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.32 1y77 n ASN 603 Cb 0.65 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.82 1y77 n ASN 603 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y77 n GLY 604 N 5.00 1.15 0.00 7.41 0.00 -1.26 -4.20 105.19 113.29 1y77 n GLY 604 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.62 1y77 n GLY 604 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1y77 n MET 605 N 8.83 0.00 -3.65 1.61 1.56 -1.26 -4.46 117.12 119.74 1y77 n MET 605 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 57.70 57.26 1y77 n MET 605 Cb 0.00 0.00 -0.16 0.00 2.15 0.00 0.00 33.22 35.21 1y77 n MET 605 CO 0.00 0.00 0.00 -1.17 -0.73 0.00 0.00 175.97 174.07 1y77 s LEU 606 N 0.00 -0.06 -0.07 -0.89 2.96 -0.77 0.34 118.68 120.19 1y77 s LEU 606 Ca 0.00 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.21 1y77 s LEU 606 Cb 0.00 0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.93 1y77 s LEU 606 CO 0.00 -0.25 -0.21 -0.63 -1.32 0.00 0.00 176.35 173.94 1y77 s ILE 607 N 2.29 2.43 -0.04 6.68 1.01 -0.01 -0.65 121.20 132.90 1y77 s ILE 607 Ca 0.03 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.78 1y77 s ILE 607 Cb -0.12 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1y77 s ILE 607 CO -0.06 0.57 -0.10 -0.63 0.00 0.00 0.00 174.94 174.72 1y77 s ILE 608 N -0.17 0.91 -1.08 2.92 1.01 -0.85 -0.85 121.20 123.09 1y77 s ILE 608 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1y77 s ILE 608 Cb -0.14 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.50 1y77 s ILE 608 CO 0.04 0.29 0.00 -0.67 0.00 0.00 0.00 174.94 174.60 1y77 n ASP 609 N 3.62 -2.85 -0.24 3.58 2.03 -0.86 -0.72 116.55 121.11 1y77 n ASP 609 Ca -0.21 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1y77 n ASP 609 Cb 0.52 -2.72 0.00 0.00 -0.72 0.00 0.00 41.12 38.21 1y77 n ASP 609 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1y77 n GLY 610 N -0.27 0.86 2.75 0.27 0.00 -1.17 -3.13 105.19 104.49 1y77 n GLY 610 Ca -0.11 -0.61 -0.22 0.00 0.00 0.00 0.00 46.02 45.08 1y77 n GLY 610 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y77 s GLN 611 N -3.75 0.42 -0.06 1.61 -1.52 0.10 -4.62 119.66 111.84 1y77 s GLN 611 Ca 0.00 0.17 -0.29 0.00 -1.95 0.00 0.00 55.36 53.29 1y77 s GLN 611 Cb 0.00 -0.83 -0.07 0.00 -0.22 0.00 0.00 33.01 31.89 1y77 s GLN 611 CO 0.00 -0.30 2.04 0.42 -0.25 0.00 0.00 175.29 177.20 1y77 s ILE 612 N 1.97 3.04 -0.11 1.08 1.01 -1.26 -2.01 121.20 124.91 1y77 s ILE 612 Ca 0.04 0.04 0.17 0.00 0.00 0.00 0.00 60.65 60.90 1y77 s ILE 612 Cb -0.12 -3.03 -0.17 0.00 0.01 0.00 0.00 42.46 39.14 1y77 s ILE 612 CO -0.04 -0.01 0.71 -0.38 0.00 0.00 0.00 174.94 175.22 1y77 n ILE 613 N 6.34 1.21 0.00 2.92 5.41 0.17 -4.82 119.36 130.59 1y77 n ILE 613 Ca 0.23 -0.71 0.00 0.00 1.00 0.00 0.00 62.75 63.27 1y77 n ILE 613 Cb 0.43 -0.72 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 1y77 n ILE 613 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 1y77 n PHE 614 N -2.87 0.00 0.00 1.39 1.16 -1.18 -4.98 117.46 110.98 1y77 n PHE 614 Ca -0.13 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.45 1y77 n PHE 614 Cb 0.89 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.76 1y77 n PHE 614 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1y77 n GLY 615 N -0.29 2.65 3.76 4.97 0.00 -1.26 -1.85 105.19 113.17 1y77 n GLY 615 Ca 0.00 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.23 1y77 n GLY 615 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y77 s VAL 616 N -0.20 2.02 -0.36 1.61 1.01 -1.16 -4.89 120.40 118.43 1y77 s VAL 616 Ca 0.00 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1y77 s VAL 616 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1y77 s VAL 616 CO 0.00 0.00 0.21 -0.69 0.00 0.00 0.00 175.10 174.62 1y77 s VAL 617 N -1.24 4.82 0.33 2.92 1.01 -1.26 -4.89 120.40 122.09 1y77 s VAL 617 Ca 0.66 -0.59 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1y77 s VAL 617 Cb -0.43 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.36 1y77 s VAL 617 CO 0.53 -0.13 0.44 -1.83 0.00 0.00 0.00 175.10 174.11 1y77 s GLU 618 N 1.62 1.83 0.00 2.72 4.04 -1.26 -3.68 118.70 123.97 1y77 s GLU 618 Ca 0.04 -1.73 0.00 0.00 0.04 0.00 0.00 54.97 53.32 1y77 s GLU 618 Cb -0.18 0.43 0.00 0.00 0.02 0.00 0.00 34.13 34.39 1y77 s GLU 618 CO 0.08 -0.74 0.00 1.17 -1.84 0.00 0.00 175.26 173.92 1y77 n LYS 619 N -0.54 0.00 0.17 -4.83 4.81 -0.90 0.39 118.16 117.26 1y77 n LYS 619 Ca 0.01 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.59 1y77 n LYS 619 Cb 0.62 0.00 0.49 0.00 0.02 0.00 0.00 35.03 36.16 1y77 n LYS 619 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1y77 h LYS 620 N 0.00 0.00 0.00 1.64 1.57 -1.93 -1.37 116.57 116.48 1y77 h LYS 620 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1y77 h LYS 620 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1y77 h LYS 620 CO 0.00 0.00 -1.95 2.41 -0.57 0.00 0.00 179.45 179.34 1y77 n THR 621 N -2.53 0.95 -1.31 -0.16 -1.04 1.26 -4.70 114.28 106.74 1y77 n THR 621 Ca 0.03 -0.51 0.06 0.00 -2.04 0.00 0.00 64.05 61.58 1y77 n THR 621 Cb 0.32 -0.79 0.08 0.00 -1.82 0.00 0.00 70.33 68.12 1y77 n THR 621 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1y77 n VAL 622 N -2.66 1.12 -3.51 12.58 3.14 -1.08 -1.61 118.33 126.32 1y77 n VAL 622 Ca -0.25 -1.34 -0.16 0.00 -2.96 0.00 0.00 64.34 59.63 1y77 n VAL 622 Cb 0.91 0.10 0.02 0.00 -1.06 0.00 0.00 33.84 33.81 1y77 n VAL 622 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1y77 n GLY 623 N -0.84 2.53 2.37 7.55 0.00 -0.52 -3.43 105.19 112.85 1y77 n GLY 623 Ca 0.09 -2.24 -0.26 0.00 0.00 0.00 0.00 46.02 43.61 1y77 n GLY 623 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y77 n SER 624 N -2.12 6.41 -4.98 1.61 3.41 -1.26 -4.75 113.62 111.95 1y77 n SER 624 Ca 0.03 -2.42 -0.21 0.00 -0.26 0.00 0.00 58.87 56.02 1y77 n SER 624 Cb 0.42 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.07 1y77 n SER 624 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1y77 s SER 625 N 2.61 5.90 0.00 4.04 1.04 -1.26 -4.77 113.70 121.25 1y77 s SER 625 Ca 0.56 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.99 1y77 s SER 625 Cb 0.17 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.95 1y77 s SER 625 CO -0.04 -0.56 0.00 -3.20 0.98 0.00 0.00 173.24 170.43 1y77 n ASN 626 N -1.83 0.00 -1.03 7.02 2.85 -1.26 -3.10 115.26 117.91 1y77 n ASN 626 Ca 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.48 1y77 n ASN 626 Cb 0.58 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.60 1y77 n ASN 626 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1y77 n GLY 627 N 0.00 0.12 3.61 8.20 0.00 -1.26 -4.62 105.19 111.24 1y77 n GLY 627 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1y77 n GLY 627 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1y77 s GLY 628 N 1.03 1.58 0.09 -0.02 0.00 -1.18 -4.85 107.32 103.97 1y77 s GLY 628 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 44.72 44.32 1y77 s GLY 628 CO 0.00 0.49 1.65 -2.00 0.00 0.00 0.00 173.10 173.25 1y77 h LEU 629 N -2.13 -0.63 0.25 0.66 6.46 -1.60 -2.15 115.31 116.17 1y77 h LEU 629 Ca -0.55 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.26 1y77 h LEU 629 Cb 1.32 0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 41.42 1y77 h LEU 629 CO 0.53 -0.36 -0.49 0.40 -0.62 0.00 0.00 178.44 177.89 1y77 h ILE 630 N -0.55 0.00 -1.03 4.05 2.04 -1.85 -0.85 117.51 119.31 1y77 h ILE 630 Ca -0.02 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.23 1y77 h ILE 630 Cb 0.49 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.43 1y77 h ILE 630 CO -0.02 0.00 0.63 1.57 0.00 0.00 0.00 178.15 180.33 1y77 n HIS 631 N -5.31 0.77 0.00 1.37 -0.00 -1.09 -1.67 115.22 109.29 1y77 n HIS 631 Ca -0.09 0.78 0.00 0.00 0.46 0.00 0.00 57.72 58.86 1y77 n HIS 631 Cb 0.41 -1.19 0.00 0.00 -0.12 0.00 0.00 29.99 29.09 1y77 n HIS 631 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 1y77 n VAL 632 N -4.62 0.00 -0.16 3.57 0.31 -0.40 -3.15 118.33 113.88 1y77 n VAL 632 Ca 0.33 0.47 0.01 0.00 -0.01 0.00 0.00 64.34 65.14 1y77 n VAL 632 Cb 1.23 -1.14 0.04 0.00 -0.91 0.00 0.00 33.84 33.07 1y77 n VAL 632 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1y77 n VAL 633 N -1.41 -0.20 0.21 2.52 0.31 -0.74 0.14 118.33 119.16 1y77 n VAL 633 Ca 0.00 0.98 -0.12 0.00 -0.01 0.00 0.00 64.34 65.19 1y77 n VAL 633 Cb 0.00 -1.33 -0.07 0.00 -0.91 0.00 0.00 33.84 31.53 1y77 n VAL 633 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1y77 h THR 634 N 0.00 0.00 0.00 2.52 2.02 -1.46 0.54 112.91 116.53 1y77 h THR 634 Ca 0.18 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 1y77 h THR 634 Cb 0.29 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1y77 h THR 634 CO -0.43 0.00 -0.02 0.03 0.37 0.00 0.00 175.52 175.47 1y77 h ARG 635 N -0.69 0.00 0.00 6.66 2.47 -0.25 -2.67 114.38 119.90 1y77 h ARG 635 Ca -0.05 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 1y77 h ARG 635 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 1y77 h ARG 635 CO -0.03 0.02 -0.08 -1.91 0.56 0.00 0.00 179.97 178.53 1y77 n GLU 636 N -3.33 0.05 0.03 0.04 4.07 0.10 -4.78 120.64 116.82 1y77 n GLU 636 Ca -0.02 0.10 -0.12 0.00 -0.06 0.00 0.00 57.16 57.06 1y77 n GLU 636 Cb 0.14 -0.67 0.01 0.00 -0.06 0.00 0.00 31.44 30.86 1y77 n GLU 636 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1y77 h LYS 637 N -0.10 0.53 0.00 5.31 1.79 -0.06 -3.50 116.57 120.54 1y77 h LYS 637 Ca 0.00 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1y77 h LYS 637 Cb 0.08 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 1y77 h LYS 637 CO 0.00 1.04 0.00 0.41 -1.08 0.00 0.00 179.45 179.82 1y77 n GLY 638 N 0.54 3.61 0.09 3.86 0.00 -1.01 -4.78 105.19 107.52 1y77 n GLY 638 Ca -0.05 -1.34 -0.06 0.00 0.00 0.00 0.00 46.02 44.58 1y77 n GLY 638 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y77 h PRO 639 N 0.00 0.03 -0.14 1.61 0.13 -1.88 -2.76 132.00 128.99 1y77 h PRO 639 Ca 0.00 -0.04 -0.18 0.00 -0.87 0.00 0.00 66.00 64.92 1y77 h PRO 639 Cb 0.00 0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.15 1y77 h PRO 639 CO 0.00 0.88 -0.60 1.96 -0.23 0.00 0.00 178.00 180.01 1y77 h GLN 640 N 0.01 0.65 -0.34 0.86 1.08 -1.92 -2.76 115.11 112.69 1y77 h GLN 640 Ca -0.02 -0.52 -0.07 0.00 -1.45 0.00 0.00 58.65 56.60 1y77 h GLN 640 Cb 1.53 0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 29.05 1y77 h GLN 640 CO 0.12 1.14 -0.09 0.28 -0.95 0.00 0.00 178.83 179.32 1y77 h VAL 641 N 0.32 1.23 0.00 -0.54 2.07 -1.86 -2.36 116.25 115.11 1y77 h VAL 641 Ca -0.04 -1.01 -0.14 0.00 0.82 0.00 0.00 66.70 66.34 1y77 h VAL 641 Cb 1.24 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1y77 h VAL 641 CO 0.13 0.34 -0.67 0.00 0.02 0.00 0.00 177.57 177.38 1y77 h ALA 643 N 1.33 0.73 0.00 0.00 0.00 -1.18 -2.74 119.26 117.41 1y77 h ALA 643 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.36 1y77 h ALA 643 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1y77 h ALA 643 CO 0.09 0.67 -0.29 -0.22 0.00 0.00 0.00 179.25 179.50 1y77 h LYS 644 N 0.49 0.00 -0.01 0.00 3.64 -1.21 -3.10 116.57 116.38 1y77 h LYS 644 Ca 0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1y77 h LYS 644 Cb 1.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1y77 h LYS 644 CO 0.09 0.29 0.00 1.25 -2.27 0.00 0.00 179.45 178.82 1y77 h LEU 645 N 0.00 0.01 -0.70 5.20 5.85 -1.13 -2.28 115.31 122.26 1y77 h LEU 645 Ca -0.00 -0.12 0.15 0.00 0.84 0.00 0.00 57.88 58.75 1y77 h LEU 645 Cb 0.53 -0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.44 1y77 h LEU 645 CO 0.04 0.13 -0.00 -0.26 -0.34 0.00 0.00 178.44 178.00 1y77 h PHE 646 N -0.11 -0.06 -0.01 1.25 -1.00 -1.51 -1.07 116.94 114.43 1y77 h PHE 646 Ca 0.00 0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.84 1y77 h PHE 646 Cb 0.12 0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1y77 h PHE 646 CO -0.04 -0.21 -0.06 0.78 -1.61 0.00 0.00 178.31 177.17 1y77 h GLY 647 N 0.10 -1.47 0.00 -1.45 0.00 -1.47 -0.88 103.07 97.91 1y77 h GLY 647 Ca 0.37 0.65 0.00 0.00 0.00 0.00 0.00 47.33 48.36 1y77 h GLY 647 CO -0.61 -0.54 0.00 0.70 0.00 0.00 0.00 176.54 176.09 1y77 n ASN 648 N -2.87 0.00 -0.24 0.19 3.02 -0.87 -1.42 115.26 113.07 1y77 n ASN 648 Ca -0.01 0.90 -0.05 0.00 -0.03 0.00 0.00 54.58 55.39 1y77 n ASN 648 Cb 0.04 -0.40 -0.04 0.00 -0.61 0.00 0.00 39.78 38.77 1y77 n ASN 648 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1y77 n ILE 649 N -2.27 -0.38 0.12 2.41 5.41 -0.46 -0.83 119.36 123.36 1y77 n ILE 649 Ca 0.00 1.39 -0.13 0.00 1.00 0.00 0.00 62.75 65.00 1y77 n ILE 649 Cb 0.00 -1.73 -0.08 0.00 -0.71 0.00 0.00 39.64 37.12 1y77 n ILE 649 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 1y77 h GLN 650 N 0.00 -0.62 -0.49 0.38 4.20 -0.71 -0.74 115.11 117.13 1y77 h GLN 650 Ca 0.11 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.93 1y77 h GLN 650 Cb 0.25 0.14 -0.10 0.00 0.30 0.00 0.00 27.48 28.08 1y77 h GLN 650 CO -0.55 -0.41 -0.48 0.87 -0.67 0.00 0.00 178.83 177.60 1y77 h LYS 651 N -0.64 -0.29 0.00 1.46 1.57 0.22 0.73 116.57 119.61 1y77 h LYS 651 Ca -0.01 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1y77 h LYS 651 Cb 0.62 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1y77 h LYS 651 CO -0.20 -0.19 0.00 0.28 -0.57 0.00 0.00 179.45 178.77 1y77 n VAL 652 N -5.40 0.00 -0.03 0.50 0.31 -0.66 -0.83 118.33 112.23 1y77 n VAL 652 Ca -0.00 1.39 -0.01 0.00 -0.01 0.00 0.00 64.34 65.71 1y77 n VAL 652 Cb 0.35 -2.18 -0.01 0.00 -0.91 0.00 0.00 33.84 31.08 1y77 n VAL 652 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1y77 h VAL 653 N 0.00 0.00 -0.85 2.52 2.07 -0.85 -1.45 116.25 117.70 1y77 h VAL 653 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1y77 h VAL 653 Cb 0.00 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.61 1y77 h VAL 653 CO 0.00 0.00 -0.23 0.59 0.02 0.00 0.00 177.57 177.95 1y77 n ASN 654 N -3.13 -0.34 -0.04 0.57 3.02 0.25 0.43 115.26 116.03 1y77 n ASN 654 Ca 0.00 1.46 0.02 0.00 -0.03 0.00 0.00 54.58 56.03 1y77 n ASN 654 Cb 0.03 -0.43 0.34 0.00 -0.61 0.00 0.00 39.78 39.11 1y77 n ASN 654 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 1y77 h PHE 655 N 0.00 0.61 0.31 3.10 3.57 0.05 0.17 116.94 124.75 1y77 h PHE 655 Ca 0.39 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.86 1y77 h PHE 655 Cb 0.60 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.15 1y77 h PHE 655 CO -0.66 0.46 -0.15 2.35 -2.23 0.00 0.00 178.31 178.07 1y77 h TRP 656 N 0.63 -0.38 0.00 0.41 7.01 0.67 -3.04 115.95 121.24 1y77 h TRP 656 Ca 0.16 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1y77 h TRP 656 Cb 0.07 0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.26 1y77 h TRP 656 CO 0.00 -0.23 0.22 1.25 -2.79 0.00 0.00 178.44 176.90 1y77 h LEU 657 N -1.11 0.00 -1.03 0.65 5.85 -1.01 0.19 115.31 118.85 1y77 h LEU 657 Ca -0.04 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 1y77 h LEU 657 Cb 0.33 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 1y77 h LEU 657 CO 0.07 0.00 0.35 0.25 -0.34 0.00 0.00 178.44 178.77 1y77 h LEU 658 N 0.00 0.93 0.02 2.25 5.85 -0.53 -2.62 115.31 121.22 1y77 h LEU 658 Ca 0.00 -0.10 -0.38 0.00 0.84 0.00 0.00 57.88 58.24 1y77 h LEU 658 Cb 0.44 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1y77 h LEU 658 CO 0.00 0.79 -2.17 1.41 -0.34 0.00 0.00 178.44 178.13 1y77 n HIS 659 N -4.33 0.44 0.00 1.25 8.25 0.42 -4.20 115.22 117.05 1y77 n HIS 659 Ca 0.07 0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 1y77 n HIS 659 Cb 0.14 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.19 1y77 n HIS 659 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1y77 n ASN 660 N -3.87 0.00 -0.87 0.41 5.15 0.21 -4.91 115.26 111.36 1y77 n ASN 660 Ca -0.44 0.15 0.07 0.00 -0.60 0.00 0.00 54.58 53.77 1y77 n ASN 660 Cb 0.90 -0.15 -0.03 0.00 -0.53 0.00 0.00 39.78 39.97 1y77 n ASN 660 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1y77 n GLY 661 N -1.10 -1.16 3.62 8.20 0.00 -0.99 -5.00 105.19 108.76 1y77 n GLY 661 Ca 0.00 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 1y77 n GLY 661 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y77 s PHE 662 N -3.96 -0.15 0.03 1.61 5.36 -1.26 -4.98 117.98 114.62 1y77 s PHE 662 Ca 0.00 0.27 -0.05 0.00 -0.96 0.00 0.00 56.93 56.19 1y77 s PHE 662 Cb 0.00 0.48 0.02 0.00 -0.34 0.00 0.00 43.02 43.17 1y77 s PHE 662 CO 0.00 -0.13 0.25 0.45 -1.46 0.00 0.00 175.22 174.33 1y77 n SER 663 N 0.75 -0.35 -3.60 6.13 2.88 -1.26 -5.19 113.62 112.98 1y77 n SER 663 Ca -0.04 -1.16 -0.16 0.00 -1.33 0.00 0.00 58.87 56.18 1y77 n SER 663 Cb 0.58 0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 64.54 1y77 n SER 663 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1y77 s THR 664 N -2.36 0.00 -0.07 2.46 2.01 -1.26 -4.72 115.64 111.71 1y77 s THR 664 Ca 0.06 -0.02 -0.30 0.00 0.31 0.00 0.00 61.69 61.74 1y77 s THR 664 Cb -0.00 -0.96 0.09 0.00 0.01 0.00 0.00 72.50 71.64 1y77 s THR 664 CO 0.01 -0.01 0.78 -0.83 -0.69 0.00 0.00 174.62 173.88 1y77 s GLY 665 N -0.34 -0.48 0.00 4.40 0.00 -1.26 -5.05 107.32 104.59 1y77 s GLY 665 Ca -0.05 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.13 1y77 s GLY 665 CO 0.05 0.90 0.00 0.29 0.00 0.00 0.00 173.10 174.34 1y77 n ILE 666 N 0.72 0.00 0.25 0.90 -6.64 -1.26 0.16 119.36 113.49 1y77 n ILE 666 Ca -0.16 0.00 0.18 0.00 -1.77 0.00 0.00 62.75 61.00 1y77 n ILE 666 Cb 0.58 0.00 0.90 0.00 -1.44 0.00 0.00 39.64 39.68 1y77 n ILE 666 CO 0.00 0.00 0.00 1.23 -1.77 0.00 0.00 176.55 176.01 1y77 h GLY 667 N 0.00 0.00 2.00 3.28 0.00 -1.96 0.53 103.07 106.92 1y77 h GLY 667 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y77 h GLY 667 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.54 175.99 1y77 h ASP 668 N 0.00 0.00 -0.16 0.19 3.32 0.11 -3.16 116.42 116.73 1y77 h ASP 668 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1y77 h ASP 668 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1y77 h ASP 668 CO -0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 1y77 n THR 669 N -2.39 0.18 -4.04 0.35 -2.24 0.19 -4.84 114.28 101.49 1y77 n THR 669 Ca 0.05 -0.52 -0.34 0.00 -2.27 0.00 0.00 64.05 60.97 1y77 n THR 669 Cb 0.42 1.06 -0.15 0.00 -2.10 0.00 0.00 70.33 69.56 1y77 n THR 669 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1y77 s ILE 670 N -1.82 2.56 0.33 2.28 1.01 -1.17 -4.11 121.20 120.27 1y77 s ILE 670 Ca 0.33 -0.79 0.07 0.00 0.00 0.00 0.00 60.65 60.27 1y77 s ILE 670 Cb 0.21 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1y77 s ILE 670 CO 0.31 0.48 0.35 0.00 0.00 0.00 0.00 174.94 176.09 1y77 s ALA 671 N 1.36 3.98 -0.10 9.38 0.00 -1.26 -4.99 121.76 130.12 1y77 s ALA 671 Ca 0.05 -1.56 -0.19 0.00 0.00 0.00 0.00 51.96 50.26 1y77 s ALA 671 Cb -0.14 -1.38 -0.09 0.00 0.00 0.00 0.00 23.12 21.52 1y77 s ALA 671 CO -0.09 0.01 0.59 -3.47 0.00 0.00 0.00 175.76 172.80 1y77 n ASP 672 N -1.46 0.25 -0.24 0.00 2.03 -1.26 -4.67 116.55 111.20 1y77 n ASP 672 Ca -0.02 0.53 -0.01 0.00 0.52 0.00 0.00 54.79 55.81 1y77 n ASP 672 Cb 0.59 -0.40 0.06 0.00 -0.72 0.00 0.00 41.12 40.65 1y77 n ASP 672 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1y77 h GLY 673 N 1.76 0.34 1.07 0.27 0.00 -2.00 0.58 103.07 105.10 1y77 h GLY 673 Ca -0.21 0.30 0.01 0.00 0.00 0.00 0.00 47.33 47.43 1y77 h GLY 673 CO 0.36 -0.26 0.61 -0.56 0.00 0.00 0.00 176.54 176.70 1y77 h PRO 674 N -0.05 1.20 0.00 4.80 0.13 -2.00 0.85 132.00 136.93 1y77 h PRO 674 Ca 0.32 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.37 1y77 h PRO 674 Cb 0.54 -0.27 -0.00 0.00 0.13 0.00 0.00 31.00 31.40 1y77 h PRO 674 CO -0.73 0.79 -0.00 1.15 -0.23 0.00 0.00 178.00 178.98 1y77 h THR 675 N 1.23 0.50 0.11 1.56 2.02 -1.24 0.25 112.91 117.35 1y77 h THR 675 Ca 0.34 -0.02 -0.01 0.00 0.77 0.00 0.00 66.41 67.50 1y77 h THR 675 Cb -0.12 1.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1y77 h THR 675 CO -0.08 0.00 -0.05 0.24 0.37 0.00 0.00 175.52 176.00 1y77 h MET 676 N 0.00 -0.15 -0.82 6.66 2.86 -0.04 -2.74 114.93 120.69 1y77 h MET 676 Ca -0.00 0.01 0.19 0.00 -2.06 0.00 0.00 59.70 57.84 1y77 h MET 676 Cb 0.01 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 31.58 1y77 h MET 676 CO 0.00 -0.10 0.27 -0.09 1.06 0.00 0.00 176.91 178.06 1y77 h ARG 677 N -0.31 0.31 -0.58 1.72 2.43 -1.23 1.34 114.38 118.06 1y77 h ARG 677 Ca -0.02 -0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.30 1y77 h ARG 677 Cb 0.12 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1y77 h ARG 677 CO 0.03 0.21 0.45 1.49 -1.51 0.00 0.00 179.97 180.63 1y77 h GLU 678 N 0.32 0.00 0.00 0.20 4.81 -0.58 -1.72 114.58 117.61 1y77 h GLU 678 Ca 0.49 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.61 1y77 h GLU 678 Cb 0.90 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.26 1y77 h GLU 678 CO -0.54 0.00 -0.64 0.82 -0.73 0.00 0.00 179.01 177.93 1y77 h ILE 679 N 0.00 1.18 -1.28 2.32 2.04 0.19 -2.95 117.51 119.01 1y77 h ILE 679 Ca 0.28 -2.12 0.42 0.00 1.00 0.00 0.00 64.86 64.44 1y77 h ILE 679 Cb 1.18 2.46 -0.13 0.00 -0.74 0.00 0.00 36.82 39.58 1y77 h ILE 679 CO -0.00 0.40 0.82 0.74 0.00 0.00 0.00 178.15 180.10 1y77 h THR 680 N -1.00 0.14 0.00 -0.27 2.02 0.08 1.45 112.91 115.33 1y77 h THR 680 Ca -0.17 -0.03 -0.21 0.00 0.77 0.00 0.00 66.41 66.77 1y77 h THR 680 Cb 1.07 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1y77 h THR 680 CO -0.10 0.02 -1.31 1.05 0.37 0.00 0.00 175.52 175.55 1y77 h GLU 681 N 0.10 0.00 0.00 6.66 4.11 -1.54 -2.25 114.58 121.66 1y77 h GLU 681 Ca 0.81 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 60.22 1y77 h GLU 681 Cb 2.49 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.74 1y77 h GLU 681 CO -0.44 0.54 -0.11 1.15 0.07 0.00 0.00 179.01 180.22 1y77 h THR 682 N 0.00 0.36 0.00 -1.06 2.02 0.20 1.38 112.91 115.81 1y77 h THR 682 Ca -0.15 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 1y77 h THR 682 Cb 1.75 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.62 1y77 h THR 682 CO 0.08 0.10 -0.31 0.40 0.37 0.00 0.00 175.52 176.17 1y77 h ILE 683 N 0.00 1.08 -0.18 3.11 2.04 -0.69 -3.24 117.51 119.63 1y77 h ILE 683 Ca -0.00 -1.91 0.02 0.00 1.00 0.00 0.00 64.86 63.96 1y77 h ILE 683 Cb 0.46 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 1y77 h ILE 683 CO 0.01 0.37 0.12 0.00 0.00 0.00 0.00 178.15 178.65 1y77 h ALA 684 N -0.40 1.95 0.00 1.87 0.00 -0.91 0.25 119.26 122.02 1y77 h ALA 684 Ca -0.07 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1y77 h ALA 684 Cb 0.81 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1y77 h ALA 684 CO -0.04 0.03 -0.32 1.05 0.00 0.00 0.00 179.25 179.97 1y77 h GLU 685 N 0.18 0.00 0.00 0.00 4.11 0.17 -1.79 114.58 117.24 1y77 h GLU 685 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 1y77 h GLU 685 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1y77 h GLU 685 CO -0.01 0.32 -0.28 0.00 0.07 0.00 0.00 179.01 179.11 1y77 n ALA 686 N -2.33 2.65 0.13 1.06 0.00 0.76 -2.41 120.51 120.36 1y77 n ALA 686 Ca -0.01 -0.15 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 1y77 n ALA 686 Cb 0.43 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.40 1y77 n ALA 686 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1y77 h LYS 687 N 0.00 0.46 0.00 0.00 1.57 -0.33 -3.20 116.57 115.07 1y77 h LYS 687 Ca 0.00 -0.79 -0.12 0.00 -1.87 0.00 0.00 60.65 57.88 1y77 h LYS 687 Cb 0.68 0.29 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 1y77 h LYS 687 CO 0.00 1.38 -0.56 0.87 -0.57 0.00 0.00 179.45 180.57 1y77 h LYS 688 N 0.13 0.00 0.00 3.15 1.57 -1.55 0.19 116.57 120.06 1y77 h LYS 688 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 1y77 h LYS 688 Cb 2.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.43 1y77 h LYS 688 CO 0.25 0.56 0.00 -0.22 -0.57 0.00 0.00 179.45 179.47 1y77 h LYS 689 N 0.00 0.00 0.00 3.15 3.64 -1.54 -2.16 116.57 119.66 1y77 h LYS 689 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1y77 h LYS 689 Cb 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1y77 h LYS 689 CO 0.07 0.00 -0.60 0.28 -2.27 0.00 0.00 179.45 176.93 1y77 n VAL 690 N -2.48 1.39 -0.34 2.00 0.31 -0.91 -4.06 118.33 114.24 1y77 n VAL 690 Ca 0.01 0.21 0.07 0.00 -0.01 0.00 0.00 64.34 64.62 1y77 n VAL 690 Cb 0.23 -2.36 0.15 0.00 -0.91 0.00 0.00 33.84 30.96 1y77 n VAL 690 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1y77 h LEU 691 N -0.97 -0.83 -0.38 7.52 5.85 -0.59 0.48 115.31 126.40 1y77 h LEU 691 Ca 0.00 0.29 0.08 0.00 0.84 0.00 0.00 57.88 59.08 1y77 h LEU 691 Cb 0.60 0.58 -0.08 0.00 0.37 0.00 0.00 40.66 42.13 1y77 h LEU 691 CO 0.00 -0.32 -0.15 0.44 -0.34 0.00 0.00 178.44 178.07 1y77 h ASP 692 N 0.00 -0.53 0.97 1.25 5.19 -1.61 0.30 116.42 122.00 1y77 h ASP 692 Ca 0.48 0.13 0.00 0.00 -0.62 0.00 0.00 57.03 57.02 1y77 h ASP 692 Cb 0.78 0.30 0.00 0.00 0.18 0.00 0.00 39.33 40.59 1y77 h ASP 692 CO -0.97 -0.19 0.00 0.58 -3.12 0.00 0.00 179.24 175.54 1y77 h VAL 693 N -0.08 0.00 0.06 -1.35 2.07 -0.37 0.37 116.25 116.95 1y77 h VAL 693 Ca 0.19 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1y77 h VAL 693 Cb 0.37 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1y77 h VAL 693 CO -0.43 0.00 -0.03 0.74 0.02 0.00 0.00 177.57 177.87 1y77 h THR 694 N 0.00 1.27 -0.34 2.57 2.02 0.28 -3.02 112.91 115.69 1y77 h THR 694 Ca 0.00 -1.32 -0.17 0.00 0.77 0.00 0.00 66.41 65.69 1y77 h THR 694 Cb 0.49 2.10 -0.00 0.00 -1.74 0.00 0.00 68.15 68.99 1y77 h THR 694 CO 0.00 0.32 -0.44 0.11 0.37 0.00 0.00 175.52 175.87 1y77 h LYS 695 N -0.70 0.87 0.00 6.66 1.57 -0.86 -1.65 116.57 122.47 1y77 h LYS 695 Ca -0.01 -0.49 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 1y77 h LYS 695 Cb 0.58 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1y77 h LYS 695 CO 0.01 1.13 0.08 -1.91 -0.57 0.00 0.00 179.45 178.20 1y77 n GLU 696 N -4.03 0.00 -0.00 3.15 2.13 0.13 0.21 120.64 122.22 1y77 n GLU 696 Ca -0.03 0.40 0.02 0.00 0.66 0.00 0.00 57.16 58.21 1y77 n GLU 696 Cb 0.57 -1.58 -0.03 0.00 0.27 0.00 0.00 31.44 30.67 1y77 n GLU 696 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1y77 n ALA 697 N -1.39 2.27 1.55 4.31 0.00 -0.98 -3.18 120.51 123.09 1y77 n ALA 697 Ca 0.00 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.35 1y77 n ALA 697 Cb 0.08 -0.13 0.04 0.00 0.00 0.00 0.00 19.45 19.44 1y77 n ALA 697 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1y77 n GLN 698 N -1.43 1.23 0.00 0.00 6.02 0.13 -2.68 117.38 120.65 1y77 n GLN 698 Ca -0.00 -0.30 0.00 0.00 -0.01 0.00 0.00 57.00 56.69 1y77 n GLN 698 Cb 0.08 -1.17 0.00 0.00 1.02 0.00 0.00 30.24 30.18 1y77 n GLN 698 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1y77 n ALA 699 N -0.20 1.40 -2.71 -1.58 0.00 -1.09 -5.01 120.51 111.31 1y77 n ALA 699 Ca 0.03 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.09 1y77 n ALA 699 Cb 0.12 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.60 1y77 n ALA 699 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1y77 n ASN 700 N -0.06 -3.98 -1.58 0.00 5.15 -1.09 -4.93 115.26 108.77 1y77 n ASN 700 Ca 0.00 -0.17 0.06 0.00 -0.60 0.00 0.00 54.58 53.87 1y77 n ASN 700 Cb 0.10 -2.83 0.35 0.00 -0.53 0.00 0.00 39.78 36.87 1y77 n ASN 700 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1y77 n LEU 701 N -2.31 5.18 -4.41 1.20 4.77 -1.19 -4.94 117.00 115.30 1y77 n LEU 701 Ca -0.05 -3.02 -0.34 0.00 -0.03 0.00 0.00 56.01 52.57 1y77 n LEU 701 Cb 0.56 -0.65 -0.13 0.00 -2.33 0.00 0.00 43.42 40.87 1y77 n LEU 701 CO 0.26 0.68 -0.38 -0.76 -1.33 0.00 0.00 177.39 175.86 1y77 s LEU 702 N -2.83 3.03 -0.11 2.23 1.43 -1.25 -4.96 118.68 116.22 1y77 s LEU 702 Ca 0.51 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 53.06 1y77 s LEU 702 Cb 0.40 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.83 1y77 s LEU 702 CO 0.13 0.11 1.71 -0.89 0.23 0.00 0.00 176.35 177.63 1y77 s THR 703 N 0.73 3.53 -0.55 5.49 2.01 -1.26 -4.92 115.64 120.67 1y77 s THR 703 Ca -0.03 0.63 -0.27 0.00 0.31 0.00 0.00 61.69 62.33 1y77 s THR 703 Cb -0.15 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 1y77 s THR 703 CO 0.02 -0.12 1.91 0.00 -0.69 0.00 0.00 174.62 175.74 1y77 s ALA 704 N 4.69 2.23 0.51 7.40 0.00 -1.26 -4.95 121.76 130.37 1y77 s ALA 704 Ca 0.76 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 52.07 1y77 s ALA 704 Cb -0.32 -4.26 -0.08 0.00 0.00 0.00 0.00 23.12 18.47 1y77 s ALA 704 CO 0.31 -3.74 1.04 1.63 0.00 0.00 0.00 175.76 175.00 1y77 n LYS 705 N 9.04 1.26 -1.74 0.00 5.02 -1.26 -4.86 118.16 125.60 1y77 n LYS 705 Ca 0.23 0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 1y77 n LYS 705 Cb 0.51 -2.17 -0.02 0.00 -0.02 0.00 0.00 35.03 33.34 1y77 n LYS 705 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1y77 n HIS 706 N -1.02 2.86 -1.86 2.13 -0.00 -1.26 -2.94 115.22 113.13 1y77 n HIS 706 Ca 0.11 0.24 -0.09 0.00 -0.00 0.00 0.00 57.72 57.97 1y77 n HIS 706 Cb 0.43 -2.60 -0.02 0.00 -0.00 0.00 0.00 29.99 27.80 1y77 n HIS 706 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1y77 n GLY 707 N 2.25 0.38 3.33 1.57 0.00 -1.26 -5.01 105.19 106.45 1y77 n GLY 707 Ca 0.09 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 1y77 n GLY 707 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1y77 s MET 708 N -3.88 0.49 0.75 1.61 1.00 -1.15 -5.08 119.30 113.03 1y77 s MET 708 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 55.69 56.24 1y77 s MET 708 Cb 0.00 0.15 0.03 0.00 0.00 0.00 0.00 34.83 35.01 1y77 s MET 708 CO 0.00 -0.10 1.08 2.41 0.00 0.00 0.00 175.02 178.41 1y77 n THR 709 N 3.40 2.76 0.22 2.05 -1.04 -1.26 -4.50 114.28 115.91 1y77 n THR 709 Ca -0.17 -0.33 0.13 0.00 -2.04 0.00 0.00 64.05 61.64 1y77 n THR 709 Cb 0.56 -1.17 0.74 0.00 -1.82 0.00 0.00 70.33 68.64 1y77 n THR 709 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1y77 h LEU 710 N -0.41 0.00 0.37 -4.42 4.07 -1.97 0.87 115.31 113.82 1y77 h LEU 710 Ca -0.47 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.47 1y77 h LEU 710 Cb 1.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.06 1y77 h LEU 710 CO 0.47 0.00 -0.18 -0.09 -1.08 0.00 0.00 178.44 177.56 1y77 h ARG 711 N 0.00 -0.48 -1.08 1.13 9.65 -2.00 -2.45 114.38 119.15 1y77 h ARG 711 Ca 0.05 0.03 0.29 0.00 -1.10 0.00 0.00 59.98 59.26 1y77 h ARG 711 Cb 0.24 0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 28.84 1y77 h ARG 711 CO -0.00 -0.32 0.72 0.93 2.80 0.00 0.00 179.97 184.10 1y77 h GLU 712 N -1.10 0.26 0.00 0.20 5.08 -1.70 0.58 114.58 117.90 1y77 h GLU 712 Ca -0.05 -0.02 -0.17 0.00 -1.00 0.00 0.00 59.36 58.13 1y77 h GLU 712 Cb 0.38 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1y77 h GLU 712 CO 0.08 0.17 -0.79 0.77 -1.00 0.00 0.00 179.01 178.25 1y77 h SER 713 N 0.27 0.00 0.16 1.42 0.02 -0.89 -2.64 113.55 111.89 1y77 h SER 713 Ca 0.59 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.53 1y77 h SER 713 Cb 1.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.29 1y77 h SER 713 CO -0.22 0.79 -0.08 0.15 -1.14 0.00 0.00 176.83 176.33 1y77 h PHE 714 N 0.00 -0.20 0.33 3.45 3.57 0.65 -3.26 116.94 121.48 1y77 h PHE 714 Ca -0.01 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1y77 h PHE 714 Cb 1.42 0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1y77 h PHE 714 CO 0.00 0.13 -0.16 0.93 -2.23 0.00 0.00 178.31 176.98 1y77 h GLU 715 N -0.55 -0.44 -0.92 1.11 4.39 -1.46 -2.78 114.58 113.93 1y77 h GLU 715 Ca -0.02 0.03 0.38 0.00 0.34 0.00 0.00 59.36 60.09 1y77 h GLU 715 Cb 0.42 0.10 -0.16 0.00 -0.10 0.00 0.00 28.75 29.01 1y77 h GLU 715 CO 0.04 -0.29 0.50 -3.47 -1.16 0.00 0.00 179.01 174.62 1y77 n ASP 716 N -5.29 0.31 -0.07 1.42 -0.08 -0.99 -0.36 116.55 111.49 1y77 n ASP 716 Ca -0.10 1.50 -0.13 0.00 -1.51 0.00 0.00 54.79 54.54 1y77 n ASP 716 Cb 0.20 -0.73 -0.12 0.00 2.34 0.00 0.00 41.12 42.81 1y77 n ASP 716 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1y77 h ASN 717 N 0.00 0.00 -0.81 1.67 2.35 -1.56 -3.16 115.58 114.07 1y77 h ASN 717 Ca 0.77 -0.95 0.10 0.00 -0.55 0.00 0.00 56.30 55.67 1y77 h ASN 717 Cb 2.06 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 40.31 1y77 h ASN 717 CO -0.69 0.98 -0.51 0.58 -1.65 0.00 0.00 177.43 176.14 1y77 h VAL 718 N -1.00 0.02 -0.22 2.81 2.07 -0.43 0.16 116.25 119.66 1y77 h VAL 718 Ca -0.00 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1y77 h VAL 718 Cb 0.95 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 1y77 h VAL 718 CO -0.00 0.00 -0.02 0.58 0.02 0.00 0.00 177.57 178.15 1y77 h VAL 719 N -0.11 0.82 -0.25 2.57 2.07 -1.49 -1.05 116.25 118.81 1y77 h VAL 719 Ca 0.19 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.76 1y77 h VAL 719 Cb 0.51 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1y77 h VAL 719 CO -0.84 0.01 0.24 -0.09 0.02 0.00 0.00 177.57 176.91 1y77 h ARG 720 N 0.05 0.00 0.08 1.57 2.43 -0.79 -0.44 114.38 117.27 1y77 h ARG 720 Ca 0.10 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1y77 h ARG 720 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1y77 h ARG 720 CO -0.19 0.00 -0.04 0.74 -1.51 0.00 0.00 179.97 178.97 1y77 h PHE 721 N 0.00 -0.10 -0.48 2.20 0.05 0.42 -2.12 116.94 116.92 1y77 h PHE 721 Ca 0.12 -0.00 0.10 0.00 3.82 0.00 0.00 57.97 62.00 1y77 h PHE 721 Cb 0.59 0.03 -0.10 0.00 2.00 0.00 0.00 35.95 38.47 1y77 h PHE 721 CO 0.00 -0.06 -0.26 -0.07 -0.18 0.00 0.00 178.31 177.74 1y77 h LEU 722 N -1.02 -0.88 -0.18 1.54 3.38 -0.99 0.14 115.31 117.30 1y77 h LEU 722 Ca -0.01 0.19 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1y77 h LEU 722 Cb 0.08 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1y77 h LEU 722 CO 0.02 -0.27 0.10 0.78 0.09 0.00 0.00 178.44 179.15 1y77 h ASN 723 N -0.15 0.22 -1.05 -0.43 2.35 -1.24 0.43 115.58 115.71 1y77 h ASN 723 Ca 0.22 -0.09 0.29 0.00 -0.55 0.00 0.00 56.30 56.18 1y77 h ASN 723 Cb 0.50 -0.06 -0.05 0.00 0.05 0.00 0.00 38.32 38.76 1y77 h ASN 723 CO -0.57 0.25 0.73 -0.08 -1.65 0.00 0.00 177.43 176.11 1y77 h GLU 724 N 0.19 0.10 0.14 0.81 4.81 -0.47 -0.06 114.58 120.11 1y77 h GLU 724 Ca 0.06 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 1y77 h GLU 724 Cb 0.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1y77 h GLU 724 CO -0.01 0.07 -0.07 0.00 -0.73 0.00 0.00 179.01 178.27 1y77 h ALA 725 N 1.51 -0.27 -0.98 2.92 0.00 0.12 -3.12 119.26 119.43 1y77 h ALA 725 Ca 0.52 -0.04 0.35 0.00 0.00 0.00 0.00 54.91 55.74 1y77 h ALA 725 Cb 1.87 0.08 -0.18 0.00 0.00 0.00 0.00 17.79 19.55 1y77 h ALA 725 CO -0.08 -0.25 0.31 -2.13 0.00 0.00 0.00 179.25 177.10 1y77 n ARG 726 N -3.96 -0.07 0.11 0.00 0.63 0.13 -0.04 116.66 113.46 1y77 n ARG 726 Ca -0.02 1.40 -0.11 0.00 -0.92 0.00 0.00 57.85 58.20 1y77 n ARG 726 Cb 0.08 -2.39 -0.07 0.00 0.45 0.00 0.00 32.46 30.52 1y77 n ARG 726 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1y77 h ASP 727 N 0.00 -0.30 0.55 6.15 5.19 -1.21 -2.92 116.42 123.89 1y77 h ASP 727 Ca 0.73 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.92 1y77 h ASP 727 Cb 1.79 0.08 0.00 0.00 0.18 0.00 0.00 39.33 41.38 1y77 h ASP 727 CO -0.83 0.19 0.00 0.07 -3.12 0.00 0.00 179.24 175.55 1y77 h LYS 728 N -0.91 0.00 -0.54 3.56 2.10 -1.12 0.26 116.57 119.92 1y77 h LYS 728 Ca -0.04 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.52 1y77 h LYS 728 Cb 0.50 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.81 1y77 h LYS 728 CO 0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 179.45 177.49 1y77 h ALA 729 N 2.03 0.94 0.25 0.07 0.00 -0.45 -2.95 119.26 119.15 1y77 h ALA 729 Ca 0.00 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1y77 h ALA 729 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1y77 h ALA 729 CO 0.00 0.63 -0.12 0.78 0.00 0.00 0.00 179.25 180.54 1y77 h GLY 730 N 0.99 -0.35 0.44 0.00 0.00 -0.37 -2.98 103.07 100.80 1y77 h GLY 730 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.62 1y77 h GLY 730 CO 0.03 -0.13 0.50 0.54 0.00 0.00 0.00 176.54 177.49 1y77 n ARG 731 N -5.04 0.03 -0.08 4.80 1.74 -0.09 0.50 116.66 118.52 1y77 n ARG 731 Ca -0.09 0.35 -0.12 0.00 -0.77 0.00 0.00 57.85 57.22 1y77 n ARG 731 Cb 0.26 -2.08 -0.08 0.00 -1.02 0.00 0.00 32.46 29.54 1y77 n ARG 731 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1y77 h LEU 732 N 0.00 0.00 -1.24 0.55 3.38 -1.36 -3.25 115.31 113.39 1y77 h LEU 732 Ca 0.00 -0.40 -0.06 0.00 0.09 0.00 0.00 57.88 57.51 1y77 h LEU 732 Cb 1.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1y77 h LEU 732 CO 0.00 1.04 -0.12 0.00 0.09 0.00 0.00 178.44 179.45 1y77 h ALA 733 N -0.60 1.37 0.00 1.53 0.00 0.03 -1.10 119.26 120.51 1y77 h ALA 733 Ca -0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1y77 h ALA 733 Cb 0.83 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1y77 h ALA 733 CO -0.08 0.43 -0.02 1.49 0.00 0.00 0.00 179.25 181.07 1y77 h GLU 734 N 0.35 0.00 0.00 0.00 4.81 -0.57 -2.43 114.58 116.74 1y77 h GLU 734 Ca 0.07 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.07 1y77 h GLU 734 Cb 0.43 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.77 1y77 h GLU 734 CO 0.02 0.02 -2.19 0.28 -0.73 0.00 0.00 179.01 176.41 1y77 n VAL 735 N -4.02 0.86 1.90 0.32 0.31 -0.89 -4.28 118.33 112.53 1y77 n VAL 735 Ca -0.03 -0.70 0.15 0.00 -0.01 0.00 0.00 64.34 63.75 1y77 n VAL 735 Cb 0.10 -0.31 0.83 0.00 -0.91 0.00 0.00 33.84 33.56 1y77 n VAL 735 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1y77 n ASN 736 N -2.54 0.30 -4.62 4.52 2.85 -0.47 -4.69 115.26 110.61 1y77 n ASN 736 Ca -0.22 -1.14 -0.38 0.00 -0.11 0.00 0.00 54.58 52.73 1y77 n ASN 736 Cb 0.92 -0.00 -0.09 0.00 1.24 0.00 0.00 39.78 41.85 1y77 n ASN 736 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1y77 s LEU 737 N -1.96 4.06 0.74 1.20 1.43 -0.94 -4.60 118.68 118.61 1y77 s LEU 737 Ca 0.44 0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.65 1y77 s LEU 737 Cb 0.21 -2.34 0.04 0.00 0.03 0.00 0.00 46.19 44.13 1y77 s LEU 737 CO 0.35 -0.11 1.15 -0.54 0.23 0.00 0.00 176.35 177.43 1y77 s LYS 738 N 1.77 2.21 0.00 1.70 1.02 -1.26 -4.88 119.74 120.30 1y77 s LYS 738 Ca 0.13 1.53 0.00 0.00 0.02 0.00 0.00 55.97 57.66 1y77 s LYS 738 Cb -0.15 -1.86 0.02 0.00 -0.52 0.00 0.00 37.83 35.32 1y77 s LYS 738 CO 0.09 -1.73 0.19 -0.25 -0.92 0.00 0.00 175.35 172.73 1y77 n ASP 739 N -2.94 0.00 -0.00 2.83 9.92 -1.26 -0.01 116.55 125.09 1y77 n ASP 739 Ca 0.12 -0.24 0.03 0.00 -0.53 0.00 0.00 54.79 54.16 1y77 n ASP 739 Cb 0.51 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.95 1y77 n ASP 739 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1y77 n LEU 740 N -0.55 0.10 -4.72 0.64 -0.00 -1.26 -4.88 117.00 106.33 1y77 n LEU 740 Ca 0.00 -0.18 -0.42 0.00 -0.00 0.00 0.00 56.01 55.41 1y77 n LEU 740 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.39 1y77 n LEU 740 CO 0.00 0.02 1.34 0.21 -0.00 0.00 0.00 177.39 178.97 1y77 s ASN 741 N -2.27 6.44 0.04 1.45 2.47 0.98 -4.89 114.94 119.16 1y77 s ASN 741 Ca -0.01 2.79 -0.22 0.00 0.42 0.00 0.00 52.86 55.85 1y77 s ASN 741 Cb 0.04 -2.60 -0.12 0.00 -1.45 0.00 0.00 41.25 37.13 1y77 s ASN 741 CO 0.24 -0.93 1.33 0.78 -3.72 0.00 0.00 177.10 174.80 1y77 h ASN 742 N 6.89 -0.69 -0.99 -4.21 2.35 -1.87 -2.03 115.58 115.03 1y77 h ASN 742 Ca -0.43 0.03 0.37 0.00 -0.55 0.00 0.00 56.30 55.72 1y77 h ASN 742 Cb 1.20 0.18 -0.18 0.00 0.05 0.00 0.00 38.32 39.58 1y77 h ASN 742 CO 0.95 -0.47 0.38 0.52 -1.65 0.00 0.00 177.43 177.15 1y77 n VAL 743 N -4.12 -0.42 0.23 2.81 0.31 -1.26 0.24 118.33 116.12 1y77 n VAL 743 Ca -0.09 2.06 -0.14 0.00 -0.01 0.00 0.00 64.34 66.16 1y77 n VAL 743 Cb 0.31 -3.25 -0.08 0.00 -0.91 0.00 0.00 33.84 29.91 1y77 n VAL 743 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1y77 h LYS 744 N 0.00 -0.56 -0.94 5.55 3.64 -1.86 -2.02 116.57 120.39 1y77 h LYS 744 Ca 0.77 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 60.34 1y77 h LYS 744 Cb 1.92 0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 33.71 1y77 h LYS 744 CO -0.82 -0.26 -0.36 1.96 -2.27 0.00 0.00 179.45 177.70 1y77 h GLN 745 N -0.84 -0.02 -0.77 1.90 4.20 0.54 1.22 115.11 121.34 1y77 h GLN 745 Ca -0.06 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.73 1y77 h GLN 745 Cb 0.56 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 1y77 h GLN 745 CO 0.10 -0.01 0.50 0.52 -0.67 0.00 0.00 178.83 179.27 1y77 h MET 746 N -0.02 0.74 -0.30 1.46 2.86 -1.13 -0.35 114.93 118.19 1y77 h MET 746 Ca 0.35 -0.04 -0.12 0.00 -2.06 0.00 0.00 59.70 57.82 1y77 h MET 746 Cb 0.60 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1y77 h MET 746 CO -0.95 0.49 -0.31 0.28 1.06 0.00 0.00 176.91 177.48 1y77 h VAL 747 N 0.76 1.28 0.21 -2.22 2.07 0.21 -1.53 116.25 117.04 1y77 h VAL 747 Ca 0.34 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.41 1y77 h VAL 747 Cb 0.34 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1y77 h VAL 747 CO -0.12 0.46 -0.10 0.24 0.02 0.00 0.00 177.57 178.07 1y77 h MET 748 N 0.55 -0.27 -0.74 1.57 2.07 0.74 -2.87 114.93 115.99 1y77 h MET 748 Ca 0.06 0.02 0.13 0.00 -2.07 0.00 0.00 59.70 57.84 1y77 h MET 748 Cb 0.81 0.06 -0.05 0.00 -1.87 0.00 0.00 31.60 30.55 1y77 h MET 748 CO 0.07 0.10 0.49 0.00 1.07 0.00 0.00 176.91 178.63 1y77 h ALA 749 N -0.06 2.01 0.00 6.32 0.00 -1.20 -3.45 119.26 122.88 1y77 h ALA 749 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y77 h ALA 749 Cb 0.49 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1y77 h ALA 749 CO 0.05 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.51 1y77 n GLY 750 N -1.50 0.72 0.22 0.00 0.00 -0.63 -2.12 105.19 101.88 1y77 n GLY 750 Ca 0.13 -0.63 0.12 0.00 0.00 0.00 0.00 46.02 45.64 1y77 n GLY 750 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1y77 h SER 751 N 0.00 0.00 -4.17 1.61 4.64 -1.68 -3.48 113.55 110.47 1y77 h SER 751 Ca 0.00 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 1y77 h SER 751 Cb 0.14 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.03 1y77 h SER 751 CO 0.00 0.05 0.79 -0.54 -0.87 0.00 0.00 176.83 176.26 1y77 s LYS 752 N -3.28 0.34 0.55 4.77 -0.14 -1.22 -4.42 119.74 116.33 1y77 s LYS 752 Ca 0.05 -0.10 0.00 0.00 -1.36 0.00 0.00 55.97 54.56 1y77 s LYS 752 Cb 0.06 0.16 0.00 0.00 -1.68 0.00 0.00 37.83 36.37 1y77 s LYS 752 CO 0.65 -0.14 0.00 0.41 -0.76 0.00 0.00 175.35 175.51 1y77 n GLY 753 N -0.01 -3.14 1.52 -3.33 0.00 -1.26 -3.84 105.19 95.13 1y77 n GLY 753 Ca -0.01 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 1y77 n GLY 753 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y77 n SER 754 N -3.68 0.20 0.00 1.61 3.41 -1.26 -4.63 113.62 109.27 1y77 n SER 754 Ca -0.06 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.53 1y77 n SER 754 Cb 0.55 0.67 0.00 0.00 -0.26 0.00 0.00 64.21 65.17 1y77 n SER 754 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 1y77 n PHE 755 N -0.35 0.00 -0.15 7.33 7.35 -1.26 -2.30 117.46 128.08 1y77 n PHE 755 Ca 0.01 0.00 0.02 0.00 -0.76 0.00 0.00 57.45 56.72 1y77 n PHE 755 Cb 0.28 -0.32 0.05 0.00 0.35 0.00 0.00 39.48 39.84 1y77 n PHE 755 CO 0.00 0.00 0.00 -0.89 -0.76 0.00 0.00 176.76 175.11 1y77 n ILE 756 N -2.08 -0.18 -0.14 -2.13 2.08 -1.26 0.13 119.36 115.78 1y77 n ILE 756 Ca 0.00 0.96 -0.04 0.00 0.56 0.00 0.00 62.75 64.23 1y77 n ILE 756 Cb 0.00 -1.32 0.03 0.00 -0.75 0.00 0.00 39.64 37.61 1y77 n ILE 756 CO 0.00 0.00 0.00 0.78 0.56 0.00 0.00 176.55 177.89 1y77 h ASN 757 N 0.00 -0.35 0.06 4.38 2.35 -1.88 0.10 115.58 120.24 1y77 h ASN 757 Ca 0.19 0.13 0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1y77 h ASN 757 Cb 0.30 0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.88 1y77 h ASN 757 CO -0.43 -0.12 -0.25 0.40 -1.65 0.00 0.00 177.43 175.38 1y77 h ILE 758 N 0.03 0.44 0.00 2.81 2.04 0.11 -2.30 117.51 120.64 1y77 h ILE 758 Ca 0.22 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.08 1y77 h ILE 758 Cb 0.34 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1y77 h ILE 758 CO -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 178.15 177.70 1y77 h ALA 759 N 0.37 -0.58 -1.05 1.87 0.00 -1.02 -0.97 119.26 117.88 1y77 h ALA 759 Ca 0.05 -0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.26 1y77 h ALA 759 Cb 0.48 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1y77 h ALA 759 CO -0.18 -0.58 0.89 1.96 0.00 0.00 0.00 179.25 181.33 1y77 h GLN 760 N -0.01 0.00 0.03 0.00 4.20 -0.83 0.14 115.11 118.64 1y77 h GLN 760 Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 1y77 h GLN 760 Cb 0.01 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 1y77 h GLN 760 CO -0.00 0.00 -1.39 0.52 -0.67 0.00 0.00 178.83 177.29 1y77 h MET 761 N 0.00 0.06 0.08 1.46 2.86 -1.09 -0.61 114.93 117.69 1y77 h MET 761 Ca 0.50 -0.11 -0.35 0.00 -2.06 0.00 0.00 59.70 57.68 1y77 h MET 761 Cb 2.27 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 33.94 1y77 h MET 761 CO -0.01 1.05 -2.01 0.43 1.06 0.00 0.00 176.91 177.44 1y77 n SER 762 N -4.23 1.71 0.00 1.22 7.64 -0.40 -1.89 113.62 117.68 1y77 n SER 762 Ca -0.31 0.21 0.00 0.00 1.01 0.00 0.00 58.87 59.77 1y77 n SER 762 Cb 0.76 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 1y77 n SER 762 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y77 n ALA 763 N -2.91 0.11 -3.56 -0.43 0.00 0.44 -4.84 120.51 109.32 1y77 n ALA 763 Ca -0.30 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 52.98 1y77 n ALA 763 Cb 1.05 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.34 1y77 n ALA 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 n VAL 765 N 3.93 0.00 -0.67 0.00 0.31 -0.60 -3.70 118.33 117.60 1y77 n VAL 765 Ca -0.24 1.04 0.00 0.00 -0.01 0.00 0.00 64.34 65.12 1y77 n VAL 765 Cb 0.52 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1y77 n VAL 765 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1y77 n GLY 766 N -0.65 -1.30 3.48 2.92 0.00 -0.88 -4.61 105.19 104.15 1y77 n GLY 766 Ca 0.00 -1.53 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 1y77 n GLY 766 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1y77 s GLN 767 N -1.74 3.08 0.48 1.61 2.00 -1.26 0.35 119.66 124.17 1y77 s GLN 767 Ca 0.00 -0.81 -0.23 0.00 -2.00 0.00 0.00 55.36 52.32 1y77 s GLN 767 Cb 0.00 -3.97 -0.07 0.00 0.80 0.00 0.00 33.01 29.78 1y77 s GLN 767 CO 0.00 -0.82 1.27 -0.65 -0.50 0.00 0.00 175.29 174.59 1y77 s GLN 768 N 2.03 3.56 0.04 1.67 1.11 0.13 -4.96 119.66 123.24 1y77 s GLN 768 Ca 0.10 2.04 -0.06 0.00 0.01 0.00 0.00 55.36 57.45 1y77 s GLN 768 Cb -0.17 -2.42 -0.01 0.00 -1.01 0.00 0.00 33.01 29.40 1y77 s GLN 768 CO 0.13 -0.79 0.11 -1.54 0.01 0.00 0.00 175.29 173.20 1y77 s SER 769 N -1.07 0.17 -0.14 5.90 1.04 -1.26 -3.94 113.70 114.40 1y77 s SER 769 Ca 0.65 -0.56 -0.04 0.00 0.48 0.00 0.00 55.95 56.48 1y77 s SER 769 Cb -0.35 0.25 0.06 0.00 0.10 0.00 0.00 66.02 66.07 1y77 s SER 769 CO 0.43 -0.54 0.10 -0.69 0.98 0.00 0.00 173.24 173.51 1y77 s VAL 770 N -2.83 -0.13 -1.29 5.02 1.01 -1.12 -4.66 120.40 116.41 1y77 s VAL 770 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1y77 s VAL 770 Cb 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1y77 s VAL 770 CO -0.06 -0.15 0.00 -0.62 0.00 0.00 0.00 175.10 174.27 1y77 n GLU 771 N 5.29 -1.02 0.00 2.72 1.02 -1.26 -2.95 120.64 124.44 1y77 n GLU 771 Ca -0.06 0.80 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1y77 n GLU 771 Cb 0.49 -4.98 0.00 0.00 -0.02 0.00 0.00 31.44 26.93 1y77 n GLU 771 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y77 n GLY 772 N -1.15 2.29 3.66 0.62 0.00 -1.26 -4.98 105.19 104.37 1y77 n GLY 772 Ca -0.15 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.97 1y77 n GLY 772 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1y77 s LYS 773 N 0.00 4.24 0.57 1.61 1.02 -1.15 -4.95 119.74 121.08 1y77 s LYS 773 Ca 0.00 1.69 -0.19 0.00 0.02 0.00 0.00 55.97 57.49 1y77 s LYS 773 Cb 0.00 -3.75 -0.07 0.00 -0.52 0.00 0.00 37.83 33.49 1y77 s LYS 773 CO 0.00 -0.69 0.85 2.89 -0.92 0.00 0.00 175.35 177.48 1y77 n ARG 774 N 6.49 0.84 0.00 1.68 1.85 -1.26 -2.78 116.66 123.48 1y77 n ARG 774 Ca 0.14 0.32 0.00 0.00 -1.00 0.00 0.00 57.85 57.31 1y77 n ARG 774 Cb 0.45 -2.02 0.00 0.00 -1.05 0.00 0.00 32.46 29.84 1y77 n ARG 774 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1y77 n ILE 775 N -1.56 0.00 -2.74 8.89 2.08 0.40 -4.83 119.36 121.59 1y77 n ILE 775 Ca 0.13 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.22 1y77 n ILE 775 Cb 0.46 0.00 0.10 0.00 -0.75 0.00 0.00 39.64 39.45 1y77 n ILE 775 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1y77 n ALA 776 N 0.00 0.52 -2.69 -1.39 0.00 -1.26 -4.65 120.51 111.04 1y77 n ALA 776 Ca 0.00 -1.95 -0.43 0.00 0.00 0.00 0.00 53.44 51.06 1y77 n ALA 776 Cb 0.00 0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1y77 n ALA 776 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1y77 n PHE 777 N -2.62 4.39 -0.04 0.00 0.99 -1.26 -4.47 117.46 114.45 1y77 n PHE 777 Ca 0.16 -3.14 -0.16 0.00 -0.00 0.00 0.00 57.45 54.31 1y77 n PHE 777 Cb 0.58 -2.22 -0.07 0.00 -1.00 0.00 0.00 39.48 36.77 1y77 n PHE 777 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1y77 h GLY 778 N 9.71 0.75 -5.55 1.37 0.00 -1.80 -3.40 103.07 104.15 1y77 h GLY 778 Ca 0.37 -0.99 -0.59 0.00 0.00 0.00 0.00 47.33 46.12 1y77 h GLY 778 CO 1.40 0.89 0.61 -1.36 0.00 0.00 0.00 176.54 178.08 1y77 s PHE 779 N -3.86 3.30 -0.23 5.60 2.99 -1.19 -4.89 117.98 119.70 1y77 s PHE 779 Ca -0.12 1.24 -0.20 0.00 0.00 0.00 0.00 56.93 57.85 1y77 s PHE 779 Cb 0.08 -3.19 -0.09 0.00 0.00 0.00 0.00 43.02 39.82 1y77 s PHE 779 CO 0.86 -0.47 0.97 0.28 -0.00 0.00 0.00 175.22 176.87 1y77 n VAL 780 N 5.34 0.00 -3.91 -0.44 0.31 -1.26 -1.20 118.33 117.17 1y77 n VAL 780 Ca 0.08 0.00 -0.27 0.00 -0.01 0.00 0.00 64.34 64.15 1y77 n VAL 780 Cb 0.47 -0.23 -0.01 0.00 -0.91 0.00 0.00 33.84 33.16 1y77 n VAL 780 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1y77 n ASP 781 N 3.37 -1.14 0.00 4.52 8.00 -1.26 -4.88 116.55 125.16 1y77 n ASP 781 Ca 0.25 -1.01 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1y77 n ASP 781 Cb -0.02 -3.09 0.00 0.00 -0.02 0.00 0.00 41.12 37.99 1y77 n ASP 781 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1y77 n ARG 782 N -4.38 0.00 0.03 -1.24 1.85 -0.34 0.08 116.66 112.65 1y77 n ARG 782 Ca -0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.56 1y77 n ARG 782 Cb 0.67 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 32.07 1y77 n ARG 782 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1y77 h THR 783 N 0.38 0.00 -1.15 8.89 2.02 -1.79 -3.15 112.91 118.11 1y77 h THR 783 Ca 0.00 -0.17 -0.58 0.00 0.77 0.00 0.00 66.41 66.43 1y77 h THR 783 Cb 0.00 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.33 1y77 h THR 783 CO 0.00 0.00 -0.45 -0.76 0.37 0.00 0.00 175.52 174.68 1y77 s LEU 784 N -5.19 2.90 0.00 2.58 1.43 -1.26 -4.25 118.68 114.89 1y77 s LEU 784 Ca -0.01 -1.20 0.27 0.00 -1.03 0.00 0.00 54.13 52.16 1y77 s LEU 784 Cb 0.00 -1.29 1.57 0.00 0.03 0.00 0.00 46.19 46.50 1y77 s LEU 784 CO 0.04 -0.74 2.01 -0.81 0.23 0.00 0.00 176.35 177.09 1y77 n PRO 785 N -1.39 1.03 -0.35 1.29 -0.04 -1.26 -3.10 135.00 131.18 1y77 n PRO 785 Ca -0.04 -0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.42 1y77 n PRO 785 Cb 0.65 -1.42 0.17 0.00 -0.04 0.00 0.00 33.50 32.86 1y77 n PRO 785 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1y77 n HIS 786 N -0.87 0.82 -4.09 0.54 8.25 -1.26 -4.87 115.22 113.74 1y77 n HIS 786 Ca 0.20 -0.30 -0.14 0.00 -0.26 0.00 0.00 57.72 57.22 1y77 n HIS 786 Cb 0.10 -0.22 -0.12 0.00 1.12 0.00 0.00 29.99 30.87 1y77 n HIS 786 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1y77 s PHE 787 N -1.73 0.67 -0.03 4.41 2.99 -1.18 -5.13 117.98 117.98 1y77 s PHE 787 Ca 0.24 -0.41 -0.30 0.00 0.00 0.00 0.00 56.93 56.46 1y77 s PHE 787 Cb 0.17 -0.40 -0.03 0.00 0.00 0.00 0.00 43.02 42.76 1y77 s PHE 787 CO 0.09 -0.06 1.02 -1.12 -0.00 0.00 0.00 175.22 175.15 1y77 s SER 788 N -1.28 7.29 0.81 1.36 0.01 -1.26 -4.94 113.70 115.69 1y77 s SER 788 Ca -0.07 1.66 -0.15 0.00 1.31 0.00 0.00 55.95 58.71 1y77 s SER 788 Cb -0.08 -2.57 -0.13 0.00 0.21 0.00 0.00 66.02 63.45 1y77 s SER 788 CO 0.00 -0.35 -0.62 0.29 0.41 0.00 0.00 173.24 172.97 1y77 n LYS 789 N 4.29 0.00 -4.01 12.44 5.02 -1.26 -3.45 118.16 131.19 1y77 n LYS 789 Ca 0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.07 1y77 n LYS 789 Cb 0.50 -0.87 -0.01 0.00 -0.02 0.00 0.00 35.03 34.63 1y77 n LYS 789 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1y77 n ASP 790 N 2.93 -2.33 -4.30 4.39 9.92 0.11 -4.93 116.55 122.33 1y77 n ASP 790 Ca -0.00 -0.94 -0.46 0.00 -0.53 0.00 0.00 54.79 52.86 1y77 n ASP 790 Cb 0.48 -3.23 -0.04 0.00 -0.64 0.00 0.00 41.12 37.69 1y77 n ASP 790 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1y77 s ASP 791 N -3.79 6.38 0.26 -2.24 -1.08 -1.22 -4.90 116.67 110.07 1y77 s ASP 791 Ca 0.39 -2.26 0.25 0.00 -0.52 0.00 0.00 52.55 50.41 1y77 s ASP 791 Cb -0.20 -2.18 0.63 0.00 -1.46 0.00 0.00 42.92 39.71 1y77 s ASP 791 CO 0.88 -0.70 1.67 1.88 0.52 0.00 0.00 175.17 179.43 1y77 h TYR 792 N 8.27 0.00 -2.68 -5.34 -1.99 -1.93 -3.43 116.97 109.87 1y77 h TYR 792 Ca -0.10 0.00 -0.57 0.00 2.00 0.00 0.00 58.73 60.06 1y77 h TYR 792 Cb 1.06 0.00 0.19 0.00 2.00 0.00 0.00 36.73 39.99 1y77 h TYR 792 CO 0.86 0.00 -0.84 -1.13 -0.00 0.00 0.00 178.16 177.05 1y77 n SER 793 N -2.46 -2.67 -0.33 3.88 3.41 -1.26 -4.62 113.62 109.58 1y77 n SER 793 Ca 0.05 0.54 0.04 0.00 -0.26 0.00 0.00 58.87 59.24 1y77 n SER 793 Cb 0.46 -1.04 0.23 0.00 -0.26 0.00 0.00 64.21 63.60 1y77 n SER 793 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1y77 h PRO 794 N -0.38 1.02 -0.03 4.33 0.13 -1.97 -2.72 132.00 132.38 1y77 h PRO 794 Ca -0.44 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1y77 h PRO 794 Cb 1.37 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1y77 h PRO 794 CO 0.39 0.68 0.00 0.39 -0.23 0.00 0.00 178.00 179.23 1y77 n GLU 795 N -4.51 0.17 0.00 0.86 4.71 -1.26 -2.75 120.64 117.86 1y77 n GLU 795 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1y77 n GLU 795 Cb 0.23 -1.02 0.00 0.00 -1.01 0.00 0.00 31.44 29.64 1y77 n GLU 795 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1y77 n SER 796 N -0.33 0.19 0.00 1.62 2.88 -1.03 -4.78 113.62 112.17 1y77 n SER 796 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 1y77 n SER 796 Cb 0.01 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.64 1y77 n SER 796 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1y77 n LYS 797 N -2.59 0.16 0.00 -1.46 4.76 -1.12 -4.77 118.16 113.14 1y77 n LYS 797 Ca 0.00 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1y77 n LYS 797 Cb 0.19 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 1y77 n LYS 797 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1y77 n GLY 798 N -0.66 0.72 3.11 0.72 0.00 -1.17 -0.45 105.19 107.46 1y77 n GLY 798 Ca 0.04 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 1y77 n GLY 798 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y77 s PHE 799 N -1.24 2.70 -0.38 1.61 5.36 -1.11 0.21 117.98 125.12 1y77 s PHE 799 Ca 0.00 -1.57 -0.18 0.00 -0.96 0.00 0.00 56.93 54.22 1y77 s PHE 799 Cb 0.00 -1.87 0.01 0.00 -0.34 0.00 0.00 43.02 40.81 1y77 s PHE 799 CO 0.00 -0.77 0.49 0.08 -1.46 0.00 0.00 175.22 173.56 1y77 s VAL 800 N 1.26 5.03 -0.04 3.12 1.01 0.15 -4.76 120.40 126.18 1y77 s VAL 800 Ca 0.04 0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 1y77 s VAL 800 Cb -0.13 -4.00 -0.32 0.00 0.00 0.00 0.00 36.38 31.93 1y77 s VAL 800 CO -0.12 -0.32 0.80 -0.08 0.00 0.00 0.00 175.10 175.38 1y77 h GLU 801 N 8.60 0.38 -7.11 2.72 4.81 -1.98 -2.34 114.58 119.66 1y77 h GLU 801 Ca -0.27 -0.64 -0.41 0.00 -0.13 0.00 0.00 59.36 57.90 1y77 h GLU 801 Cb 1.12 0.24 0.21 0.00 0.63 0.00 0.00 28.75 30.95 1y77 h GLU 801 CO 0.79 1.31 -0.04 -0.80 -0.73 0.00 0.00 179.01 179.53 1y77 s ASN 802 N -7.23 0.08 0.31 1.04 0.01 -1.26 -4.23 114.94 103.66 1y77 s ASN 802 Ca -0.14 1.18 0.09 0.00 -0.71 0.00 0.00 52.86 53.28 1y77 s ASN 802 Cb 0.03 -1.78 -0.05 0.00 0.41 0.00 0.00 41.25 39.87 1y77 s ASN 802 CO 0.85 -4.71 0.03 -0.94 -1.51 0.00 0.00 177.10 170.83 1y77 s SER 803 N -2.85 4.43 0.26 -1.22 1.04 -1.25 -1.55 113.70 112.56 1y77 s SER 803 Ca 0.69 -0.80 0.16 0.00 0.48 0.00 0.00 55.95 56.47 1y77 s SER 803 Cb -0.19 -0.70 0.87 0.00 0.10 0.00 0.00 66.02 66.10 1y77 s SER 803 CO 0.61 -0.15 1.47 -1.22 0.98 0.00 0.00 173.24 174.94 1y77 n TYR 804 N -0.97 0.55 -0.00 5.02 4.02 -0.24 -0.66 117.16 124.88 1y77 n TYR 804 Ca -0.05 0.29 -0.17 0.00 -0.01 0.00 0.00 57.90 57.95 1y77 n TYR 804 Cb 0.61 -0.92 -0.14 0.00 -0.02 0.00 0.00 39.34 38.86 1y77 n TYR 804 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1y77 h LEU 805 N 0.00 0.27 -0.04 7.72 5.85 -1.64 -3.36 115.31 124.10 1y77 h LEU 805 Ca 0.00 -0.97 -0.02 0.00 0.84 0.00 0.00 57.88 57.73 1y77 h LEU 805 Cb 0.09 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1y77 h LEU 805 CO 0.00 1.23 -0.05 0.03 -0.34 0.00 0.00 178.44 179.30 1y77 h ARG 806 N -0.63 0.11 0.00 1.25 3.08 -1.33 -3.50 114.38 113.36 1y77 h ARG 806 Ca -0.08 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1y77 h ARG 806 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.43 1y77 h ARG 806 CO 0.09 0.60 0.00 0.41 -1.07 0.00 0.00 179.97 180.00 1y77 n GLY 807 N 0.31 2.05 3.31 0.04 0.00 0.16 -4.96 105.19 106.11 1y77 n GLY 807 Ca -0.08 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 1y77 n GLY 807 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1y77 n LEU 808 N 0.00 -2.09 -4.64 0.99 4.32 -1.26 -4.86 117.00 109.46 1y77 n LEU 808 Ca 0.00 -0.22 -0.25 0.00 -0.02 0.00 0.00 56.01 55.53 1y77 n LEU 808 Cb 0.00 -1.03 -0.08 0.00 -1.62 0.00 0.00 43.42 40.69 1y77 n LEU 808 CO 0.00 -3.26 -0.34 0.42 -1.22 0.00 0.00 177.39 173.00 1y77 s THR 809 N -2.26 3.51 0.16 -5.08 -4.23 -1.26 -4.81 115.64 101.67 1y77 s THR 809 Ca 0.59 -1.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.21 1y77 s THR 809 Cb -0.16 -2.82 0.08 0.00 1.34 0.00 0.00 72.50 70.94 1y77 s THR 809 CO 0.64 -0.25 1.24 -2.65 -0.54 0.00 0.00 174.62 173.06 1y77 n PRO 810 N -0.50 -0.26 0.32 3.99 -0.02 -1.26 0.25 135.00 137.52 1y77 n PRO 810 Ca -0.08 1.23 -0.17 0.00 -2.02 0.00 0.00 63.50 62.45 1y77 n PRO 810 Cb 0.57 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 1y77 n PRO 810 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1y77 h GLN 811 N 0.00 -0.77 -0.07 -0.52 7.50 -1.99 0.17 115.11 119.42 1y77 h GLN 811 Ca 0.21 0.05 0.04 0.00 0.50 0.00 0.00 58.65 59.45 1y77 h GLN 811 Cb 0.41 0.17 -0.06 0.00 0.05 0.00 0.00 27.48 28.06 1y77 h GLN 811 CO -0.78 -0.51 -0.42 0.93 -1.50 0.00 0.00 178.83 176.55 1y77 h GLU 812 N -0.80 -0.51 -0.78 1.46 5.08 -0.83 -1.37 114.58 116.83 1y77 h GLU 812 Ca -0.07 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.44 1y77 h GLU 812 Cb 0.63 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 29.86 1y77 h GLU 812 CO 0.11 -0.34 -0.39 0.35 -1.00 0.00 0.00 179.01 177.74 1y77 h PHE 813 N -0.53 -1.10 0.20 4.33 3.57 0.37 -0.61 116.94 123.16 1y77 h PHE 813 Ca 0.06 0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1y77 h PHE 813 Cb 0.64 0.60 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1y77 h PHE 813 CO -0.46 -0.40 -0.10 0.35 -2.23 0.00 0.00 178.31 175.47 1y77 h PHE 814 N -0.10 -0.27 -0.11 0.41 3.57 -0.33 -2.09 116.94 118.02 1y77 h PHE 814 Ca 0.27 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.81 1y77 h PHE 814 Cb 0.57 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.34 1y77 h PHE 814 CO -0.77 -0.17 -0.31 0.74 -2.23 0.00 0.00 178.31 175.57 1y77 h PHE 815 N -0.28 -0.87 -1.07 0.41 0.05 -0.45 0.15 116.94 114.88 1y77 h PHE 815 Ca -0.02 0.04 0.29 0.00 3.82 0.00 0.00 57.97 62.10 1y77 h PHE 815 Cb 0.22 0.40 -0.11 0.00 2.00 0.00 0.00 35.95 38.46 1y77 h PHE 815 CO -0.07 -0.39 0.68 1.25 -0.18 0.00 0.00 178.31 179.59 1y77 h HIS 816 N -0.40 0.71 0.00 -0.55 2.76 -0.98 -0.29 115.15 116.39 1y77 h HIS 816 Ca 0.09 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1y77 h HIS 816 Cb 0.54 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 29.30 1y77 h HIS 816 CO -0.39 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.24 1y77 n ALA 817 N -2.44 0.00 -0.07 5.26 0.00 0.42 0.31 120.51 123.98 1y77 n ALA 817 Ca 0.28 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.76 1y77 n ALA 817 Cb 0.95 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.49 1y77 n ALA 817 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1y77 n MET 818 N -0.35 -0.02 -0.01 0.00 2.00 -0.57 0.17 117.12 118.35 1y77 n MET 818 Ca 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 57.70 57.89 1y77 n MET 818 Cb 0.00 -0.52 -0.10 0.00 0.00 0.00 0.00 33.22 32.60 1y77 n MET 818 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1y77 h GLY 819 N 0.00 -0.08 1.01 3.03 0.00 -0.99 -3.05 103.07 102.99 1y77 h GLY 819 Ca 0.15 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 1y77 h GLY 819 CO -0.19 -0.03 0.44 -1.33 0.00 0.00 0.00 176.54 175.44 1y77 h GLY 820 N -0.78 1.07 0.09 4.60 0.00 0.64 -1.44 103.07 107.25 1y77 h GLY 820 Ca -0.01 -0.45 0.26 0.00 0.00 0.00 0.00 47.33 47.13 1y77 h GLY 820 CO 0.01 0.43 0.67 -0.09 0.00 0.00 0.00 176.54 177.56 1y77 h ARG 821 N 1.01 0.15 -0.65 4.80 9.65 -0.10 0.18 114.38 129.41 1y77 h ARG 821 Ca 0.26 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 59.13 1y77 h ARG 821 Cb -0.03 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 28.48 1y77 h ARG 821 CO -0.05 0.10 0.38 1.49 2.80 0.00 0.00 179.97 184.69 1y77 h GLU 822 N 0.16 0.90 0.16 0.20 4.81 -1.14 -2.84 114.58 116.83 1y77 h GLU 822 Ca 0.48 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.61 1y77 h GLU 822 Cb 1.63 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 1y77 h GLU 822 CO -0.09 0.66 -0.16 0.78 -0.73 0.00 0.00 179.01 179.47 1y77 h GLY 823 N 0.89 -0.87 -0.94 1.92 0.00 -0.70 -1.29 103.07 102.07 1y77 h GLY 823 Ca 0.23 0.39 0.27 0.00 0.00 0.00 0.00 47.33 48.22 1y77 h GLY 823 CO -0.04 -0.30 1.14 1.04 0.00 0.00 0.00 176.54 178.38 1y77 n LEU 824 N -3.29 0.00 0.00 3.11 4.77 -1.15 -0.80 117.00 119.64 1y77 n LEU 824 Ca -0.04 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1y77 n LEU 824 Cb 0.15 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1y77 n LEU 824 CO 0.08 -0.70 0.00 -0.38 -1.33 0.00 0.00 177.39 175.07 1y77 n ILE 825 N -3.08 0.00 -0.36 -0.08 5.41 -0.54 -3.56 119.36 117.15 1y77 n ILE 825 Ca 0.21 0.01 0.27 0.00 1.00 0.00 0.00 62.75 64.23 1y77 n ILE 825 Cb 1.42 -0.02 0.53 0.00 -0.71 0.00 0.00 39.64 40.86 1y77 n ILE 825 CO 0.00 0.00 0.00 -2.24 0.00 0.00 0.00 176.55 174.31 1y77 h ASP 826 N 0.00 0.43 -0.98 4.38 3.04 -0.79 1.13 116.42 123.63 1y77 h ASP 826 Ca 0.00 0.14 0.22 0.00 -3.24 0.00 0.00 57.03 54.15 1y77 h ASP 826 Cb 0.00 0.08 -0.12 0.00 -1.04 0.00 0.00 39.33 38.26 1y77 h ASP 826 CO 0.00 -0.06 0.56 0.74 -2.04 0.00 0.00 179.24 178.45 1y77 h THR 827 N 0.30 0.59 -0.22 1.15 2.02 -1.14 1.85 112.91 117.47 1y77 h THR 827 Ca 0.70 -0.21 -0.04 0.00 0.77 0.00 0.00 66.41 67.64 1y77 h THR 827 Cb 1.83 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 1y77 h THR 827 CO -0.44 0.11 0.05 0.00 0.37 0.00 0.00 175.52 175.61 1y77 n ALA 828 N -2.35 3.07 0.00 6.16 0.00 0.39 -2.52 120.51 125.26 1y77 n ALA 828 Ca 0.25 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1y77 n ALA 828 Cb 0.66 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1y77 n ALA 828 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y77 n VAL 829 N 0.15 0.00 0.74 0.00 0.31 0.49 -4.45 118.33 115.57 1y77 n VAL 829 Ca 0.11 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.47 1y77 n VAL 829 Cb 0.63 -0.90 0.17 0.00 -0.91 0.00 0.00 33.84 32.83 1y77 n VAL 829 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1y77 n LYS 830 N -2.65 0.37 -0.07 5.55 4.01 0.51 -0.87 118.16 125.01 1y77 n LYS 830 Ca 0.00 0.00 -0.10 0.00 -0.51 0.00 0.00 58.31 57.70 1y77 n LYS 830 Cb 0.26 -1.25 -0.07 0.00 -0.51 0.00 0.00 35.03 33.46 1y77 n LYS 830 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 1y77 n THR 831 N -0.75 0.85 -0.00 -0.18 5.66 -1.05 -3.97 114.28 114.83 1y77 n THR 831 Ca 0.04 -0.35 -0.17 0.00 -3.05 0.00 0.00 64.05 60.52 1y77 n THR 831 Cb 0.02 -0.98 -0.13 0.00 -1.55 0.00 0.00 70.33 67.70 1y77 n THR 831 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1y77 h ALA 832 N 0.09 -0.01 -0.17 1.79 0.00 -1.43 -3.05 119.26 116.48 1y77 h ALA 832 Ca -0.33 -0.57 -0.13 0.00 0.00 0.00 0.00 54.91 53.87 1y77 h ALA 832 Cb 1.55 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1y77 h ALA 832 CO -0.04 0.20 -0.47 1.49 0.00 0.00 0.00 179.25 180.43 1y77 h GLU 833 N -0.52 0.42 -0.16 0.00 4.81 -1.28 -2.90 114.58 114.96 1y77 h GLU 833 Ca -0.07 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 58.93 1y77 h GLU 833 Cb 1.27 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.66 1y77 h GLU 833 CO 0.08 0.81 0.08 1.15 -0.73 0.00 0.00 179.01 180.40 1y77 h THR 834 N 0.34 1.01 -0.95 0.32 2.02 -1.69 -2.59 112.91 111.37 1y77 h THR 834 Ca 0.02 -0.06 0.25 0.00 0.77 0.00 0.00 66.41 67.39 1y77 h THR 834 Cb 0.96 0.81 -0.13 0.00 -1.74 0.00 0.00 68.15 68.05 1y77 h THR 834 CO 0.08 0.03 0.47 1.23 0.37 0.00 0.00 175.52 177.71 1y77 h GLY 835 N 0.18 1.73 0.64 2.16 0.00 -1.39 -0.59 103.07 105.80 1y77 h GLY 835 Ca 0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1y77 h GLY 835 CO -0.04 -0.31 -0.30 -1.82 0.00 0.00 0.00 176.54 174.07 1y77 h TYR 836 N 0.42 -0.79 -0.80 5.60 3.20 -1.45 -2.17 116.97 120.99 1y77 h TYR 836 Ca 0.62 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.58 1y77 h TYR 836 Cb 1.23 0.26 -0.13 0.00 1.54 0.00 0.00 36.73 39.64 1y77 h TYR 836 CO -0.09 -0.49 -0.44 0.82 -1.64 0.00 0.00 178.16 176.33 1y77 h ILE 837 N -1.22 0.05 -0.75 1.81 2.04 -1.13 0.40 117.51 118.71 1y77 h ILE 837 Ca -0.09 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.93 1y77 h ILE 837 Cb 0.66 0.05 -0.11 0.00 -0.74 0.00 0.00 36.82 36.68 1y77 h ILE 837 CO 0.14 0.00 0.22 -0.61 0.00 0.00 0.00 178.15 177.90 1y77 h GLN 838 N -0.11 0.31 0.18 2.37 -0.00 -1.16 -1.30 115.11 115.40 1y77 h GLN 838 Ca 0.24 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.86 1y77 h GLN 838 Cb 0.55 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 27.96 1y77 h GLN 838 CO -0.83 0.20 -0.09 -0.09 0.00 0.00 0.00 178.83 178.02 1y77 h ARG 839 N 0.32 -0.23 -0.01 1.69 2.43 0.38 -2.89 114.38 116.07 1y77 h ARG 839 Ca 0.42 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 1y77 h ARG 839 Cb 0.71 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1y77 h ARG 839 CO -0.48 0.14 -0.04 0.00 -1.51 0.00 0.00 179.97 178.08 1y77 h ARG 840 N -0.66 -0.04 -0.35 0.20 3.08 -0.69 0.25 114.38 116.18 1y77 h ARG 840 Ca -0.02 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.10 1y77 h ARG 840 Cb 0.48 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.47 1y77 h ARG 840 CO 0.04 -0.02 -0.08 1.28 -1.07 0.00 0.00 179.97 180.12 1y77 n LEU 841 N -2.79 -0.12 0.35 3.04 4.77 -0.52 0.34 117.00 122.07 1y77 n LEU 841 Ca -0.00 0.60 -0.14 0.00 -0.03 0.00 0.00 56.01 56.43 1y77 n LEU 841 Cb 0.03 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.87 1y77 n LEU 841 CO 0.01 -0.57 0.37 0.58 -1.33 0.00 0.00 177.39 176.45 1y77 h VAL 842 N 0.00 0.00 -0.75 4.08 2.07 -0.80 -2.90 116.25 117.95 1y77 h VAL 842 Ca 0.17 -0.30 0.22 0.00 0.82 0.00 0.00 66.70 67.61 1y77 h VAL 842 Cb 0.27 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 1y77 h VAL 842 CO -0.35 0.00 0.65 0.11 0.02 0.00 0.00 177.57 178.00 1y77 h LYS 843 N -1.22 0.00 0.00 1.57 1.79 0.15 0.16 116.57 119.02 1y77 h LYS 843 Ca -0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1y77 h LYS 843 Cb 0.71 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 1y77 h LYS 843 CO 0.15 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.52 1y77 h ALA 844 N 1.40 1.00 0.00 3.86 0.00 -0.72 -3.34 119.26 121.46 1y77 h ALA 844 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1y77 h ALA 844 Cb 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 1y77 h ALA 844 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1y77 n LEU 845 N -2.86 0.78 0.00 0.00 4.77 0.44 -4.91 117.00 115.22 1y77 n LEU 845 Ca 0.03 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1y77 n LEU 845 Cb 0.40 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1y77 n LEU 845 CO 0.29 0.19 0.19 -0.62 -1.33 0.00 0.00 177.39 176.11 1y77 n GLU 846 N -0.13 0.00 0.23 3.23 1.02 -0.58 -1.45 120.64 122.96 1y77 n GLU 846 Ca 0.00 0.37 0.03 0.00 -0.02 0.00 0.00 57.16 57.54 1y77 n GLU 846 Cb 0.25 -0.75 0.05 0.00 -0.02 0.00 0.00 31.44 30.96 1y77 n GLU 846 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1y77 n ASP 847 N -0.86 0.00 -4.71 1.62 5.68 -1.26 -4.10 116.55 112.92 1y77 n ASP 847 Ca 0.00 0.47 -0.42 0.00 -0.50 0.00 0.00 54.79 54.34 1y77 n ASP 847 Cb 0.00 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 39.92 1y77 n ASP 847 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1y77 s ILE 848 N -3.67 4.60 0.28 2.12 1.01 -0.53 -3.90 121.20 121.11 1y77 s ILE 848 Ca -0.00 1.87 -0.16 0.00 0.00 0.00 0.00 60.65 62.36 1y77 s ILE 848 Cb 0.02 -4.20 0.01 0.00 0.01 0.00 0.00 42.46 38.30 1y77 s ILE 848 CO 0.05 0.15 0.60 0.00 0.00 0.00 0.00 174.94 175.74 1y77 s MET 849 N 1.01 1.72 -0.20 2.79 0.23 -0.88 -0.75 119.30 123.21 1y77 s MET 849 Ca 0.54 -1.19 -0.20 0.00 -1.03 0.00 0.00 55.69 53.81 1y77 s MET 849 Cb -0.24 0.54 -0.03 0.00 -1.53 0.00 0.00 34.83 33.57 1y77 s MET 849 CO 0.28 -0.75 0.58 0.08 -2.03 0.00 0.00 175.02 173.18 1y77 s VAL 850 N -3.79 5.05 0.30 5.16 1.01 -0.93 -2.58 120.40 124.62 1y77 s VAL 850 Ca 0.18 1.08 -0.05 0.00 0.00 0.00 0.00 61.98 63.20 1y77 s VAL 850 Cb -0.03 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1y77 s VAL 850 CO 0.09 0.13 0.57 -1.00 0.00 0.00 0.00 175.10 174.89 1y77 s HIS 851 N 1.83 3.48 0.53 5.22 3.76 -0.50 -2.68 115.29 126.94 1y77 s HIS 851 Ca 0.27 0.63 0.44 0.00 -0.15 0.00 0.00 55.06 56.25 1y77 s HIS 851 Cb -0.16 -2.10 1.65 0.00 1.11 0.00 0.00 32.58 33.08 1y77 s HIS 851 CO 0.10 0.15 1.62 1.88 -0.85 0.00 0.00 174.74 177.64 1y77 h TYR 852 N 1.55 0.12 0.00 1.40 0.99 -1.88 1.31 116.97 120.46 1y77 h TYR 852 Ca -0.48 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.26 1y77 h TYR 852 Cb 1.19 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 38.89 1y77 h TYR 852 CO 0.57 -0.05 0.00 -0.40 -0.00 0.00 0.00 178.16 178.28 1y77 n ASP 853 N -4.15 0.00 -0.07 3.88 5.68 -1.26 -4.86 116.55 115.77 1y77 n ASP 853 Ca 0.40 0.13 0.00 0.00 -0.50 0.00 0.00 54.79 54.82 1y77 n ASP 853 Cb 1.77 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 41.40 1y77 n ASP 853 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1y77 n ASN 854 N -1.35 -1.11 -4.74 -1.12 3.02 0.45 -4.97 115.26 105.44 1y77 n ASN 854 Ca 0.09 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.41 1y77 n ASN 854 Cb 0.20 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.83 1y77 n ASN 854 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1y77 s THR 855 N -2.14 3.41 -0.33 3.41 -1.32 -1.21 -3.82 115.64 113.64 1y77 s THR 855 Ca 0.00 -1.67 -0.02 0.00 -1.21 0.00 0.00 61.69 58.79 1y77 s THR 855 Cb 0.00 -3.03 0.07 0.00 -1.51 0.00 0.00 72.50 68.02 1y77 s THR 855 CO 0.00 -0.26 0.06 -0.89 -2.21 0.00 0.00 174.62 171.32 1y77 s THR 856 N -2.34 3.07 0.32 5.08 2.01 0.19 -1.41 115.64 122.57 1y77 s THR 856 Ca 0.36 -1.57 0.04 0.00 0.31 0.00 0.00 61.69 60.83 1y77 s THR 856 Cb -0.05 -2.87 -0.06 0.00 0.01 0.00 0.00 72.50 69.53 1y77 s THR 856 CO 0.23 -0.27 0.04 -0.13 -0.69 0.00 0.00 174.62 173.80 1y77 s ARG 857 N 1.22 1.65 0.00 4.92 0.52 -1.07 0.23 118.95 126.42 1y77 s ARG 857 Ca -0.01 -1.91 0.00 0.00 -0.52 0.00 0.00 55.73 53.29 1y77 s ARG 857 Cb -0.20 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.32 1y77 s ARG 857 CO -0.02 -0.15 0.00 0.27 0.02 0.00 0.00 175.30 175.42 1y77 n ASN 858 N -0.69 0.01 0.07 0.23 2.04 -1.19 -2.06 115.26 113.67 1y77 n ASN 858 Ca -0.03 0.00 0.13 0.00 -0.44 0.00 0.00 54.58 54.24 1y77 n ASN 858 Cb 0.66 0.00 0.48 0.00 -2.53 0.00 0.00 39.78 38.39 1y77 n ASN 858 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 1y77 n SER 859 N 0.00 0.52 -0.08 0.53 3.41 -1.25 -3.85 113.62 112.90 1y77 n SER 859 Ca 0.00 0.56 -0.13 0.00 -0.26 0.00 0.00 58.87 59.04 1y77 n SER 859 Cb 0.00 -0.69 -0.07 0.00 -0.26 0.00 0.00 64.21 63.18 1y77 n SER 859 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1y77 h LEU 860 N 0.00 0.00 0.00 1.04 3.38 -1.94 -3.45 115.31 114.33 1y77 h LEU 860 Ca 0.00 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1y77 h LEU 860 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1y77 h LEU 860 CO 0.00 1.07 0.00 0.61 0.09 0.00 0.00 178.44 180.21 1y77 n GLY 861 N 1.56 -0.07 3.64 0.83 0.00 -1.25 -5.10 105.19 104.79 1y77 n GLY 861 Ca -0.17 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.38 1y77 n GLY 861 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y77 n ASN 862 N 0.00 3.36 -4.76 1.61 4.13 -1.26 -4.76 115.26 113.58 1y77 n ASN 862 Ca 0.00 0.77 -0.38 0.00 1.68 0.00 0.00 54.58 56.65 1y77 n ASN 862 Cb 0.00 -1.41 0.02 0.00 -1.54 0.00 0.00 39.78 36.85 1y77 n ASN 862 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1y77 s VAL 863 N 5.21 2.56 0.00 2.41 1.01 -1.26 -3.15 120.40 127.18 1y77 s VAL 863 Ca 0.96 0.43 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1y77 s VAL 863 Cb -0.62 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 32.54 1y77 s VAL 863 CO 0.48 0.00 0.00 -0.38 0.00 0.00 0.00 175.10 175.20 1y77 n ILE 864 N -0.68 0.00 -4.06 2.22 5.41 0.13 -4.96 119.36 117.43 1y77 n ILE 864 Ca 0.08 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.67 1y77 n ILE 864 Cb 0.46 -0.46 -0.15 0.00 -0.71 0.00 0.00 39.64 38.78 1y77 n ILE 864 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1y77 s GLN 865 N -1.77 0.38 0.00 0.38 -0.21 -1.02 -4.89 119.66 112.53 1y77 s GLN 865 Ca 0.00 -0.08 0.29 0.00 0.02 0.00 0.00 55.36 55.60 1y77 s GLN 865 Cb 0.00 -0.43 1.32 0.00 1.00 0.00 0.00 33.01 34.91 1y77 s GLN 865 CO 0.00 0.00 1.92 1.19 -2.12 0.00 0.00 175.29 176.29 1y77 n PHE 866 N 3.45 0.00 -3.17 0.91 3.01 -1.26 0.57 117.46 120.97 1y77 n PHE 866 Ca -0.19 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.31 1y77 n PHE 866 Cb 0.55 -0.22 -0.01 0.00 -0.01 0.00 0.00 39.48 39.79 1y77 n PHE 866 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1y77 s ILE 867 N -2.52 -0.99 -0.36 4.37 1.01 -1.25 -4.22 121.20 117.25 1y77 s ILE 867 Ca 0.28 -0.00 -0.44 0.00 0.00 0.00 0.00 60.65 60.49 1y77 s ILE 867 Cb 0.20 -0.99 -0.19 0.00 0.01 0.00 0.00 42.46 41.49 1y77 s ILE 867 CO 0.47 -0.00 1.53 0.00 0.00 0.00 0.00 174.94 176.94 1y77 n TYR 868 N 5.43 1.61 -1.69 3.97 9.36 -1.26 0.11 117.16 134.69 1y77 n TYR 868 Ca -0.01 1.02 -0.13 0.00 3.32 0.00 0.00 57.90 62.10 1y77 n TYR 868 Cb 0.51 -2.25 -0.04 0.00 -0.63 0.00 0.00 39.34 36.94 1y77 n TYR 868 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1y77 n GLY 869 N 3.56 0.81 2.29 2.98 0.00 -1.26 -0.15 105.19 113.42 1y77 n GLY 869 Ca 0.28 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.74 1y77 n GLY 869 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y77 n GLU 870 N -2.48 -1.52 0.00 1.61 1.02 0.12 -4.50 120.64 114.88 1y77 n GLU 870 Ca -0.14 0.91 0.00 0.00 -0.02 0.00 0.00 57.16 57.91 1y77 n GLU 870 Cb 0.49 -5.30 0.00 0.00 -0.02 0.00 0.00 31.44 26.61 1y77 n GLU 870 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1y77 n ASP 871 N -1.12 0.00 -0.71 1.62 5.75 -1.13 -4.81 116.55 116.14 1y77 n ASP 871 Ca -0.17 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.52 1y77 n ASP 871 Cb 0.56 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.61 1y77 n ASP 871 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1y77 n GLY 872 N 0.00 1.06 3.86 6.12 0.00 0.78 -4.93 105.19 112.09 1y77 n GLY 872 Ca 0.00 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 1y77 n GLY 872 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1y77 s MET 873 N -2.59 3.40 -0.46 1.61 1.75 -1.26 -0.61 119.30 121.15 1y77 s MET 873 Ca 0.00 -0.16 -0.29 0.00 -1.25 0.00 0.00 55.69 53.99 1y77 s MET 873 Cb 0.00 -3.15 0.03 0.00 2.84 0.00 0.00 34.83 34.55 1y77 s MET 873 CO 0.00 0.77 1.13 0.34 -0.65 0.00 0.00 175.02 176.61 1y77 s ASP 874 N -1.05 6.67 0.14 1.11 2.15 0.35 -4.73 116.67 121.31 1y77 s ASP 874 Ca 0.15 0.54 0.08 0.00 0.43 0.00 0.00 52.55 53.75 1y77 s ASP 874 Cb -0.12 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.46 1y77 s ASP 874 CO 0.04 -1.20 0.60 0.00 -0.17 0.00 0.00 175.17 174.44 1y77 n ALA 875 N 7.71 0.38 -0.35 3.66 0.00 -1.26 0.06 120.51 130.72 1y77 n ALA 875 Ca 0.12 0.39 0.13 0.00 0.00 0.00 0.00 53.44 54.08 1y77 n ALA 875 Cb 0.49 -0.38 0.34 0.00 0.00 0.00 0.00 19.45 19.89 1y77 n ALA 875 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 h ALA 876 N 0.76 1.72 -1.59 0.00 0.00 -1.86 -3.16 119.26 115.12 1y77 h ALA 876 Ca 0.32 0.07 -0.78 0.00 0.00 0.00 0.00 54.91 54.52 1y77 h ALA 876 Cb 0.84 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.33 1y77 h ALA 876 CO -0.30 -0.08 1.27 0.72 0.00 0.00 0.00 179.25 180.86 1y77 n HIS 877 N -4.74 3.14 -3.62 0.00 8.25 0.11 -4.80 115.22 113.56 1y77 n HIS 877 Ca 0.23 -2.89 -0.15 0.00 -0.26 0.00 0.00 57.72 54.65 1y77 n HIS 877 Cb 0.58 -1.66 -0.07 0.00 1.12 0.00 0.00 29.99 29.96 1y77 n HIS 877 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1y77 s ILE 878 N -0.99 0.00 0.08 1.59 1.01 -1.19 -4.19 121.20 117.51 1y77 s ILE 878 Ca 0.35 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.89 1y77 s ILE 878 Cb 0.04 -0.91 -0.00 0.00 0.01 0.00 0.00 42.46 41.59 1y77 s ILE 878 CO 0.04 -0.02 0.17 -1.61 0.00 0.00 0.00 174.94 173.52 1y77 s GLU 879 N -0.29 0.81 -0.26 2.79 2.02 -0.81 -4.70 118.70 118.26 1y77 s GLU 879 Ca -0.05 -0.95 -0.29 0.00 0.02 0.00 0.00 54.97 53.71 1y77 s GLU 879 Cb -0.03 0.33 -0.00 0.00 0.10 0.00 0.00 34.13 34.52 1y77 s GLU 879 CO 0.04 -0.25 1.33 0.15 0.02 0.00 0.00 175.26 176.55 1y77 s LYS 880 N -3.74 3.97 0.49 1.61 1.02 -1.26 -1.73 119.74 120.10 1y77 s LYS 880 Ca 0.04 1.37 0.04 0.00 0.02 0.00 0.00 55.97 57.44 1y77 s LYS 880 Cb 0.04 -3.87 -0.02 0.00 -0.52 0.00 0.00 37.83 33.46 1y77 s LYS 880 CO -0.10 -1.05 0.11 -0.65 -0.92 0.00 0.00 175.35 172.73 1y77 s GLN 881 N 4.08 2.18 -0.06 1.68 -0.21 -0.60 -4.90 119.66 121.84 1y77 s GLN 881 Ca 0.57 -2.20 0.05 0.00 0.02 0.00 0.00 55.36 53.80 1y77 s GLN 881 Cb -0.19 -1.73 -0.01 0.00 1.00 0.00 0.00 33.01 32.09 1y77 s GLN 881 CO 0.22 -0.33 -0.22 -1.54 -2.12 0.00 0.00 175.29 171.30 1y77 s SER 882 N -3.94 2.70 -1.19 5.90 1.04 -1.26 -1.78 113.70 115.16 1y77 s SER 882 Ca 0.21 -0.45 -0.12 0.00 0.48 0.00 0.00 55.95 56.07 1y77 s SER 882 Cb 0.02 -0.80 0.20 0.00 0.10 0.00 0.00 66.02 65.55 1y77 s SER 882 CO 0.12 0.20 1.39 0.18 0.98 0.00 0.00 173.24 176.10 1y77 n LEU 883 N 3.09 5.45 -0.32 2.42 4.77 -0.79 -4.86 117.00 126.76 1y77 n LEU 883 Ca -0.18 -4.65 0.21 0.00 -0.03 0.00 0.00 56.01 51.36 1y77 n LEU 883 Cb 0.52 -1.56 0.41 0.00 -2.33 0.00 0.00 43.42 40.46 1y77 n LEU 883 CO 0.25 0.97 1.01 0.44 -1.33 0.00 0.00 177.39 178.73 1y77 h ASP 884 N 6.84 0.19 -1.26 -1.43 3.32 -1.92 -0.25 116.42 121.91 1y77 h ASP 884 Ca 0.28 0.22 0.36 0.00 0.02 0.00 0.00 57.03 57.91 1y77 h ASP 884 Cb 0.84 0.25 -0.08 0.00 0.22 0.00 0.00 39.33 40.56 1y77 h ASP 884 CO 1.22 -0.22 0.87 0.74 -1.72 0.00 0.00 179.24 180.12 1y77 h THR 885 N 0.19 0.35 0.12 0.35 2.02 -1.93 -3.17 112.91 110.84 1y77 h THR 885 Ca 0.68 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.81 1y77 h THR 885 Cb 1.53 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1y77 h THR 885 CO -0.69 0.02 -0.06 0.40 0.37 0.00 0.00 175.52 175.57 1y77 h ILE 886 N 0.12 0.00 -4.00 3.11 2.04 -1.40 -3.45 117.51 113.93 1y77 h ILE 886 Ca 0.65 -0.29 -0.48 0.00 1.00 0.00 0.00 64.86 65.74 1y77 h ILE 886 Cb 2.28 0.00 0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1y77 h ILE 886 CO -0.15 0.00 0.40 -0.83 0.00 0.00 0.00 178.15 177.57 1y77 s GLY 887 N -2.29 2.66 0.00 5.37 0.00 -1.20 -4.95 107.32 106.92 1y77 s GLY 887 Ca -0.02 0.67 0.00 0.00 0.00 0.00 0.00 44.72 45.37 1y77 s GLY 887 CO 0.07 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.85 1y77 n GLY 888 N 0.14 3.67 3.62 0.20 0.00 -1.26 -4.95 105.19 106.62 1y77 n GLY 888 Ca 0.06 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.25 1y77 n GLY 888 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y77 n SER 889 N 0.00 0.67 0.16 1.61 3.41 -1.26 -4.48 113.62 113.73 1y77 n SER 889 Ca 0.00 0.73 0.18 0.00 -0.26 0.00 0.00 58.87 59.53 1y77 n SER 889 Cb 0.00 -1.41 0.79 0.00 -0.26 0.00 0.00 64.21 63.34 1y77 n SER 889 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1y77 h ASP 890 N 0.11 0.00 0.13 4.04 3.32 -1.74 -2.69 116.42 119.59 1y77 h ASP 890 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1y77 h ASP 890 Cb 1.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.90 1y77 h ASP 890 CO 0.49 0.00 -0.06 0.00 -1.72 0.00 0.00 179.24 177.95 1y77 h ALA 891 N 1.65 -0.84 -0.92 3.45 0.00 -1.88 -3.24 119.26 117.48 1y77 h ALA 891 Ca 0.13 -0.04 0.27 0.00 0.00 0.00 0.00 54.91 55.27 1y77 h ALA 891 Cb 0.73 0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.44 1y77 h ALA 891 CO -0.00 -0.83 0.32 0.00 0.00 0.00 0.00 179.25 178.74 1y77 h ALA 892 N -1.89 1.48 -0.54 0.00 0.00 -1.84 -0.81 119.26 115.67 1y77 h ALA 892 Ca -0.02 0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.21 1y77 h ALA 892 Cb 0.13 0.29 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 1y77 h ALA 892 CO 0.03 -0.52 -0.35 0.35 0.00 0.00 0.00 179.25 178.77 1y77 h PHE 893 N 0.22 -0.97 0.69 0.00 3.57 -1.55 -1.53 116.94 117.37 1y77 h PHE 893 Ca 0.61 0.07 -0.03 0.00 3.53 0.00 0.00 57.97 62.16 1y77 h PHE 893 Cb 1.31 0.50 -0.01 0.00 2.79 0.00 0.00 35.95 40.54 1y77 h PHE 893 CO -0.20 -0.39 -0.49 1.49 -2.23 0.00 0.00 178.31 176.48 1y77 h GLU 894 N -0.20 -1.09 0.00 1.11 4.81 -1.17 0.81 114.58 118.86 1y77 h GLU 894 Ca 0.21 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1y77 h GLU 894 Cb 0.55 0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1y77 h GLU 894 CO -0.64 -0.73 0.38 -0.22 -0.73 0.00 0.00 179.01 177.07 1y77 h LYS 895 N -1.13 0.00 0.00 1.92 3.64 -1.34 0.88 116.57 120.54 1y77 h LYS 895 Ca -0.09 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.99 1y77 h LYS 895 Cb 0.93 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.70 1y77 h LYS 895 CO 0.05 0.00 -2.04 -2.13 -2.27 0.00 0.00 179.45 173.06 1y77 n ARG 896 N -2.25 0.41 -0.00 1.90 0.63 -0.62 -4.77 116.66 111.96 1y77 n ARG 896 Ca -0.01 0.15 0.10 0.00 -0.92 0.00 0.00 57.85 57.17 1y77 n ARG 896 Cb 0.40 -1.23 -0.12 0.00 0.45 0.00 0.00 32.46 31.96 1y77 n ARG 896 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1y77 n TYR 897 N -3.57 0.00 -2.91 -0.14 4.02 0.22 -4.28 117.16 110.50 1y77 n TYR 897 Ca -0.35 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.13 1y77 n TYR 897 Cb 0.79 -0.10 -0.04 0.00 -0.02 0.00 0.00 39.34 39.97 1y77 n TYR 897 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 1y77 s ARG 898 N -3.00 4.51 -0.03 -0.72 6.06 0.28 -4.73 118.95 121.32 1y77 s ARG 898 Ca 0.05 1.13 0.01 0.00 -2.50 0.00 0.00 55.73 54.41 1y77 s ARG 898 Cb 0.15 -3.41 0.02 0.00 0.06 0.00 0.00 34.95 31.77 1y77 s ARG 898 CO 0.83 0.14 -0.03 0.08 -2.50 0.00 0.00 175.30 173.82 1y77 s VAL 899 N 0.43 0.40 -0.18 7.11 1.01 -1.26 -4.88 120.40 123.02 1y77 s VAL 899 Ca 0.42 -0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1y77 s VAL 899 Cb -0.20 -0.43 0.06 0.00 0.00 0.00 0.00 36.38 35.81 1y77 s VAL 899 CO 0.23 0.18 0.03 -0.62 0.00 0.00 0.00 175.10 174.92 1y77 s ASP 900 N 0.75 2.76 0.00 3.32 -1.08 0.15 -4.78 116.67 117.80 1y77 s ASP 900 Ca -0.09 -0.74 0.31 0.00 -0.52 0.00 0.00 52.55 51.51 1y77 s ASP 900 Cb -0.12 -0.58 1.86 0.00 -1.46 0.00 0.00 42.92 42.62 1y77 s ASP 900 CO -0.00 -0.29 2.19 0.18 0.52 0.00 0.00 175.17 177.77 1y77 n LEU 901 N 5.06 0.00 -2.98 -1.34 4.77 -1.26 -2.54 117.00 118.70 1y77 n LEU 901 Ca -0.09 0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.59 1y77 n LEU 901 Cb 0.47 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1y77 n LEU 901 CO 0.13 -0.00 0.66 0.18 -1.33 0.00 0.00 177.39 177.02 1y77 n LEU 902 N -1.01 5.65 -3.46 2.23 4.77 -1.26 0.20 117.00 124.12 1y77 n LEU 902 Ca 0.23 -5.38 0.03 0.00 -0.03 0.00 0.00 56.01 50.86 1y77 n LEU 902 Cb 0.12 -0.75 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 1y77 n LEU 902 CO 0.18 2.17 0.95 0.21 -1.33 0.00 0.00 177.39 179.57 1y77 s ASN 903 N -2.66 -0.09 0.64 -1.43 3.04 -1.25 -5.00 114.94 108.19 1y77 s ASN 903 Ca 0.47 0.14 0.31 0.00 0.04 0.00 0.00 52.86 53.82 1y77 s ASN 903 Cb 0.31 1.07 1.72 0.00 -1.54 0.00 0.00 41.25 42.81 1y77 s ASN 903 CO -0.19 -0.02 2.01 0.74 -3.04 0.00 0.00 177.10 176.60 1y77 h THR 904 N 5.04 0.14 -0.00 -5.21 2.02 -1.92 -2.61 112.91 110.36 1y77 h THR 904 Ca -0.21 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.97 1y77 h THR 904 Cb 1.14 0.73 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1y77 h THR 904 CO 0.16 0.00 -0.19 0.47 0.37 0.00 0.00 175.52 176.33 1y77 n ASP 905 N -3.20 0.54 -0.19 4.18 8.00 -1.26 -4.63 116.55 120.00 1y77 n ASP 905 Ca 0.00 -0.77 0.05 0.00 0.71 0.00 0.00 54.79 54.78 1y77 n ASP 905 Cb 0.38 0.76 0.10 0.00 -0.02 0.00 0.00 41.12 42.33 1y77 n ASP 905 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1y77 n HIS 906 N -0.78 0.15 -3.28 1.24 8.25 -1.02 -5.02 115.22 114.76 1y77 n HIS 906 Ca 0.02 -0.72 -0.19 0.00 -0.26 0.00 0.00 57.72 56.57 1y77 n HIS 906 Cb 0.10 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.09 1y77 n HIS 906 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1y77 s THR 907 N -1.88 3.14 -0.22 1.59 2.01 -1.02 -0.68 115.64 118.57 1y77 s THR 907 Ca 0.19 -1.11 -0.29 0.00 0.31 0.00 0.00 61.69 60.79 1y77 s THR 907 Cb 0.15 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.58 1y77 s THR 907 CO 0.04 -0.04 1.09 -0.76 -0.69 0.00 0.00 174.62 174.26 1y77 s LEU 908 N -4.24 4.10 0.06 4.42 1.43 -1.26 -4.95 118.68 118.24 1y77 s LEU 908 Ca 0.51 1.42 -0.31 0.00 -1.03 0.00 0.00 54.13 54.72 1y77 s LEU 908 Cb -0.08 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.52 1y77 s LEU 908 CO 0.31 -0.71 1.74 -0.62 0.23 0.00 0.00 176.35 177.31 1y77 s ASP 909 N 1.40 6.54 0.00 2.29 -1.08 -1.26 -4.79 116.67 119.77 1y77 s ASP 909 Ca 0.46 2.55 0.00 0.00 -0.52 0.00 0.00 52.55 55.04 1y77 s ASP 909 Cb -0.16 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1y77 s ASP 909 CO 0.08 -0.95 0.49 -0.81 0.52 0.00 0.00 175.17 174.51 1y77 n PRO 910 N 6.10 0.00 0.00 4.34 -0.04 -1.26 -0.62 135.00 143.51 1y77 n PRO 910 Ca 0.17 0.11 0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1y77 n PRO 910 Cb 0.40 -1.73 0.50 0.00 -0.04 0.00 0.00 33.50 32.64 1y77 n PRO 910 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1y77 n SER 911 N -0.99 0.00 -0.05 3.54 3.41 -1.26 -3.71 113.62 114.55 1y77 n SER 911 Ca 0.00 0.04 -0.12 0.00 -0.26 0.00 0.00 58.87 58.53 1y77 n SER 911 Cb 0.23 -0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 1y77 n SER 911 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1y77 n LEU 912 N -1.30 1.07 -4.77 1.04 4.77 0.20 -4.13 117.00 113.88 1y77 n LEU 912 Ca 0.09 0.18 -0.36 0.00 -0.03 0.00 0.00 56.01 55.89 1y77 n LEU 912 Cb 0.17 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.76 1y77 n LEU 912 CO 0.16 0.08 -0.17 -0.22 -1.33 0.00 0.00 177.39 175.91 1y77 s LEU 913 N -6.89 4.26 0.14 2.23 2.96 -1.24 0.12 118.68 120.25 1y77 s LEU 913 Ca -0.17 0.30 -0.25 0.00 -0.22 0.00 0.00 54.13 53.79 1y77 s LEU 913 Cb 0.06 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.65 1y77 s LEU 913 CO 0.23 0.24 1.62 -0.08 -1.32 0.00 0.00 176.35 177.04 1y77 h GLU 914 N 6.21 -0.33 -1.75 1.98 4.81 -1.76 -0.52 114.58 123.22 1y77 h GLU 914 Ca -0.45 0.02 -0.35 0.00 -0.13 0.00 0.00 59.36 58.45 1y77 h GLU 914 Cb 1.17 0.07 -0.14 0.00 0.63 0.00 0.00 28.75 30.49 1y77 h GLU 914 CO 0.71 -0.22 0.32 -1.13 -0.73 0.00 0.00 179.01 177.96 1y77 n SER 915 N -5.39 6.31 0.07 1.04 3.41 -1.26 -4.61 113.62 113.19 1y77 n SER 915 Ca -0.03 -3.03 -0.10 0.00 -0.26 0.00 0.00 58.87 55.46 1y77 n SER 915 Cb 0.31 -1.15 -0.07 0.00 -0.26 0.00 0.00 64.21 63.04 1y77 n SER 915 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1y77 h GLY 916 N 3.22 -0.28 1.62 5.00 0.00 -1.37 -3.26 103.07 108.01 1y77 h GLY 916 Ca 0.30 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1y77 h GLY 916 CO 0.71 -0.10 0.17 1.48 0.00 0.00 0.00 176.54 178.80 1y77 h SER 917 N -0.93 0.44 -0.13 0.19 4.64 -1.82 -1.71 113.55 114.23 1y77 h SER 917 Ca -0.03 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1y77 h SER 917 Cb 0.48 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1y77 h SER 917 CO 0.04 0.38 0.00 -1.84 -0.87 0.00 0.00 176.83 174.55 1y77 n GLU 918 N -4.42 1.46 -0.08 4.77 0.28 -1.25 -3.74 120.64 117.66 1y77 n GLU 918 Ca 0.02 -0.53 -0.15 0.00 -0.16 0.00 0.00 57.16 56.34 1y77 n GLU 918 Cb 0.12 -1.28 -0.07 0.00 1.43 0.00 0.00 31.44 31.63 1y77 n GLU 918 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 1y77 n ILE 919 N -0.02 0.93 -1.14 3.84 5.41 -0.65 -4.85 119.36 122.89 1y77 n ILE 919 Ca 0.05 -0.29 -0.52 0.00 1.00 0.00 0.00 62.75 62.99 1y77 n ILE 919 Cb 0.22 -1.42 -0.11 0.00 -0.71 0.00 0.00 39.64 37.62 1y77 n ILE 919 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1y77 n LEU 920 N -3.40 0.63 0.00 1.39 0.00 -1.19 0.11 117.00 114.54 1y77 n LEU 920 Ca -0.31 0.56 0.00 0.00 0.00 0.00 0.00 56.01 56.26 1y77 n LEU 920 Cb 0.77 -0.80 0.00 0.00 0.00 0.00 0.00 43.42 43.39 1y77 n LEU 920 CO 0.09 -0.68 0.00 0.61 0.00 0.00 0.00 177.39 177.40 1y77 n GLY 921 N 6.59 3.15 2.42 -3.96 0.00 0.54 -4.98 105.19 108.95 1y77 n GLY 921 Ca 0.50 -0.95 -0.44 0.00 0.00 0.00 0.00 46.02 45.13 1y77 n GLY 921 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1y77 n ASP 922 N 0.69 0.75 0.04 1.61 -0.08 0.12 -4.80 116.55 114.88 1y77 n ASP 922 Ca 0.00 0.74 -0.07 0.00 -1.51 0.00 0.00 54.79 53.95 1y77 n ASP 922 Cb 0.00 -0.58 -0.12 0.00 2.34 0.00 0.00 41.12 42.76 1y77 n ASP 922 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1y77 h LEU 923 N 3.62 0.00 -1.40 -2.67 3.38 -1.96 -3.26 115.31 113.02 1y77 h LEU 923 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1y77 h LEU 923 Cb 0.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1y77 h LEU 923 CO 0.65 0.96 0.00 0.11 0.09 0.00 0.00 178.44 180.25 1y77 h LYS 924 N 0.00 0.00 0.10 1.13 1.57 -2.00 -2.98 116.57 114.40 1y77 h LYS 924 Ca -0.11 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.46 1y77 h LYS 924 Cb 1.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.14 1y77 h LYS 924 CO 0.11 0.00 -1.06 -0.07 -0.57 0.00 0.00 179.45 177.86 1y77 h LEU 925 N 0.00 0.35 -0.77 2.94 3.38 -1.95 -3.31 115.31 115.94 1y77 h LEU 925 Ca 0.00 -0.88 0.00 0.00 0.09 0.00 0.00 57.88 57.09 1y77 h LEU 925 Cb 0.48 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1y77 h LEU 925 CO 0.00 1.47 0.33 0.00 0.09 0.00 0.00 178.44 180.33 1y77 n GLN 926 N -4.10 0.08 0.04 1.13 1.13 -1.13 0.04 117.38 114.57 1y77 n GLN 926 Ca -0.20 0.55 -0.21 0.00 -1.94 0.00 0.00 57.00 55.19 1y77 n GLN 926 Cb 0.82 -2.09 -0.14 0.00 0.11 0.00 0.00 30.24 28.94 1y77 n GLN 926 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1y77 h VAL 927 N 0.00 1.20 0.73 5.09 2.07 -1.64 -0.13 116.25 123.57 1y77 h VAL 927 Ca 0.00 -2.48 -0.04 0.00 0.82 0.00 0.00 66.70 65.00 1y77 h VAL 927 Cb 0.65 2.90 0.01 0.00 -1.52 0.00 0.00 31.29 33.33 1y77 h VAL 927 CO 0.00 0.73 -0.35 -0.07 0.02 0.00 0.00 177.57 177.90 1y77 h LEU 928 N -0.25 -0.83 -0.96 2.57 3.38 -0.54 0.63 115.31 119.31 1y77 h LEU 928 Ca -0.25 0.01 0.27 0.00 0.09 0.00 0.00 57.88 57.99 1y77 h LEU 928 Cb 1.79 0.22 -0.14 0.00 0.09 0.00 0.00 40.66 42.62 1y77 h LEU 928 CO 0.12 -0.54 0.48 -0.07 0.09 0.00 0.00 178.44 178.51 1y77 h LEU 929 N -1.08 0.42 -0.19 1.67 -0.00 -1.02 0.28 115.31 115.39 1y77 h LEU 929 Ca -0.10 0.17 -0.21 0.00 -0.00 0.00 0.00 57.88 57.74 1y77 h LEU 929 Cb 0.77 0.14 -0.01 0.00 -0.00 0.00 0.00 40.66 41.56 1y77 h LEU 929 CO 0.17 -0.06 -0.94 0.44 -0.00 0.00 0.00 178.44 178.05 1y77 h ASP 930 N 0.38 0.31 0.50 -0.43 3.32 -0.45 -2.80 116.42 117.25 1y77 h ASP 930 Ca 0.64 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 1y77 h ASP 930 Cb 1.34 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 40.79 1y77 h ASP 930 CO -0.57 1.09 -0.30 -0.33 -1.72 0.00 0.00 179.24 177.41 1y77 h GLU 931 N 0.12 -0.73 -0.88 3.56 5.08 0.36 -0.92 114.58 121.17 1y77 h GLU 931 Ca -0.06 0.05 0.20 0.00 -1.00 0.00 0.00 59.36 58.55 1y77 h GLU 931 Cb 1.60 0.17 -0.16 0.00 0.50 0.00 0.00 28.75 30.85 1y77 h GLU 931 CO 0.15 -0.49 -0.07 1.49 -1.00 0.00 0.00 179.01 179.08 1y77 h GLU 932 N -0.76 0.04 -0.28 2.33 4.81 -0.92 -0.98 114.58 118.81 1y77 h GLU 932 Ca -0.06 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 1y77 h GLU 932 Cb 0.62 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 1y77 h GLU 932 CO 0.06 0.02 -0.47 -0.92 -0.73 0.00 0.00 179.01 176.98 1y77 h TYR 933 N 0.04 1.02 0.00 0.92 3.20 -1.20 -1.29 116.97 119.65 1y77 h TYR 933 Ca 0.47 -0.35 0.00 0.00 3.14 0.00 0.00 58.73 61.99 1y77 h TYR 933 Cb 0.85 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.92 1y77 h TYR 933 CO -0.55 1.16 0.00 1.63 -1.64 0.00 0.00 178.16 178.76 1y77 n LYS 934 N -4.09 0.18 -0.10 1.82 5.02 -0.38 -1.31 118.16 119.31 1y77 n LYS 934 Ca -0.04 0.16 -0.13 0.00 -2.02 0.00 0.00 58.31 56.27 1y77 n LYS 934 Cb 0.58 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 34.04 1y77 n LYS 934 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 1y77 n GLN 935 N -1.25 0.53 -0.30 1.97 -0.06 -0.80 -3.15 117.38 114.31 1y77 n GLN 935 Ca 0.06 0.30 0.33 0.00 -2.00 0.00 0.00 57.00 55.69 1y77 n GLN 935 Cb 0.08 -1.51 0.72 0.00 -4.06 0.00 0.00 30.24 25.48 1y77 n GLN 935 CO 0.00 0.00 0.00 -0.07 -0.20 0.00 0.00 177.06 176.79 1y77 h LEU 936 N -1.00 0.05 0.04 1.69 3.38 -1.01 0.73 115.31 119.19 1y77 h LEU 936 Ca -0.16 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1y77 h LEU 936 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1y77 h LEU 936 CO -0.10 0.01 -0.02 0.58 0.09 0.00 0.00 178.44 179.00 1y77 h VAL 937 N 0.05 1.22 -0.45 1.22 2.07 -1.36 -2.18 116.25 116.82 1y77 h VAL 937 Ca 0.55 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 67.24 1y77 h VAL 937 Cb 2.11 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 33.63 1y77 h VAL 937 CO -0.04 0.22 0.24 0.50 0.02 0.00 0.00 177.57 178.50 1y77 h LYS 938 N -0.43 0.46 -0.57 1.57 3.64 0.32 -2.15 116.57 119.41 1y77 h LYS 938 Ca -0.01 -0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.46 1y77 h LYS 938 Cb 0.40 -0.10 -0.11 0.00 -0.41 0.00 0.00 32.23 32.00 1y77 h LYS 938 CO 0.01 0.31 -0.25 -0.44 -2.27 0.00 0.00 179.45 176.81 1y77 h ASP 939 N 0.48 -0.87 0.00 4.20 5.19 -0.43 -0.31 116.42 124.68 1y77 h ASP 939 Ca 0.19 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 1y77 h ASP 939 Cb 0.07 0.47 0.00 0.00 0.18 0.00 0.00 39.33 40.06 1y77 h ASP 939 CO -0.12 -0.26 0.00 -1.14 -3.12 0.00 0.00 179.24 174.60 1y77 n ARG 940 N -5.43 0.00 -0.33 3.56 3.00 -0.82 -0.78 116.66 115.87 1y77 n ARG 940 Ca 0.05 0.54 0.04 0.00 -0.00 0.00 0.00 57.85 58.47 1y77 n ARG 940 Cb 0.34 -1.15 0.11 0.00 0.00 0.00 0.00 32.46 31.76 1y77 n ARG 940 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1y77 h LYS 941 N 0.00 -0.01 -0.39 -0.14 1.79 -1.36 0.18 116.57 116.63 1y77 h LYS 941 Ca 0.00 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.55 1y77 h LYS 941 Cb 0.00 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.56 1y77 h LYS 941 CO 0.00 -0.00 -0.26 0.35 -1.08 0.00 0.00 179.45 178.45 1y77 h PHE 942 N -0.01 -0.70 -0.30 -1.35 3.57 -0.38 -0.52 116.94 117.25 1y77 h PHE 942 Ca 0.42 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.98 1y77 h PHE 942 Cb 0.66 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 1y77 h PHE 942 CO -0.73 -0.34 0.20 -0.07 -2.23 0.00 0.00 178.31 175.15 1y77 h LEU 943 N -0.20 0.35 0.00 0.59 3.38 0.14 -1.07 115.31 118.51 1y77 h LEU 943 Ca 0.19 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1y77 h LEU 943 Cb 0.49 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1y77 h LEU 943 CO -0.51 0.26 0.00 0.54 0.09 0.00 0.00 178.44 178.82 1y77 n ARG 944 N -4.87 0.17 -0.00 1.13 1.74 -0.27 -0.56 116.66 114.00 1y77 n ARG 944 Ca -0.01 0.15 0.11 0.00 -0.77 0.00 0.00 57.85 57.32 1y77 n ARG 944 Cb 0.03 -1.50 -0.16 0.00 -1.02 0.00 0.00 32.46 29.81 1y77 n ARG 944 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1y77 n GLU 945 N -1.21 0.64 -0.11 5.56 1.02 -0.30 -4.37 120.64 121.87 1y77 n GLU 945 Ca 0.05 -0.18 -0.20 0.00 -0.02 0.00 0.00 57.16 56.82 1y77 n GLU 945 Cb 0.06 -1.54 -0.07 0.00 -0.02 0.00 0.00 31.44 29.87 1y77 n GLU 945 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1y77 n VAL 946 N -2.27 1.51 -3.18 2.62 0.31 0.14 -4.70 118.33 112.77 1y77 n VAL 946 Ca -0.04 -0.11 -0.42 0.00 -0.01 0.00 0.00 64.34 63.77 1y77 n VAL 946 Cb 0.56 -2.10 -0.01 0.00 -0.91 0.00 0.00 33.84 31.39 1y77 n VAL 946 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1y77 n PHE 947 N -4.38 3.32 -0.33 3.52 3.01 0.28 -4.88 117.46 118.00 1y77 n PHE 947 Ca -0.34 -3.19 0.15 0.00 1.01 0.00 0.00 57.45 55.09 1y77 n PHE 947 Cb 0.68 -1.31 0.35 0.00 -0.01 0.00 0.00 39.48 39.20 1y77 n PHE 947 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1y77 h VAL 948 N 3.51 0.54 -1.07 -4.37 2.07 -1.80 -2.13 116.25 113.00 1y77 h VAL 948 Ca 0.19 -0.19 0.35 0.00 0.82 0.00 0.00 66.70 67.88 1y77 h VAL 948 Cb 0.70 -0.05 -0.14 0.00 -1.52 0.00 0.00 31.29 30.28 1y77 h VAL 948 CO 1.17 0.10 0.63 0.44 0.02 0.00 0.00 177.57 179.94 1y77 h ASP 949 N 0.54 0.43 0.00 0.57 3.32 -1.90 -3.44 116.42 115.94 1y77 h ASP 949 Ca 0.61 0.18 0.00 0.00 0.02 0.00 0.00 57.03 57.84 1y77 h ASP 949 Cb 1.13 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1y77 h ASP 949 CO -0.48 -0.16 0.00 0.61 -1.72 0.00 0.00 179.24 177.49 1y77 n GLY 950 N -1.35 0.36 3.72 2.75 0.00 -0.80 -4.74 105.19 105.13 1y77 n GLY 950 Ca 0.33 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.93 1y77 n GLY 950 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1y77 n GLU 951 N -1.84 2.73 -0.00 1.61 4.07 -1.26 -4.73 120.64 121.21 1y77 n GLU 951 Ca 0.00 0.98 0.05 0.00 -0.06 0.00 0.00 57.16 58.13 1y77 n GLU 951 Cb 0.00 -2.80 -0.08 0.00 -0.06 0.00 0.00 31.44 28.50 1y77 n GLU 951 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1y77 n ALA 952 N 3.38 2.49 -2.60 4.31 0.00 -1.26 -4.94 120.51 121.88 1y77 n ALA 952 Ca 0.14 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.90 1y77 n ALA 952 Cb 0.35 -0.37 -0.06 0.00 0.00 0.00 0.00 19.45 19.38 1y77 n ALA 952 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1y77 s ASN 953 N -3.10 6.58 0.06 0.00 0.01 -1.26 -1.88 114.94 115.35 1y77 s ASN 953 Ca -0.03 0.52 0.02 0.00 -0.71 0.00 0.00 52.86 52.66 1y77 s ASN 953 Cb 0.07 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.32 1y77 s ASN 953 CO 0.44 -0.57 -0.06 0.26 -1.51 0.00 0.00 177.10 175.65 1y77 s TRP 954 N 2.83 0.69 0.05 2.20 0.52 -0.74 -4.91 118.94 119.58 1y77 s TRP 954 Ca 0.29 -0.69 -0.30 0.00 0.02 0.00 0.00 56.10 55.42 1y77 s TRP 954 Cb -0.14 -0.42 -0.05 0.00 -1.15 0.00 0.00 33.47 31.71 1y77 s TRP 954 CO 0.13 -0.14 1.13 -1.25 0.02 0.00 0.00 176.95 176.83 1y77 s PRO 955 N -2.52 4.48 0.07 4.98 0.04 -1.26 -1.56 135.00 139.24 1y77 s PRO 955 Ca -0.02 1.67 -0.16 0.00 0.04 0.00 0.00 61.00 62.53 1y77 s PRO 955 Cb -0.03 -3.37 0.03 0.00 0.04 0.00 0.00 34.50 31.16 1y77 s PRO 955 CO -0.02 -0.17 0.38 -0.51 0.04 0.00 0.00 177.00 176.71 1y77 s LEU 956 N 0.95 0.55 0.75 -3.56 1.43 -0.71 -4.89 118.68 113.20 1y77 s LEU 956 Ca 0.56 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 53.37 1y77 s LEU 956 Cb -0.27 1.66 0.04 0.00 0.03 0.00 0.00 46.19 47.65 1y77 s LEU 956 CO 0.29 -0.72 1.08 -2.16 0.23 0.00 0.00 176.35 175.07 1y77 s PRO 957 N -3.02 2.45 -0.02 1.29 0.04 -1.26 -1.92 135.00 132.56 1y77 s PRO 957 Ca -0.02 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 61.91 1y77 s PRO 957 Cb 0.00 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1y77 s PRO 957 CO -0.06 -1.43 0.05 0.28 0.04 0.00 0.00 177.00 175.88 1y77 n VAL 958 N -3.35-11.50 -2.78 -0.36 0.31 -1.26 -4.82 118.33 94.57 1y77 n VAL 958 Ca 0.08 2.66 -0.43 0.00 -0.01 0.00 0.00 64.34 66.64 1y77 n VAL 958 Cb 0.54 -5.57 -0.04 0.00 -0.91 0.00 0.00 33.84 27.86 1y77 n VAL 958 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1y77 s ASN 959 N -0.53 6.32 0.04 4.52 3.84 -1.26 -4.88 114.94 123.00 1y77 s ASN 959 Ca -0.06 -0.37 -0.17 0.00 0.21 0.00 0.00 52.86 52.48 1y77 s ASN 959 Cb 0.00 -2.46 -0.24 0.00 -0.55 0.00 0.00 41.25 38.01 1y77 s ASN 959 CO 0.16 -1.33 1.14 0.40 -2.79 0.00 0.00 177.10 174.68 1y77 h ILE 960 N 6.04 1.35 -0.93 -5.21 2.04 -1.98 -2.39 117.51 116.43 1y77 h ILE 960 Ca -0.26 -2.18 0.09 0.00 1.00 0.00 0.00 64.86 63.51 1y77 h ILE 960 Cb 1.07 2.50 -0.12 0.00 -0.74 0.00 0.00 36.82 39.52 1y77 h ILE 960 CO 1.13 0.66 -0.57 -0.09 0.00 0.00 0.00 178.15 179.28 1y77 h ARG 961 N 0.16 -0.04 -0.43 2.37 2.43 -2.00 -0.69 114.38 116.17 1y77 h ARG 961 Ca -0.11 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.93 1y77 h ARG 961 Cb 1.53 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 31.08 1y77 h ARG 961 CO 0.17 -0.03 -0.26 0.00 -1.51 0.00 0.00 179.97 178.34 1y77 h ARG 962 N -0.05 0.92 -0.96 0.20 3.08 -1.99 -2.76 114.38 112.83 1y77 h ARG 962 Ca 0.17 -0.41 0.24 0.00 0.07 0.00 0.00 59.98 60.05 1y77 h ARG 962 Cb 0.45 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.41 1y77 h ARG 962 CO -0.90 1.07 0.64 0.97 -1.07 0.00 0.00 179.97 180.67 1y77 h ILE 963 N 0.79 0.60 0.00 2.04 2.10 -0.60 -0.34 117.51 122.10 1y77 h ILE 963 Ca 0.09 -0.11 -0.00 0.00 1.08 0.00 0.00 64.86 65.92 1y77 h ILE 963 Cb 0.82 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 36.79 1y77 h ILE 963 CO 0.07 0.06 -0.00 0.40 -1.08 0.00 0.00 178.15 177.60 1y77 h ILE 964 N 0.34 1.73 -0.92 2.19 2.04 -1.25 -3.14 117.51 118.49 1y77 h ILE 964 Ca 0.51 -2.15 0.34 0.00 1.00 0.00 0.00 64.86 64.56 1y77 h ILE 964 Cb 1.39 3.19 -0.17 0.00 -0.74 0.00 0.00 36.82 40.50 1y77 h ILE 964 CO -0.18 0.56 0.34 0.00 0.00 0.00 0.00 178.15 178.86 1y77 n GLN 965 N -4.65 -0.06 0.04 2.37 6.02 -0.20 0.12 117.38 121.01 1y77 n GLN 965 Ca -0.10 1.31 -0.12 0.00 -0.01 0.00 0.00 57.00 58.08 1y77 n GLN 965 Cb 0.44 -2.26 -0.09 0.00 1.02 0.00 0.00 30.24 29.35 1y77 n GLN 965 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 1y77 h ASN 966 N 0.00 -0.12 -0.96 1.08 2.35 -1.47 -2.87 115.58 113.59 1y77 h ASN 966 Ca 0.71 -0.40 0.30 0.00 -0.55 0.00 0.00 56.30 56.36 1y77 h ASN 966 Cb 1.77 0.03 -0.16 0.00 0.05 0.00 0.00 38.32 40.01 1y77 h ASN 966 CO -0.76 0.37 0.36 0.00 -1.65 0.00 0.00 177.43 175.74 1y77 h ALA 967 N 0.13 1.63 -3.00 -0.83 0.00 0.95 0.12 119.26 118.26 1y77 h ALA 967 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1y77 h ALA 967 Cb 0.51 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1y77 h ALA 967 CO 0.02 -0.61 0.00 1.04 0.00 0.00 0.00 179.25 179.70 1y77 n GLN 968 N -5.23 0.00 0.00 0.00 1.13 0.69 -2.43 117.38 111.54 1y77 n GLN 968 Ca 0.28 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.34 1y77 n GLN 968 Cb 0.90 -0.35 0.02 0.00 0.11 0.00 0.00 30.24 30.92 1y77 n GLN 968 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1y77 n GLN 969 N 0.00 0.06 0.06 -1.09 10.64 -1.04 -1.36 117.38 124.65 1y77 n GLN 969 Ca 0.00 0.00 0.11 0.00 -1.83 0.00 0.00 57.00 55.28 1y77 n GLN 969 Cb 0.00 -1.14 0.01 0.00 -0.86 0.00 0.00 30.24 28.25 1y77 n GLN 969 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1y77 n THR 970 N -0.64 0.36 -1.52 -0.39 -1.04 0.37 -4.04 114.28 107.38 1y77 n THR 970 Ca 0.00 -0.40 0.06 0.00 -2.04 0.00 0.00 64.05 61.67 1y77 n THR 970 Cb 0.00 -0.09 0.09 0.00 -1.82 0.00 0.00 70.33 68.52 1y77 n THR 970 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1y77 n PHE 971 N -2.31 0.00 -3.89 -1.42 3.01 -0.46 -5.00 117.46 107.38 1y77 n PHE 971 Ca 0.01 -0.67 -0.25 0.00 1.01 0.00 0.00 57.45 57.54 1y77 n PHE 971 Cb 0.50 -0.13 -0.08 0.00 -0.01 0.00 0.00 39.48 39.77 1y77 n PHE 971 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1y77 n HIS 972 N -0.80 -0.96 -1.67 1.38 8.25 -1.13 -4.76 115.22 115.53 1y77 n HIS 972 Ca 0.10 0.48 -0.44 0.00 -0.26 0.00 0.00 57.72 57.60 1y77 n HIS 972 Cb 0.70 -2.07 -0.03 0.00 1.12 0.00 0.00 29.99 29.70 1y77 n HIS 972 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1y77 n ILE 973 N -3.70 0.72 -3.25 1.59 5.41 -1.23 -4.96 119.36 113.94 1y77 n ILE 973 Ca -0.21 -0.13 -0.39 0.00 1.00 0.00 0.00 62.75 63.02 1y77 n ILE 973 Cb 0.52 -2.22 -0.06 0.00 -0.71 0.00 0.00 39.64 37.17 1y77 n ILE 973 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1y77 s ASP 974 N 4.34 6.63 0.00 4.38 -4.77 -1.26 -4.96 116.67 121.03 1y77 s ASP 974 Ca 0.90 0.75 0.11 0.00 -3.30 0.00 0.00 52.55 51.01 1y77 s ASP 974 Cb -0.49 -2.30 0.65 0.00 -1.09 0.00 0.00 42.92 39.69 1y77 s ASP 974 CO 0.44 -0.13 1.10 1.41 0.70 0.00 0.00 175.17 178.69 1y77 n HIS 975 N 4.45 0.00 0.00 2.11 8.25 -1.26 -4.04 115.22 124.73 1y77 n HIS 975 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1y77 n HIS 975 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1y77 n HIS 975 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1y77 n THR 976 N -0.82 0.00 -0.71 1.59 -2.24 -1.26 -4.99 114.28 105.84 1y77 n THR 976 Ca 0.08 0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.95 1y77 n THR 976 Cb 0.04 -1.26 0.21 0.00 -2.10 0.00 0.00 70.33 67.22 1y77 n THR 976 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1y77 s LYS 977 N -0.76 -0.13 0.56 -0.78 1.02 -1.26 -4.98 119.74 113.41 1y77 s LYS 977 Ca 0.00 0.97 -0.06 0.00 0.02 0.00 0.00 55.97 56.90 1y77 s LYS 977 Cb 0.00 -1.64 -0.01 0.00 -0.52 0.00 0.00 37.83 35.67 1y77 s LYS 977 CO 0.00 -3.23 0.86 -1.25 -0.92 0.00 0.00 175.35 170.81 1y77 s PRO 978 N -4.60 3.11 0.00 -1.68 0.04 -1.26 -4.94 135.00 125.67 1y77 s PRO 978 Ca 0.67 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1y77 s PRO 978 Cb -0.23 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.00 1y77 s PRO 978 CO 0.62 -0.55 0.00 0.45 0.04 0.00 0.00 177.00 177.56 1y77 n SER 979 N -2.48 -0.51 -1.49 6.66 2.88 0.33 -4.82 113.62 114.19 1y77 n SER 979 Ca 0.03 -0.69 -0.01 0.00 -1.33 0.00 0.00 58.87 56.87 1y77 n SER 979 Cb 0.57 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 1y77 n SER 979 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1y77 n ASP 980 N -2.82 0.04 -4.73 -3.46 5.75 -1.26 -2.75 116.55 107.32 1y77 n ASP 980 Ca 0.00 -2.02 -0.36 0.00 -0.01 0.00 0.00 54.79 52.40 1y77 n ASP 980 Cb 0.00 0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.03 1y77 n ASP 980 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1y77 s LEU 981 N -0.61 4.24 0.55 -2.12 1.43 -1.26 -4.69 118.68 116.22 1y77 s LEU 981 Ca 0.18 0.50 -0.18 0.00 -1.03 0.00 0.00 54.13 53.60 1y77 s LEU 981 Cb 0.23 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1y77 s LEU 981 CO -0.09 0.10 1.07 -0.89 0.23 0.00 0.00 176.35 176.77 1y77 s THR 982 N 0.47 3.62 0.43 5.49 2.01 -1.26 -4.84 115.64 121.55 1y77 s THR 982 Ca 0.16 0.89 0.26 0.00 0.31 0.00 0.00 61.69 63.31 1y77 s THR 982 Cb -0.13 -3.36 0.28 0.00 0.01 0.00 0.00 72.50 69.31 1y77 s THR 982 CO 0.04 -0.33 2.07 0.40 -0.69 0.00 0.00 174.62 176.11 1y77 h ILE 983 N 0.93 0.63 0.26 1.82 2.04 -1.97 -1.57 117.51 119.65 1y77 h ILE 983 Ca -0.48 -0.52 -0.01 0.00 1.00 0.00 0.00 64.86 64.84 1y77 h ILE 983 Cb 1.23 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1y77 h ILE 983 CO 0.57 0.12 -0.12 0.11 0.00 0.00 0.00 178.15 178.83 1y77 h LYS 984 N 0.00 -0.34 -0.61 2.37 1.57 -1.98 -2.68 116.57 114.89 1y77 h LYS 984 Ca -0.00 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1y77 h LYS 984 Cb 0.32 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.60 1y77 h LYS 984 CO 0.02 0.01 -0.20 -0.25 -0.57 0.00 0.00 179.45 178.46 1y77 n ASP 985 N -5.07 -0.31 0.00 0.86 8.00 -0.62 0.16 116.55 119.58 1y77 n ASP 985 Ca -0.09 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.48 1y77 n ASP 985 Cb 0.26 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1y77 n ASP 985 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1y77 n ILE 986 N -4.95 0.00 -0.10 0.53 5.41 -1.03 -3.17 119.36 116.05 1y77 n ILE 986 Ca 0.08 0.45 0.25 0.00 1.00 0.00 0.00 62.75 64.54 1y77 n ILE 986 Cb 0.28 -1.09 0.56 0.00 -0.71 0.00 0.00 39.64 38.67 1y77 n ILE 986 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1y77 h VAL 987 N 0.00 0.13 -0.12 1.39 2.07 -1.20 0.43 116.25 118.95 1y77 h VAL 987 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1y77 h VAL 987 Cb 0.00 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1y77 h VAL 987 CO 0.00 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.77 1y77 n LEU 988 N -3.40 2.12 -0.05 2.57 4.77 0.12 -3.52 117.00 119.62 1y77 n LEU 988 Ca 0.17 -0.80 -0.05 0.00 -0.03 0.00 0.00 56.01 55.30 1y77 n LEU 988 Cb 1.19 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 42.14 1y77 n LEU 988 CO 0.25 0.40 -0.81 0.61 -1.33 0.00 0.00 177.39 176.51 1y77 n GLY 989 N 1.24 -0.41 0.33 -0.72 0.00 0.15 -3.72 105.19 102.06 1y77 n GLY 989 Ca 0.17 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1y77 n GLY 989 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1y77 h VAL 990 N 0.00 1.24 0.32 1.61 2.07 -1.58 0.32 116.25 120.22 1y77 h VAL 990 Ca -0.25 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.49 1y77 h VAL 990 Cb 1.54 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 1y77 h VAL 990 CO 0.01 0.31 -0.15 0.50 0.02 0.00 0.00 177.57 178.25 1y77 h LYS 991 N 1.02 -0.41 0.00 1.57 3.64 -1.76 -2.63 116.57 117.99 1y77 h LYS 991 Ca 0.24 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.64 1y77 h LYS 991 Cb 0.21 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 1y77 h LYS 991 CO -0.02 -0.08 0.08 -0.25 -2.27 0.00 0.00 179.45 176.92 1y77 n ASP 992 N -5.11 0.25 -0.02 4.20 8.00 -0.98 -1.73 116.55 121.16 1y77 n ASP 992 Ca -0.09 0.57 -0.02 0.00 0.71 0.00 0.00 54.79 55.96 1y77 n ASP 992 Cb 0.27 -0.58 -0.01 0.00 -0.02 0.00 0.00 41.12 40.77 1y77 n ASP 992 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1y77 h LEU 993 N 0.00 -0.06 -1.69 0.64 5.85 -0.02 -3.29 115.31 116.74 1y77 h LEU 993 Ca 0.00 -0.07 0.39 0.00 0.84 0.00 0.00 57.88 59.04 1y77 h LEU 993 Cb 0.17 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 1y77 h LEU 993 CO 0.00 0.46 0.91 1.56 -0.34 0.00 0.00 178.44 181.04 1y77 h GLN 994 N -1.01 0.11 -0.30 1.25 4.20 -1.08 0.34 115.11 118.61 1y77 h GLN 994 Ca -0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1y77 h GLN 994 Cb 0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1y77 h GLN 994 CO 0.01 0.07 0.16 0.93 -0.67 0.00 0.00 178.83 179.33 1y77 h GLU 995 N 0.11 0.41 -0.57 1.46 4.39 -1.57 -2.76 114.58 116.05 1y77 h GLU 995 Ca 0.71 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.37 1y77 h GLU 995 Cb 2.45 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 31.02 1y77 h GLU 995 CO -0.19 0.32 0.00 0.09 -1.16 0.00 0.00 179.01 178.07 1y77 n ASN 996 N -4.45 3.47 -3.13 1.42 3.02 0.12 -4.59 115.26 111.12 1y77 n ASN 996 Ca 0.01 -1.98 -0.35 0.00 -0.03 0.00 0.00 54.58 52.23 1y77 n ASN 996 Cb 0.10 -0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 38.86 1y77 n ASN 996 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1y77 n LEU 997 N 1.42 7.74 -4.73 3.41 4.77 -1.04 -4.97 117.00 123.60 1y77 n LEU 997 Ca 0.21 -4.44 -0.41 0.00 -0.03 0.00 0.00 56.01 51.34 1y77 n LEU 997 Cb 0.57 -1.40 -0.04 0.00 -2.33 0.00 0.00 43.42 40.22 1y77 n LEU 997 CO 0.15 1.98 0.79 -0.76 -1.33 0.00 0.00 177.39 178.22 1y77 s LEU 998 N -1.27 4.44 -0.08 2.23 1.02 -1.26 -4.94 118.68 118.82 1y77 s LEU 998 Ca 0.61 1.98 -0.11 0.00 0.02 0.00 0.00 54.13 56.62 1y77 s LEU 998 Cb 0.23 -3.59 -0.04 0.00 0.02 0.00 0.00 46.19 42.81 1y77 s LEU 998 CO -0.10 -0.28 -0.22 0.52 0.02 0.00 0.00 176.35 176.30 1y77 n VAL 999 N 3.05 1.37 -4.00 -1.59 0.31 -1.26 -4.91 118.33 111.31 1y77 n VAL 999 Ca 0.05 0.21 -0.31 0.00 -0.01 0.00 0.00 64.34 64.27 1y77 n VAL 999 Cb 0.47 -2.04 -0.06 0.00 -0.91 0.00 0.00 33.84 31.31 1y77 n VAL 999 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1y77 s LEU 1000N -7.52 4.07 0.00 7.52 1.43 -1.26 -5.05 118.68 117.86 1y77 s LEU 1000Ca -0.19 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.13 1y77 s LEU 1000Cb 0.03 -2.62 -0.05 0.00 0.03 0.00 0.00 46.19 43.58 1y77 s LEU 1000CO 0.27 0.20 0.34 0.54 0.23 0.00 0.00 176.35 177.92 1y77 n ARG 1001N 0.58 4.17 -0.01 1.70 1.74 -1.26 -4.92 116.66 118.65 1y77 n ARG 1001Ca -0.08 -0.14 -0.00 0.00 -0.77 0.00 0.00 57.85 56.85 1y77 n ARG 1001Cb 0.52 -0.85 0.00 0.00 -1.02 0.00 0.00 32.46 31.11 1y77 n ARG 1001CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1y77 n GLY 1002N 1.03 -0.04 1.38 -0.13 0.00 -1.26 -4.89 105.19 101.28 1y77 n GLY 1002Ca 0.02 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.11 1y77 n GLY 1002CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1y77 n LYS 1003N 0.02 3.80 0.00 1.61 3.00 -1.26 -4.59 118.16 120.75 1y77 n LYS 1003Ca 0.00 -2.90 0.00 0.00 -0.00 0.00 0.00 58.31 55.41 1y77 n LYS 1003Cb 0.01 -1.96 0.00 0.00 0.00 0.00 0.00 35.03 33.08 1y77 n LYS 1003CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1y77 n ASN 1004N 0.35 1.04 -0.09 3.14 0.23 -1.26 -5.05 115.26 113.62 1y77 n ASN 1004Ca 0.24 0.00 -0.10 0.00 -0.53 0.00 0.00 54.58 54.19 1y77 n ASN 1004Cb 0.96 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 38.62 1y77 n ASN 1004CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1y77 n GLU 1005N 0.00 0.51 -0.45 -3.83 4.07 -1.26 -3.25 120.64 116.44 1y77 n GLU 1005Ca 0.00 0.35 0.37 0.00 -0.06 0.00 0.00 57.16 57.82 1y77 n GLU 1005Cb 0.00 -1.55 0.68 0.00 -0.06 0.00 0.00 31.44 30.51 1y77 n GLU 1005CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 1y77 h ILE 1006N -1.00 0.23 0.00 6.31 2.04 -1.99 0.77 117.51 123.88 1y77 h ILE 1006Ca -0.09 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.73 1y77 h ILE 1006Cb 0.91 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1y77 h ILE 1006CO -0.06 0.02 -0.19 0.40 0.00 0.00 0.00 178.15 178.33 1y77 h ILE 1007N 0.11 0.00 0.00 -0.67 1.08 -1.96 -3.23 117.51 112.84 1y77 h ILE 1007Ca 0.75 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1y77 h ILE 1007Cb 2.54 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 36.29 1y77 h ILE 1007CO -0.23 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.23 1y77 n GLN 1008N -3.71 0.00 -0.10 2.37 1.13 -0.97 0.75 117.38 116.85 1y77 n GLN 1008Ca -0.03 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.91 1y77 n GLN 1008Cb 0.10 -1.33 -0.11 0.00 0.11 0.00 0.00 30.24 29.01 1y77 n GLN 1008CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1y77 n ASN 1009N -0.68 1.93 0.22 1.08 2.85 0.23 -4.18 115.26 116.70 1y77 n ASN 1009Ca 0.00 -0.08 0.05 0.00 -0.11 0.00 0.00 54.58 54.44 1y77 n ASN 1009Cb 0.00 0.04 0.50 0.00 1.24 0.00 0.00 39.78 41.56 1y77 n ASN 1009CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1y77 h ALA 1010N 0.24 1.71 -1.63 5.20 0.00 0.32 -2.99 119.26 122.11 1y77 h ALA 1010Ca -0.46 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1y77 h ALA 1010Cb 1.82 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.58 1y77 h ALA 1010CO -0.04 0.22 0.00 0.94 0.00 0.00 0.00 179.25 180.37 1y77 n GLN 1011N -4.34 0.00 -0.33 0.00 -0.06 -0.84 -0.90 117.38 110.91 1y77 n GLN 1011Ca -0.02 0.53 0.31 0.00 -2.00 0.00 0.00 57.00 55.81 1y77 n GLN 1011Cb 0.23 -1.23 0.54 0.00 -4.06 0.00 0.00 30.24 25.73 1y77 n GLN 1011CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 1y77 n ARG 1012N -1.62 -0.04 0.08 3.69 1.74 -1.14 -1.18 116.66 118.19 1y77 n ARG 1012Ca 0.00 1.15 -0.03 0.00 -0.77 0.00 0.00 57.85 58.20 1y77 n ARG 1012Cb 0.00 -2.15 -0.02 0.00 -1.02 0.00 0.00 32.46 29.28 1y77 n ARG 1012CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1y77 h ASP 1013N 0.00 -0.17 0.00 0.55 3.32 -1.14 -0.01 116.42 118.97 1y77 h ASP 1013Ca 0.75 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.80 1y77 h ASP 1013Cb 2.16 0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.76 1y77 h ASP 1013CO -0.56 -0.11 0.39 0.00 -1.72 0.00 0.00 179.24 177.25 1y77 n ALA 1014N -2.13 0.46 -0.13 3.45 0.00 -0.08 -1.34 120.51 120.74 1y77 n ALA 1014Ca -0.03 0.08 -0.25 0.00 0.00 0.00 0.00 53.44 53.24 1y77 n ALA 1014Cb 0.08 -0.57 -0.11 0.00 0.00 0.00 0.00 19.45 18.85 1y77 n ALA 1014CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1y77 n VAL 1015N -1.86 1.53 0.00 0.00 0.31 -1.01 -4.74 118.33 112.56 1y77 n VAL 1015Ca -0.01 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1y77 n VAL 1015Cb 0.40 -1.73 0.00 0.00 -0.91 0.00 0.00 33.84 31.60 1y77 n VAL 1015CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1y77 n THR 1016N -3.90 0.00 -0.26 2.52 -1.04 -0.03 0.21 114.28 111.77 1y77 n THR 1016Ca -0.50 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 61.59 1y77 n THR 1016Cb 0.92 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.63 1y77 n THR 1016CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 1y77 h LEU 1017N 0.00 0.03 0.52 -4.42 5.85 -1.85 -2.11 115.31 113.32 1y77 h LEU 1017Ca 0.00 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1y77 h LEU 1017Cb 0.00 0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1y77 h LEU 1017CO 0.00 -0.05 -0.41 0.15 -0.34 0.00 0.00 178.44 177.79 1y77 h PHE 1018N 0.27 -1.11 -0.78 1.25 3.57 0.21 -2.97 116.94 117.39 1y77 h PHE 1018Ca 0.45 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.13 1y77 h PHE 1018Cb 0.79 0.42 -0.13 0.00 2.79 0.00 0.00 35.95 39.82 1y77 h PHE 1018CO -0.26 -0.59 0.11 0.00 -2.23 0.00 0.00 178.31 175.35 1y77 h LEU 1021N -0.10 0.05 0.13 0.00 5.85 -0.62 0.62 115.31 121.24 1y77 h LEU 1021Ca 0.26 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1y77 h LEU 1021Cb 0.52 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1y77 h LEU 1021CO -0.66 0.06 -0.29 0.25 -0.34 0.00 0.00 178.44 177.46 1y77 h LEU 1022N 0.14 -0.84 -2.00 2.25 5.85 0.58 -1.01 115.31 120.28 1y77 h LEU 1022Ca 0.08 0.08 0.20 0.00 0.84 0.00 0.00 57.88 59.09 1y77 h LEU 1022Cb 0.06 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 1y77 h LEU 1022CO -0.10 -0.32 0.52 0.03 -0.34 0.00 0.00 178.44 178.23 1y77 h ARG 1023N -0.46 0.00 0.16 1.25 3.08 0.34 -0.65 114.38 118.10 1y77 h ARG 1023Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1y77 h ARG 1023Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1y77 h ARG 1023CO -0.12 0.00 -0.08 1.03 -1.07 0.00 0.00 179.97 179.74 1y77 h SER 1024N 0.00 -0.18 1.48 7.04 0.87 0.24 -3.18 113.55 119.82 1y77 h SER 1024Ca 0.34 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1y77 h SER 1024Cb 1.37 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1y77 h SER 1024CO -0.00 -0.03 -0.17 0.03 -0.53 0.00 0.00 176.83 176.12 1y77 h ARG 1025N -0.32 0.00 -1.42 2.24 2.47 0.06 -3.33 114.38 114.09 1y77 h ARG 1025Ca -0.02 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 58.08 1y77 h ARG 1025Cb 0.25 0.00 -0.38 0.00 -1.65 0.00 0.00 29.97 28.18 1y77 h ARG 1025CO 0.04 0.00 -0.29 1.28 0.56 0.00 0.00 179.97 181.55 1y77 n LEU 1026N -2.49 5.50 -4.76 3.04 4.77 -0.50 -4.60 117.00 117.95 1y77 n LEU 1026Ca 0.04 -4.99 -0.38 0.00 -0.03 0.00 0.00 56.01 50.65 1y77 n LEU 1026Cb 0.47 -0.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.91 1y77 n LEU 1026CO 0.33 2.07 0.21 0.00 -1.33 0.00 0.00 177.39 178.67 1y77 s ALA 1027N -3.67 3.51 0.00 -1.18 0.00 -1.21 -4.88 121.76 114.33 1y77 s ALA 1027Ca 0.51 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.37 1y77 s ALA 1027Cb 0.42 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.89 1y77 s ALA 1027CO -0.17 0.14 0.40 2.41 0.00 0.00 0.00 175.76 178.54 1y77 n THR 1028N 2.99 0.00 -0.40 0.00 -1.04 -1.26 0.19 114.28 114.77 1y77 n THR 1028Ca -0.08 0.67 -0.10 0.00 -2.04 0.00 0.00 64.05 62.50 1y77 n THR 1028Cb 0.51 -0.94 -0.08 0.00 -1.82 0.00 0.00 70.33 68.01 1y77 n THR 1028CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1y77 h ARG 1029N 0.00 -0.02 -0.06 -2.82 2.47 -1.85 -0.66 114.38 111.44 1y77 h ARG 1029Ca 0.00 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1y77 h ARG 1029Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 1y77 h ARG 1029CO 0.00 -0.01 -0.36 -0.09 0.56 0.00 0.00 179.97 180.07 1y77 h ARG 1030N -0.02 -0.39 -0.64 0.04 2.43 -1.28 0.75 114.38 115.26 1y77 h ARG 1030Ca 0.18 0.03 0.18 0.00 -0.81 0.00 0.00 59.98 59.56 1y77 h ARG 1030Cb 0.45 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1y77 h ARG 1030CO -0.93 -0.26 0.88 0.28 -1.51 0.00 0.00 179.97 178.43 1y77 h VAL 1031N -0.41 0.11 0.00 0.20 2.07 0.12 -0.82 116.25 117.53 1y77 h VAL 1031Ca 0.02 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.43 1y77 h VAL 1031Cb 0.46 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1y77 h VAL 1031CO -0.27 0.00 -1.38 0.18 0.02 0.00 0.00 177.57 176.11 1y77 n LEU 1032N -3.28 0.14 -0.05 2.57 4.77 -0.39 -3.27 117.00 117.49 1y77 n LEU 1032Ca 0.14 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.03 1y77 n LEU 1032Cb 1.09 0.12 -0.15 0.00 -2.33 0.00 0.00 43.42 42.15 1y77 n LEU 1032CO 0.21 0.16 -0.76 1.67 -1.33 0.00 0.00 177.39 177.34 1y77 n GLN 1033N -2.23 0.65 -0.09 3.23 7.27 0.25 -4.13 117.38 122.34 1y77 n GLN 1033Ca -0.09 0.17 -0.10 0.00 0.07 0.00 0.00 57.00 57.05 1y77 n GLN 1033Cb 0.68 -1.69 -0.04 0.00 2.41 0.00 0.00 30.24 31.60 1y77 n GLN 1033CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1y77 n GLU 1034N -2.92 0.50 -3.78 3.69 1.02 -0.35 -4.76 120.64 114.03 1y77 n GLU 1034Ca -0.23 0.43 -0.34 0.00 -0.02 0.00 0.00 57.16 57.01 1y77 n GLU 1034Cb 1.08 -1.62 -0.11 0.00 -0.02 0.00 0.00 31.44 30.78 1y77 n GLU 1034CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1y77 s TYR 1035N -2.45 3.40 0.00 -0.32 -0.85 -1.15 -5.01 117.35 110.97 1y77 s TYR 1035Ca -0.22 -2.91 -0.04 0.00 -0.52 0.00 0.00 57.07 53.37 1y77 s TYR 1035Cb 0.04 -3.07 -0.05 0.00 0.38 0.00 0.00 41.96 39.26 1y77 s TYR 1035CO 0.35 -0.78 0.61 0.54 -1.52 0.00 0.00 175.55 174.75 1y77 n ARG 1036N 3.15 0.00 -2.35 -3.49 5.12 -1.26 -4.36 116.66 113.47 1y77 n ARG 1036Ca 0.09 -0.30 -0.38 0.00 -1.93 0.00 0.00 57.85 55.34 1y77 n ARG 1036Cb 0.36 -1.53 -0.02 0.00 -1.16 0.00 0.00 32.46 30.10 1y77 n ARG 1036CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1y77 s LEU 1037N 0.00 4.16 0.00 0.55 1.43 -1.20 -4.88 118.68 118.73 1y77 s LEU 1037Ca 0.08 2.27 0.00 0.00 -1.03 0.00 0.00 54.13 55.45 1y77 s LEU 1037Cb 0.02 -4.08 0.00 0.00 0.03 0.00 0.00 46.19 42.16 1y77 s LEU 1037CO 0.04 -0.66 0.00 0.35 0.23 0.00 0.00 176.35 176.31 1y77 n THR 1038N -0.02 0.00 0.05 5.49 -2.24 -1.26 -4.67 114.28 111.63 1y77 n THR 1038Ca 0.05 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.68 1y77 n THR 1038Cb 0.47 -1.45 -0.06 0.00 -2.10 0.00 0.00 70.33 67.20 1y77 n THR 1038CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1y77 h LYS 1039N 0.00 0.51 0.23 -0.78 3.64 -1.97 -2.65 116.57 115.56 1y77 h LYS 1039Ca 0.00 -0.53 -0.01 0.00 -1.27 0.00 0.00 60.65 58.84 1y77 h LYS 1039Cb 0.00 0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1y77 h LYS 1039CO 0.00 1.16 -0.17 0.37 -2.27 0.00 0.00 179.45 178.54 1y77 h GLN 1040N 0.30 -0.37 -0.98 1.90 4.15 -1.97 0.12 115.11 118.25 1y77 h GLN 1040Ca -0.09 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.47 1y77 h GLN 1040Cb 1.58 0.08 -0.14 0.00 0.21 0.00 0.00 27.48 29.22 1y77 h GLN 1040CO 0.17 -0.25 -0.51 0.00 -1.93 0.00 0.00 178.83 176.32 1y77 h ALA 1041N -1.58 -0.26 0.27 3.38 0.00 -1.93 -1.53 119.26 117.60 1y77 h ALA 1041Ca -0.03 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1y77 h ALA 1041Cb 0.32 1.22 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1y77 h ALA 1041CO 0.01 -0.83 -0.45 0.35 0.00 0.00 0.00 179.25 178.34 1y77 h PHE 1042N -0.01 -1.27 -0.02 0.00 3.57 -1.32 0.36 116.94 118.26 1y77 h PHE 1042Ca 0.23 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.76 1y77 h PHE 1042Cb 0.49 0.52 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 1y77 h PHE 1042CO -0.96 -0.55 0.40 -0.44 -2.23 0.00 0.00 178.31 174.53 1y77 h ASP 1043N -0.76 0.00 0.00 0.41 3.32 0.00 0.31 116.42 119.70 1y77 h ASP 1043Ca -0.03 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1y77 h ASP 1043Cb 0.70 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 1y77 h ASP 1043CO -0.15 0.00 -0.49 -0.25 -1.72 0.00 0.00 179.24 176.63 1y77 h TRP 1044N 0.00 0.00 -1.09 4.55 7.01 -0.38 -2.80 115.95 123.24 1y77 h TRP 1044Ca 0.01 0.00 0.33 0.00 2.11 0.00 0.00 58.89 61.34 1y77 h TRP 1044Cb 0.80 0.00 -0.13 0.00 -2.10 0.00 0.00 29.16 27.74 1y77 h TRP 1044CO 0.00 0.37 0.67 0.28 -2.79 0.00 0.00 178.44 176.97 1y77 h VAL 1045N -1.00 0.33 0.02 2.65 2.07 0.15 0.96 116.25 121.43 1y77 h VAL 1045Ca -0.07 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1y77 h VAL 1045Cb 0.58 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1y77 h VAL 1045CO -0.04 0.05 -0.01 -0.07 0.02 0.00 0.00 177.57 177.53 1y77 h LEU 1046N 0.30 -0.02 -0.06 2.57 3.38 -0.59 -2.57 115.31 118.33 1y77 h LEU 1046Ca 0.71 -0.47 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1y77 h LEU 1046Cb 1.83 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 42.52 1y77 h LEU 1046CO -0.46 0.46 -0.48 -1.28 0.09 0.00 0.00 178.44 176.77 1y77 h SER 1047N -0.51 -1.49 -0.46 -0.43 0.87 -0.57 -2.44 113.55 108.53 1y77 h SER 1047Ca -0.00 0.18 0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1y77 h SER 1047Cb 0.49 0.58 -0.09 0.00 -0.44 0.00 0.00 62.40 62.94 1y77 h SER 1047CO 0.00 -0.48 -0.48 0.78 -0.53 0.00 0.00 176.83 176.12 1y77 h ASN 1048N -0.59 -1.62 -0.40 6.23 2.35 -1.33 -1.94 115.58 118.28 1y77 h ASN 1048Ca 0.04 0.24 0.08 0.00 -0.55 0.00 0.00 56.30 56.11 1y77 h ASN 1048Cb 0.68 0.70 -0.09 0.00 0.05 0.00 0.00 38.32 39.65 1y77 h ASN 1048CO -0.37 -0.37 -0.36 0.40 -1.65 0.00 0.00 177.43 175.07 1y77 h ILE 1049N -0.32 0.19 -0.26 2.81 2.04 -1.14 0.79 117.51 121.60 1y77 h ILE 1049Ca 0.12 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.05 1y77 h ILE 1049Cb 0.58 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.77 1y77 h ILE 1049CO -0.62 0.00 -0.29 -0.08 0.00 0.00 0.00 178.15 177.17 1y77 h GLU 1050N -0.28 -0.28 -0.21 2.37 4.81 -0.90 0.71 114.58 120.80 1y77 h GLU 1050Ca 0.16 0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.24 1y77 h GLU 1050Cb 0.56 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 1y77 h GLU 1050CO -0.55 -0.18 -0.57 0.00 -0.73 0.00 0.00 179.01 176.97 1y77 h ALA 1051N 0.70 0.60 0.00 2.92 0.00 -0.78 -0.28 119.26 122.41 1y77 h ALA 1051Ca 0.14 -0.52 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 1y77 h ALA 1051Cb 0.51 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1y77 h ALA 1051CO -0.43 0.69 -0.01 0.37 0.00 0.00 0.00 179.25 179.88 1y77 h GLN 1052N 0.50 0.00 0.00 0.00 4.15 0.94 -2.33 115.11 118.38 1y77 h GLN 1052Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1y77 h GLN 1052Cb 1.14 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 1y77 h GLN 1052CO 0.11 0.01 -0.23 0.35 -1.93 0.00 0.00 178.83 177.14 1y77 h PHE 1053N 0.00 0.00 0.00 3.99 3.57 -0.49 -3.17 116.94 120.84 1y77 h PHE 1053Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1y77 h PHE 1053Cb 0.33 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1y77 h PHE 1053CO 0.00 0.44 0.09 1.28 -2.23 0.00 0.00 178.31 177.89 1y77 n LEU 1054N -4.67 0.00 -0.09 0.59 4.77 -0.15 0.11 117.00 117.57 1y77 n LEU 1054Ca -0.08 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 1y77 n LEU 1054Cb 0.25 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.05 1y77 n LEU 1054CO 0.13 -0.15 -1.09 0.54 -1.33 0.00 0.00 177.39 175.49 1y77 n ARG 1055N -1.06 0.68 0.03 3.23 1.74 -0.90 -4.27 116.66 116.11 1y77 n ARG 1055Ca 0.00 0.13 0.10 0.00 -0.77 0.00 0.00 57.85 57.31 1y77 n ARG 1055Cb 0.09 -1.58 0.44 0.00 -1.02 0.00 0.00 32.46 30.39 1y77 n ARG 1055CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1y77 n SER 1056N -3.07 0.20 -3.67 0.55 7.64 0.30 -4.81 113.62 110.77 1y77 n SER 1056Ca -0.35 0.54 -0.25 0.00 1.01 0.00 0.00 58.87 59.81 1y77 n SER 1056Cb 1.07 -0.58 0.21 0.00 -1.01 0.00 0.00 64.21 63.90 1y77 n SER 1056CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1y77 n VAL 1057N -1.71 0.00 -4.43 0.44 0.31 -1.08 -0.49 118.33 111.37 1y77 n VAL 1057Ca 0.04 -0.11 -0.34 0.00 -0.01 0.00 0.00 64.34 63.92 1y77 n VAL 1057Cb 0.26 -0.73 -0.10 0.00 -0.91 0.00 0.00 33.84 32.36 1y77 n VAL 1057CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1y77 s VAL 1058N -2.14 4.11 -0.21 2.52 1.01 0.22 -3.13 120.40 122.78 1y77 s VAL 1058Ca 0.53 -0.31 -0.29 0.00 0.00 0.00 0.00 61.98 61.90 1y77 s VAL 1058Cb -0.11 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1y77 s VAL 1058CO 0.49 0.58 1.16 -1.00 0.00 0.00 0.00 175.10 176.33 1y77 s HIS 1059N -0.62 3.07 -0.39 5.22 3.76 -1.26 -4.94 115.29 120.13 1y77 s HIS 1059Ca 0.10 1.21 -0.27 0.00 -0.15 0.00 0.00 55.06 55.95 1y77 s HIS 1059Cb -0.12 -3.43 -0.05 0.00 1.11 0.00 0.00 32.58 30.09 1y77 s HIS 1059CO 0.02 -1.12 2.22 -2.14 -0.85 0.00 0.00 174.74 172.87 1y77 s PRO 1060N 3.41 2.65 0.00 8.40 0.02 -1.26 -2.08 135.00 146.14 1y77 s PRO 1060Ca 0.50 1.55 0.00 0.00 0.02 0.00 0.00 61.00 63.06 1y77 s PRO 1060Cb -0.18 -4.45 0.00 0.00 0.02 0.00 0.00 34.50 29.89 1y77 s PRO 1060CO 0.11 -2.65 0.00 0.41 -0.33 0.00 0.00 177.00 174.54 1y77 n GLY 1061N 5.82 1.67 3.55 0.52 0.00 -1.09 -4.83 105.19 110.83 1y77 n GLY 1061Ca 0.31 -0.11 -0.57 0.00 0.00 0.00 0.00 46.02 45.65 1y77 n GLY 1061CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y77 n GLU 1062N 0.00 0.44 -2.01 1.61 -0.58 -0.88 -1.96 120.64 117.25 1y77 n GLU 1062Ca 0.00 0.16 -0.40 0.00 -0.42 0.00 0.00 57.16 56.49 1y77 n GLU 1062Cb 0.00 -1.71 -0.00 0.00 -0.57 0.00 0.00 31.44 29.15 1y77 n GLU 1062CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 1y77 n MET 1063N 2.13 4.35 -0.39 3.49 2.81 -1.26 -2.20 117.12 126.04 1y77 n MET 1063Ca 0.20 -3.39 0.34 0.00 -1.81 0.00 0.00 57.70 53.05 1y77 n MET 1063Cb 0.11 -2.70 0.68 0.00 -0.71 0.00 0.00 33.22 30.60 1y77 n MET 1063CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1y77 h VAL 1064N 2.85 0.33 0.40 2.03 2.07 -1.88 -2.85 116.25 119.21 1y77 h VAL 1064Ca 0.66 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 68.12 1y77 h VAL 1064Cb 0.36 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1y77 h VAL 1064CO 1.53 0.02 -0.44 1.23 0.02 0.00 0.00 177.57 179.93 1y77 h GLY 1065N 0.12 -1.19 0.19 2.17 0.00 -1.12 0.84 103.07 104.09 1y77 h GLY 1065Ca 0.67 0.56 0.05 0.00 0.00 0.00 0.00 47.33 48.61 1y77 h GLY 1065CO -0.17 -0.35 -0.26 -2.08 0.00 0.00 0.00 176.54 173.68 1y77 h VAL 1066N -0.84 0.37 0.00 4.60 2.07 -1.56 -1.58 116.25 119.30 1y77 h VAL 1066Ca -0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1y77 h VAL 1066Cb 0.74 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1y77 h VAL 1066CO -0.07 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 177.41 1y77 n LEU 1067N -5.38 0.00 -0.37 2.57 -0.00 -1.08 -1.23 117.00 111.51 1y77 n LEU 1067Ca -0.02 0.94 0.01 0.00 -0.00 0.00 0.00 56.01 56.94 1y77 n LEU 1067Cb 0.30 -0.44 0.07 0.00 -0.00 0.00 0.00 43.42 43.35 1y77 n LEU 1067CO 0.16 -0.44 0.59 0.00 -0.00 0.00 0.00 177.39 177.71 1y77 n ALA 1068N -2.65 -0.01 0.01 1.96 0.00 0.27 -0.47 120.51 119.61 1y77 n ALA 1068Ca 0.00 1.00 -0.07 0.00 0.00 0.00 0.00 53.44 54.38 1y77 n ALA 1068Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.91 1y77 n ALA 1068CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 h ALA 1069N 1.54 -0.65 -0.27 0.00 0.00 -0.16 -2.59 119.26 117.12 1y77 h ALA 1069Ca 0.38 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.32 1y77 h ALA 1069Cb 0.62 0.74 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1y77 h ALA 1069CO -0.98 -0.73 -0.41 1.96 0.00 0.00 0.00 179.25 179.09 1y77 h GLN 1070N -0.26 -0.38 -1.95 0.00 4.20 0.34 0.20 115.11 117.26 1y77 h GLN 1070Ca 0.01 0.03 0.57 0.00 0.06 0.00 0.00 58.65 59.31 1y77 h GLN 1070Cb 0.30 0.09 -0.08 0.00 0.30 0.00 0.00 27.48 28.09 1y77 h GLN 1070CO -0.17 -0.25 1.41 0.77 -0.67 0.00 0.00 178.83 179.91 1y77 h SER 1071N -0.39 0.00 0.00 1.46 0.02 -0.48 0.27 113.55 114.44 1y77 h SER 1071Ca 0.11 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.93 1y77 h SER 1071Cb 0.59 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 1y77 h SER 1071CO -0.48 0.00 -1.14 -0.38 -1.14 0.00 0.00 176.83 173.69 1y77 n ILE 1072N -3.94 1.48 -0.15 3.27 5.41 0.55 -4.28 119.36 121.70 1y77 n ILE 1072Ca 0.44 0.04 0.13 0.00 1.00 0.00 0.00 62.75 64.36 1y77 n ILE 1072Cb 2.00 -2.22 0.48 0.00 -0.71 0.00 0.00 39.64 39.18 1y77 n ILE 1072CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1y77 h GLY 1073N -1.00 0.73 0.02 7.39 0.00 -0.35 -2.72 103.07 107.13 1y77 h GLY 1073Ca -0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1y77 h GLY 1073CO -0.12 0.09 -0.02 -2.09 0.00 0.00 0.00 176.54 174.41 1y77 h GLU 1074N 0.47 -0.03 0.00 4.80 4.22 -0.70 -0.81 114.58 122.52 1y77 h GLU 1074Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.78 1y77 h GLU 1074Cb 0.67 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1y77 h GLU 1074CO -0.11 -0.02 0.00 -0.35 -2.18 0.00 0.00 179.01 176.35 1y77 n PRO 1075N -2.35 0.00 -0.00 0.92 -0.04 -1.17 0.19 135.00 132.55 1y77 n PRO 1075Ca -0.00 0.26 0.14 0.00 -0.04 0.00 0.00 63.50 63.86 1y77 n PRO 1075Cb 0.01 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 32.66 1y77 n PRO 1075CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1y77 n ALA 1076N -1.26 2.62 -0.06 0.55 0.00 -0.32 -3.29 120.51 118.74 1y77 n ALA 1076Ca 0.00 -0.34 -0.05 0.00 0.00 0.00 0.00 53.44 53.05 1y77 n ALA 1076Cb 0.00 -1.31 -0.12 0.00 0.00 0.00 0.00 19.45 18.03 1y77 n ALA 1076CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1y77 n THR 1077N -0.31 0.83 1.56 0.00 -1.04 0.13 -4.26 114.28 111.19 1y77 n THR 1077Ca 0.21 -0.57 0.14 0.00 -2.04 0.00 0.00 64.05 61.79 1y77 n THR 1077Cb 0.25 -0.49 0.79 0.00 -1.82 0.00 0.00 70.33 69.06 1y77 n THR 1077CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y77 n GLN 1078N -2.45 0.62 -2.23 -2.82 1.13 -1.21 -4.70 117.38 105.71 1y77 n GLN 1078Ca -0.20 0.01 -0.39 0.00 -1.94 0.00 0.00 57.00 54.48 1y77 n GLN 1078Cb 0.88 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.70 1y77 n GLN 1078CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1y77 s MET 1079N -2.34 2.84 -0.50 -1.09 -1.94 -1.22 -4.95 119.30 110.10 1y77 s MET 1079Ca 0.34 0.26 -0.07 0.00 -1.71 0.00 0.00 55.69 54.50 1y77 s MET 1079Cb 0.20 -4.35 0.13 0.00 2.01 0.00 0.00 34.83 32.82 1y77 s MET 1079CO 0.40 -2.53 0.36 0.99 -0.01 0.00 0.00 175.02 174.22 1y77 s THR 1080N 7.85 4.05 0.00 2.05 2.01 -1.26 -5.01 115.64 125.33 1y77 s THR 1080Ca 0.55 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 60.52 1y77 s THR 1080Cb -0.11 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1y77 s THR 1080CO 0.18 -0.79 0.00 0.18 -0.69 0.00 0.00 174.62 173.50 1y77 n LEU 1081N 4.60 0.00 0.00 4.42 4.77 -1.26 -5.18 117.00 124.35 1y77 n LEU 1081Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1y77 n LEU 1081Cb 0.41 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1y77 n LEU 1081CO 0.39 0.00 0.07 0.29 -1.33 0.00 0.00 177.39 176.81 1y77 n LYS 1092N 0.00 0.00 -3.64 3.23 5.02 -1.26 -4.92 118.16 116.59 1y77 n LYS 1092Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1y77 n LYS 1092Cb 0.00 -1.45 -0.11 0.00 -0.02 0.00 0.00 35.03 33.45 1y77 n LYS 1092CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1y77 n LYS 1093N -0.60 1.40 -3.92 1.97 5.02 -1.26 -5.06 118.16 115.70 1y77 n LYS 1093Ca 0.00 -4.06 -0.09 0.00 -2.02 0.00 0.00 58.31 52.14 1y77 n LYS 1093Cb 0.00 -2.03 -0.08 0.00 -0.02 0.00 0.00 35.03 32.90 1y77 n LYS 1093CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y77 s VAL 1094N -1.18 0.13 -0.04 -0.18 1.01 -1.26 -5.10 120.40 113.78 1y77 s VAL 1094Ca 0.30 -1.33 -0.30 0.00 0.00 0.00 0.00 61.98 60.65 1y77 s VAL 1094Cb 0.02 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.79 1y77 s VAL 1094CO -0.15 -0.58 2.02 0.41 0.00 0.00 0.00 175.10 176.81 1y77 n THR 1095N -0.09 0.64 -3.73 3.92 -1.04 -1.26 -4.94 114.28 107.78 1y77 n THR 1095Ca -0.12 -0.21 -0.13 0.00 -2.04 0.00 0.00 64.05 61.55 1y77 n THR 1095Cb 0.62 -2.30 -0.14 0.00 -1.82 0.00 0.00 70.33 66.69 1y77 n THR 1095CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1y77 s SER 1096N 5.33 -0.11 0.00 8.00 1.04 -1.26 -4.91 113.70 121.78 1y77 s SER 1096Ca 0.93 0.40 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1y77 s SER 1096Cb -0.46 0.30 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1y77 s SER 1096CO 0.42 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.09 1y77 n GLY 1097N 4.32 0.19 0.29 7.32 0.00 -1.26 -4.76 105.19 111.29 1y77 n GLY 1097Ca -0.24 -1.94 -0.11 0.00 0.00 0.00 0.00 46.02 43.72 1y77 n GLY 1097CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1y77 h VAL 1098N 0.00 0.40 -0.30 1.61 2.07 -1.95 0.60 116.25 118.69 1y77 h VAL 1098Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1y77 h VAL 1098Cb 0.00 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 1y77 h VAL 1098CO 0.00 0.00 0.22 1.55 0.02 0.00 0.00 177.57 179.36 1y77 h PRO 1099N -0.39 0.00 0.38 1.57 0.13 -2.00 -1.49 132.00 130.20 1y77 h PRO 1099Ca 0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 1y77 h PRO 1099Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 1y77 h PRO 1099CO -0.25 0.00 -0.18 -0.09 -0.23 0.00 0.00 178.00 177.25 1y77 h ARG 1100N 0.00 -0.49 -0.89 0.86 9.65 -1.59 -2.26 114.38 119.65 1y77 h ARG 1100Ca 0.14 0.03 0.23 0.00 -1.10 0.00 0.00 59.98 59.28 1y77 h ARG 1100Cb 0.57 0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 29.21 1y77 h ARG 1100CO -0.00 -0.18 0.61 1.25 2.80 0.00 0.00 179.97 184.44 1y77 h LEU 1101N -0.96 0.25 0.28 3.80 5.85 -0.38 0.45 115.31 124.59 1y77 h LEU 1101Ca -0.05 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1y77 h LEU 1101Cb 0.54 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1y77 h LEU 1101CO 0.09 0.09 -0.13 0.50 -0.34 0.00 0.00 178.44 178.65 1y77 h LYS 1102N 0.24 -0.36 -0.31 1.25 3.64 -1.21 -2.24 116.57 117.59 1y77 h LYS 1102Ca 0.45 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.90 1y77 h LYS 1102Cb 1.38 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 33.20 1y77 h LYS 1102CO -0.12 -0.09 -0.53 1.49 -2.27 0.00 0.00 179.45 177.93 1y77 h GLU 1103N -0.60 -0.44 -0.20 1.90 4.81 0.39 -1.75 114.58 118.68 1y77 h GLU 1103Ca -0.04 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1y77 h GLU 1103Cb 0.43 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.84 1y77 h GLU 1103CO 0.06 -0.29 -0.55 0.82 -0.73 0.00 0.00 179.01 178.32 1y77 h ILE 1104N -0.46 0.00 -0.55 2.32 2.04 -0.81 -1.20 117.51 118.86 1y77 h ILE 1104Ca 0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.04 1y77 h ILE 1104Cb 0.63 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1y77 h ILE 1104CO -0.53 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 177.92 1y77 h LEU 1105N -0.54 0.24 -0.04 1.44 3.38 -1.19 0.14 115.31 118.75 1y77 h LEU 1105Ca 0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1y77 h LEU 1105Cb 0.66 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1y77 h LEU 1105CO -0.48 0.14 0.00 0.59 0.09 0.00 0.00 178.44 178.79 1y77 n ASN 1106N -4.45 0.15 -3.51 -0.43 3.02 -0.51 -2.48 115.26 107.04 1y77 n ASN 1106Ca 0.09 0.52 -0.21 0.00 -0.03 0.00 0.00 54.58 54.95 1y77 n ASN 1106Cb 0.42 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 39.09 1y77 n ASN 1106CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1y77 n VAL 1107N -1.65 -6.62 -2.83 2.41 0.31 0.49 -4.90 118.33 105.55 1y77 n VAL 1107Ca 0.06 -0.92 -0.40 0.00 -0.01 0.00 0.00 64.34 63.08 1y77 n VAL 1107Cb 0.30 -5.00 -0.06 0.00 -0.91 0.00 0.00 33.84 28.18 1y77 n VAL 1107CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1y77 s ALA 1108N -3.49 3.37 0.01 3.52 0.00 -1.16 -4.98 121.76 119.04 1y77 s ALA 1108Ca 0.28 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 52.71 1y77 s ALA 1108Cb -0.07 -3.12 -0.29 0.00 0.00 0.00 0.00 23.12 19.65 1y77 s ALA 1108CO 0.79 0.24 0.91 -0.22 0.00 0.00 0.00 175.76 177.48 1y77 h LYS 1109N 4.14 0.30 -3.07 0.00 1.63 -1.94 -3.40 116.57 114.23 1y77 h LYS 1109Ca -0.46 -0.52 -0.79 0.00 -0.85 0.00 0.00 60.65 58.03 1y77 h LYS 1109Cb 1.20 0.19 -0.29 0.00 -0.60 0.00 0.00 32.23 32.73 1y77 h LYS 1109CO 0.67 1.19 0.59 0.27 -3.45 0.00 0.00 179.45 178.73 1y77 n ASN 1110N -3.51 5.97 -4.76 4.20 6.94 -1.26 -5.04 115.26 117.80 1y77 n ASN 1110Ca -0.16 -3.30 -0.41 0.00 -0.02 0.00 0.00 54.58 50.69 1y77 n ASN 1110Cb 1.05 -1.26 -0.04 0.00 -2.36 0.00 0.00 39.78 37.17 1y77 n ASN 1110CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1y77 s MET 1111N -2.32 4.54 0.18 -3.83 0.23 -1.26 -4.93 119.30 111.91 1y77 s MET 1111Ca 0.31 1.92 -0.17 0.00 -1.03 0.00 0.00 55.69 56.72 1y77 s MET 1111Cb 0.01 -3.17 0.13 0.00 -1.53 0.00 0.00 34.83 30.27 1y77 s MET 1111CO 0.04 0.06 1.65 0.87 -2.03 0.00 0.00 175.02 175.61 1y77 h LYS 1112N 4.00 -0.04 -5.08 3.16 1.57 -1.99 -3.37 116.57 114.83 1y77 h LYS 1112Ca -0.47 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 57.67 1y77 h LYS 1112Cb 1.22 0.01 -0.22 0.00 0.08 0.00 0.00 32.23 33.31 1y77 h LYS 1112CO 0.68 -0.02 -0.64 0.99 -0.57 0.00 0.00 179.45 179.88 1y77 s THR 1113N -6.20 4.10 -0.09 -0.16 2.01 -1.26 -4.99 115.64 109.05 1y77 s THR 1113Ca -0.14 -0.26 0.16 0.00 0.31 0.00 0.00 61.69 61.76 1y77 s THR 1113Cb 0.16 -2.87 -0.23 0.00 0.01 0.00 0.00 72.50 69.56 1y77 s THR 1113CO 0.71 0.40 0.22 -0.81 -0.69 0.00 0.00 174.62 174.45 1y77 n PRO 1114N 4.42 0.94 0.00 4.92 -0.04 -1.26 -4.90 135.00 139.08 1y77 n PRO 1114Ca -0.17 -0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 1y77 n PRO 1114Cb 0.52 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.56 1y77 n PRO 1114CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1y77 n SER 1115N -2.35 0.00 0.00 3.54 2.88 -1.26 -4.23 113.62 112.20 1y77 n SER 1115Ca -0.15 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.39 1y77 n SER 1115Cb 0.74 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 1y77 n SER 1115CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y77 n LEU 1116N 0.00 0.00 -4.67 2.46 -0.00 -1.26 -4.27 117.00 109.26 1y77 n LEU 1116Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.65 1y77 n LEU 1116Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 1y77 n LEU 1116CO 0.00 0.00 -0.20 -0.89 -0.00 0.00 0.00 177.39 176.30 1y77 s THR 1117N 0.00 5.22 -0.10 1.47 2.01 0.14 -0.28 115.64 124.09 1y77 s THR 1117Ca 0.00 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.16 1y77 s THR 1117Cb 0.00 -3.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.11 1y77 s THR 1117CO 0.00 0.40 -0.23 0.68 -0.69 0.00 0.00 174.62 174.77 1y77 s VAL 1118N 0.73 2.12 0.13 3.82 -7.23 -0.92 -0.51 120.40 118.54 1y77 s VAL 1118Ca 0.07 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1y77 s VAL 1118Cb -0.13 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 1y77 s VAL 1118CO 0.02 0.56 0.28 -0.31 -0.31 0.00 0.00 175.10 175.33 1y77 s TYR 1119N 0.35 3.49 0.00 2.82 1.51 -1.26 -2.71 117.35 121.55 1y77 s TYR 1119Ca -0.18 0.19 0.00 0.00 -1.01 0.00 0.00 57.07 56.07 1y77 s TYR 1119Cb -0.18 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 39.95 1y77 s TYR 1119CO 0.09 0.52 0.00 1.28 -1.11 0.00 0.00 175.55 176.33 1y77 n LEU 1120N -0.30 0.00 -4.79 -1.29 4.32 -1.26 0.15 117.00 113.83 1y77 n LEU 1120Ca -0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 56.01 55.62 1y77 n LEU 1120Cb 0.53 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 42.27 1y77 n LEU 1120CO 0.50 -0.45 -0.25 -0.70 -1.22 0.00 0.00 177.39 175.27 1y77 s GLU 1121N 0.00 2.95 0.00 3.23 2.12 -0.70 0.66 118.70 126.97 1y77 s GLU 1121Ca 0.00 -0.65 0.00 0.00 0.36 0.00 0.00 54.97 54.68 1y77 s GLU 1121Cb 0.00 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.62 1y77 s GLU 1121CO 0.00 0.58 0.00 -2.30 -0.54 0.00 0.00 175.26 173.00 1y77 n PRO 1122N 0.48 0.00 -0.30 4.30 -0.02 -1.26 -1.97 135.00 136.23 1y77 n PRO 1122Ca -0.08 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.35 1y77 n PRO 1122Cb 0.52 0.00 0.07 0.00 -0.02 0.00 0.00 33.50 34.07 1y77 n PRO 1122CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1y77 h GLY 1123N 0.00 1.19 -7.40 -1.23 0.00 -2.02 -3.40 103.07 90.22 1y77 h GLY 1123Ca 0.00 -0.49 -0.51 0.00 0.00 0.00 0.00 47.33 46.32 1y77 h GLY 1123CO 0.00 0.48 1.30 0.30 0.00 0.00 0.00 176.54 178.62 1y77 s HIS 1124N -5.98 1.79 0.00 5.60 3.76 -0.83 -4.67 115.29 114.95 1y77 s HIS 1124Ca -0.13 0.66 0.00 0.00 -0.15 0.00 0.00 55.06 55.44 1y77 s HIS 1124Cb 0.16 -4.18 0.00 0.00 1.11 0.00 0.00 32.58 29.67 1y77 s HIS 1124CO 0.80 -2.30 0.00 0.00 -0.85 0.00 0.00 174.74 172.39 1y77 n ALA 1125N 11.96 2.28 0.00 -1.40 0.00 -1.26 -3.73 120.51 128.37 1y77 n ALA 1125Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1y77 n ALA 1125Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1y77 n ALA 1125CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1y77 n ALA 1126N -1.42 0.98 -1.86 0.00 0.00 -1.26 -3.87 120.51 113.07 1y77 n ALA 1126Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1y77 n ALA 1126Cb 0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 19.45 18.48 1y77 n ALA 1126CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1y77 s ASP 1127N -2.67 4.37 0.16 0.00 1.01 -1.26 -4.83 116.67 113.44 1y77 s ASP 1127Ca 0.00 -1.19 -0.22 0.00 0.71 0.00 0.00 52.55 51.85 1y77 s ASP 1127Cb 0.00 -2.59 0.04 0.00 1.01 0.00 0.00 42.92 41.38 1y77 s ASP 1127CO 0.00 -3.73 1.31 1.67 0.21 0.00 0.00 175.17 174.63 1y77 n GLN 1128N 8.34 -0.31 -0.09 8.23 -0.06 -1.26 -0.87 117.38 131.36 1y77 n GLN 1128Ca 0.43 1.29 -0.10 0.00 -2.00 0.00 0.00 57.00 56.62 1y77 n GLN 1128Cb 0.46 -1.90 -0.03 0.00 -4.06 0.00 0.00 30.24 24.72 1y77 n GLN 1128CO 0.00 0.00 0.00 1.49 -0.20 0.00 0.00 177.06 178.35 1y77 h GLU 1129N 0.00 0.42 -1.48 3.69 4.81 -1.96 -2.62 114.58 117.45 1y77 h GLU 1129Ca 0.19 -0.07 0.48 0.00 -0.13 0.00 0.00 59.36 59.83 1y77 h GLU 1129Cb 0.40 -0.07 -0.11 0.00 0.63 0.00 0.00 28.75 29.60 1y77 h GLU 1129CO -0.81 0.42 1.00 0.94 -0.73 0.00 0.00 179.01 179.83 1y77 n GLN 1130N -4.77 -0.02 0.25 1.92 -0.06 -0.05 -0.20 117.38 114.45 1y77 n GLN 1130Ca -0.02 1.11 -0.10 0.00 -2.00 0.00 0.00 57.00 55.99 1y77 n GLN 1130Cb 0.11 -2.31 -0.05 0.00 -4.06 0.00 0.00 30.24 23.93 1y77 n GLN 1130CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1y77 h ALA 1131N 1.29 -1.03 -0.51 1.69 0.00 -1.33 -3.27 119.26 116.10 1y77 h ALA 1131Ca 0.84 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.66 1y77 h ALA 1131Cb 2.96 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 20.94 1y77 h ALA 1131CO -0.28 -0.98 -0.30 1.63 0.00 0.00 0.00 179.25 179.31 1y77 n LYS 1132N -3.95 -0.23 -0.24 0.00 5.02 0.72 0.41 118.16 119.89 1y77 n LYS 1132Ca -0.08 1.20 0.26 0.00 -2.02 0.00 0.00 58.31 57.67 1y77 n LYS 1132Cb 0.25 -1.78 0.41 0.00 -0.02 0.00 0.00 35.03 33.89 1y77 n LYS 1132CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1y77 n LEU 1133N -4.16 0.00 -0.10 -0.35 4.77 -1.10 0.18 117.00 116.24 1y77 n LEU 1133Ca 0.01 0.66 -0.17 0.00 -0.03 0.00 0.00 56.01 56.48 1y77 n LEU 1133Cb 0.13 -0.24 -0.13 0.00 -2.33 0.00 0.00 43.42 40.85 1y77 n LEU 1133CO -0.08 -0.66 -1.21 -0.38 -1.33 0.00 0.00 177.39 173.73 1y77 n ILE 1134N -3.01 1.53 -0.03 -0.08 5.41 0.16 -4.12 119.36 119.22 1y77 n ILE 1134Ca 0.22 -0.64 -0.09 0.00 1.00 0.00 0.00 62.75 63.24 1y77 n ILE 1134Cb 1.34 -1.31 -0.06 0.00 -0.71 0.00 0.00 39.64 38.89 1y77 n ILE 1134CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 1y77 h ARG 1135N 0.01 -0.31 -0.24 0.38 2.43 0.32 0.27 114.38 117.24 1y77 h ARG 1135Ca -0.54 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1y77 h ARG 1135Cb 1.98 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 31.60 1y77 h ARG 1135CO -0.04 -0.21 0.00 -1.13 -1.51 0.00 0.00 179.97 177.08 1y77 n SER 1136N -4.32 0.24 -0.00 -3.80 3.41 -0.92 -1.45 113.62 106.78 1y77 n SER 1136Ca -0.03 -0.87 0.05 0.00 -0.26 0.00 0.00 58.87 57.76 1y77 n SER 1136Cb 0.22 -0.12 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 1y77 n SER 1136CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y77 n ALA 1137N -0.07 3.02 -0.01 7.33 0.00 0.94 -4.69 120.51 127.04 1y77 n ALA 1137Ca 0.00 -0.28 -0.04 0.00 0.00 0.00 0.00 53.44 53.12 1y77 n ALA 1137Cb 0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 19.45 19.13 1y77 n ALA 1137CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1y77 n ILE 1138N -1.46 1.33 -1.03 0.00 5.41 -0.53 -4.35 119.36 118.72 1y77 n ILE 1138Ca 0.01 0.30 -0.40 0.00 1.00 0.00 0.00 62.75 63.66 1y77 n ILE 1138Cb 0.20 -1.90 -0.05 0.00 -0.71 0.00 0.00 39.64 37.19 1y77 n ILE 1138CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1y77 n GLU 1139N -3.88 0.00 -2.76 0.38 2.13 -0.98 0.28 120.64 115.81 1y77 n GLU 1139Ca -0.06 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.34 1y77 n GLU 1139Cb 0.21 -0.97 -0.03 0.00 0.27 0.00 0.00 31.44 30.92 1y77 n GLU 1139CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1y77 s HIS 1140N -0.15 3.51 -0.05 4.31 5.65 -0.92 -3.41 115.29 124.24 1y77 s HIS 1140Ca 0.60 1.50 0.01 0.00 0.25 0.00 0.00 55.06 57.42 1y77 s HIS 1140Cb -0.84 -3.12 0.02 0.00 -1.18 0.00 0.00 32.58 27.47 1y77 s HIS 1140CO 0.40 -0.19 -0.03 0.99 -0.65 0.00 0.00 174.74 175.25 1y77 s THR 1141N 1.87 0.50 0.09 0.89 2.01 -1.16 -4.92 115.64 114.93 1y77 s THR 1141Ca 0.46 -0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.47 1y77 s THR 1141Cb -0.18 -0.55 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1y77 s THR 1141CO 0.18 0.23 -0.18 0.42 -0.69 0.00 0.00 174.62 174.58 1y77 s THR 1142N 1.13 2.83 0.31 -0.82 -4.23 -1.26 -1.02 115.64 112.58 1y77 s THR 1142Ca -0.08 -1.39 0.08 0.00 -1.18 0.00 0.00 61.69 59.12 1y77 s THR 1142Cb -0.14 -2.26 0.31 0.00 1.34 0.00 0.00 72.50 71.75 1y77 s THR 1142CO -0.01 0.18 1.68 0.25 -0.54 0.00 0.00 174.62 176.18 1y77 h LEU 1143N 4.01 0.37 -1.76 4.79 5.85 -1.83 0.41 115.31 127.15 1y77 h LEU 1143Ca -0.49 0.18 0.38 0.00 0.84 0.00 0.00 57.88 58.79 1y77 h LEU 1143Cb 1.16 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 1y77 h LEU 1143CO 0.47 -0.07 0.91 0.50 -0.34 0.00 0.00 178.44 179.90 1y77 h LYS 1144N 0.35 0.09 -0.11 1.25 3.64 -1.83 0.10 116.57 120.07 1y77 h LYS 1144Ca 0.64 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.83 1y77 h LYS 1144Cb 1.34 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1y77 h LYS 1144CO -0.58 0.06 -0.70 0.66 -2.27 0.00 0.00 179.45 176.62 1y77 h SER 1145N 0.10 0.57 0.05 4.20 4.64 -0.51 -3.26 113.55 119.34 1y77 h SER 1145Ca 0.68 -0.36 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1y77 h SER 1145Cb 2.42 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 64.34 1y77 h SER 1145CO -0.14 1.11 -0.33 1.33 -0.87 0.00 0.00 176.83 177.93 1y77 n VAL 1146N -3.87 0.00 -3.08 0.95 0.24 0.20 -4.93 118.33 107.83 1y77 n VAL 1146Ca -0.05 -0.25 -0.39 0.00 -2.04 0.00 0.00 64.34 61.61 1y77 n VAL 1146Cb 0.69 0.99 -0.05 0.00 -1.47 0.00 0.00 33.84 34.00 1y77 n VAL 1146CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1y77 s THR 1147N -2.40 4.87 -0.19 3.34 2.01 -0.25 -0.05 115.64 122.97 1y77 s THR 1147Ca 0.23 1.44 -0.06 0.00 0.31 0.00 0.00 61.69 63.60 1y77 s THR 1147Cb 0.19 -4.03 -0.21 0.00 0.01 0.00 0.00 72.50 68.46 1y77 s THR 1147CO 0.51 0.36 0.07 -0.38 -0.69 0.00 0.00 174.62 174.49 1y77 n ILE 1148N 3.00 1.63 -3.58 1.82 5.41 0.95 -4.83 119.36 123.77 1y77 n ILE 1148Ca -0.04 -0.52 -0.12 0.00 1.00 0.00 0.00 62.75 63.07 1y77 n ILE 1148Cb 0.51 -1.68 -0.06 0.00 -0.71 0.00 0.00 39.64 37.70 1y77 n ILE 1148CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y77 s ALA 1149N -2.52 -1.91 0.19 -1.39 0.00 -1.12 -5.01 121.76 110.01 1y77 s ALA 1149Ca -0.29 1.58 0.09 0.00 0.00 0.00 0.00 51.96 53.35 1y77 s ALA 1149Cb 0.08 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1y77 s ALA 1149CO 0.66 -0.31 -0.12 -1.54 0.00 0.00 0.00 175.76 174.45 1y77 s SER 1150N -0.93 4.12 0.00 0.00 1.04 -1.26 -1.43 113.70 115.24 1y77 s SER 1150Ca -0.03 -0.64 -0.15 0.00 0.48 0.00 0.00 55.95 55.61 1y77 s SER 1150Cb -0.01 -0.64 0.02 0.00 0.10 0.00 0.00 66.02 65.49 1y77 s SER 1150CO 0.02 0.10 0.33 -1.61 0.98 0.00 0.00 173.24 173.06 1y77 s GLU 1151N -2.85 0.73 -0.34 4.02 2.02 0.30 -4.97 118.70 117.61 1y77 s GLU 1151Ca 0.25 -0.26 0.03 0.00 0.02 0.00 0.00 54.97 55.00 1y77 s GLU 1151Cb -0.08 0.32 0.10 0.00 0.10 0.00 0.00 34.13 34.57 1y77 s GLU 1151CO 0.14 -0.21 0.07 0.42 0.02 0.00 0.00 175.26 175.70 1y77 s ILE 1152N -1.69 1.94 0.67 -1.63 1.01 -1.26 0.52 121.20 120.76 1y77 s ILE 1152Ca -0.11 -2.16 -0.01 0.00 0.00 0.00 0.00 60.65 58.37 1y77 s ILE 1152Cb -0.04 -2.43 0.09 0.00 0.01 0.00 0.00 42.46 40.09 1y77 s ILE 1152CO 0.02 -0.63 0.94 -0.31 0.00 0.00 0.00 174.94 174.96 1y77 s TYR 1153N 1.02 2.16 -0.49 3.97 1.51 -0.73 -4.92 117.35 119.87 1y77 s TYR 1153Ca 0.11 -0.08 -0.01 0.00 -1.01 0.00 0.00 57.07 56.08 1y77 s TYR 1153Cb -0.19 -2.98 0.13 0.00 -0.11 0.00 0.00 41.96 38.81 1y77 s TYR 1153CO -0.12 -1.44 0.27 -0.47 -1.11 0.00 0.00 175.55 172.68 1y77 s TYR 1154N -3.06 3.50 -0.29 2.71 5.04 -1.26 -2.04 117.35 121.94 1y77 s TYR 1154Ca 0.63 -2.68 0.00 0.00 -2.44 0.00 0.00 57.07 52.58 1y77 s TYR 1154Cb -0.08 -3.13 0.09 0.00 0.35 0.00 0.00 41.96 39.19 1y77 s TYR 1154CO 0.43 -0.90 0.06 0.34 -1.34 0.00 0.00 175.55 174.14 1y77 s ASP 1155N 1.09 4.05 0.27 4.32 -1.08 -0.86 -4.85 116.67 119.59 1y77 s ASP 1155Ca 0.12 -1.60 0.23 0.00 -0.52 0.00 0.00 52.55 50.78 1y77 s ASP 1155Cb -0.22 -1.03 0.18 0.00 -1.46 0.00 0.00 42.92 40.39 1y77 s ASP 1155CO -0.04 -0.37 1.28 1.55 0.52 0.00 0.00 175.17 178.11 1y77 h PRO 1156N 7.99 0.00 -4.55 4.34 0.13 -1.90 -3.39 132.00 134.62 1y77 h PRO 1156Ca -0.13 0.00 -0.73 0.00 -0.87 0.00 0.00 66.00 64.28 1y77 h PRO 1156Cb 1.03 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.95 1y77 h PRO 1156CO 0.46 0.00 0.42 0.34 -0.23 0.00 0.00 178.00 178.99 1y77 s ASP 1157N -5.47 6.57 0.00 1.44 2.15 -1.26 -4.75 116.67 115.34 1y77 s ASP 1157Ca 0.03 -2.11 0.00 0.00 0.43 0.00 0.00 52.55 50.90 1y77 s ASP 1157Cb 0.09 -2.31 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1y77 s ASP 1157CO 0.74 -0.91 0.00 -0.81 -0.17 0.00 0.00 175.17 174.01 1y77 n PRO 1158N 5.64 0.00 0.00 4.34 -0.04 -1.26 -0.63 135.00 143.05 1y77 n PRO 1158Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1y77 n PRO 1158Cb 0.47 -1.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.93 1y77 n PRO 1158CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1y77 n ARG 1159N -0.45 -0.29 -3.61 0.54 1.74 -1.26 -5.01 116.66 108.32 1y77 n ARG 1159Ca 0.00 -0.65 -0.01 0.00 -0.77 0.00 0.00 57.85 56.42 1y77 n ARG 1159Cb 0.00 -0.98 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 1y77 n ARG 1159CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1y77 s SER 1160N -0.17 -0.41 0.01 0.55 1.04 0.20 -4.95 113.70 109.97 1y77 s SER 1160Ca 0.00 0.64 -0.09 0.00 0.48 0.00 0.00 55.95 56.98 1y77 s SER 1160Cb 0.00 1.22 -0.05 0.00 0.10 0.00 0.00 66.02 67.29 1y77 s SER 1160CO 0.00 -0.10 0.32 -0.89 0.98 0.00 0.00 173.24 173.55 1y77 s THR 1161N 1.42 5.21 -2.00 2.02 2.01 -1.26 -4.39 115.64 118.65 1y77 s THR 1161Ca -0.08 0.40 0.11 0.00 0.31 0.00 0.00 61.69 62.44 1y77 s THR 1161Cb -0.04 -3.60 0.33 0.00 0.01 0.00 0.00 72.50 69.20 1y77 s THR 1161CO -0.14 0.42 1.11 0.52 -0.69 0.00 0.00 174.62 175.84 1y77 n VAL 1162N 1.31 0.00 -4.50 3.82 0.31 -1.26 -4.58 118.33 113.42 1y77 n VAL 1162Ca -0.12 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.88 1y77 n VAL 1162Cb 0.53 -0.71 -0.12 0.00 -0.91 0.00 0.00 33.84 32.63 1y77 n VAL 1162CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1y77 s ILE 1163N -2.00 3.74 0.00 2.52 1.01 -1.26 -5.06 121.20 120.15 1y77 s ILE 1163Ca 0.17 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.40 1y77 s ILE 1163Cb 0.08 -2.61 0.00 0.00 0.01 0.00 0.00 42.46 39.94 1y77 s ILE 1163CO 0.13 0.52 0.74 -0.81 0.00 0.00 0.00 174.94 175.52 1y77 n PRO 1164N 3.28 0.00 0.26 2.79 -0.04 -1.26 -3.07 135.00 136.95 1y77 n PRO 1164Ca -0.18 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1y77 n PRO 1164Cb 0.53 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 1y77 n PRO 1164CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1y77 n GLU 1165N -1.28 0.02 0.01 0.54 1.02 -1.26 0.85 120.64 120.54 1y77 n GLU 1165Ca 0.00 0.73 0.11 0.00 -0.02 0.00 0.00 57.16 57.98 1y77 n GLU 1165Cb 0.00 -2.18 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 1y77 n GLU 1165CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1y77 n ASP 1166N -2.09 0.66 -0.19 1.62 9.92 -1.17 -4.51 116.55 120.78 1y77 n ASP 1166Ca 0.00 -0.43 -0.02 0.00 -0.53 0.00 0.00 54.79 53.81 1y77 n ASP 1166Cb 0.82 0.86 0.04 0.00 -0.64 0.00 0.00 41.12 42.21 1y77 n ASP 1166CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 1y77 h GLU 1167N 0.00 -0.04 -0.50 -1.24 5.08 0.42 -2.14 114.58 116.15 1y77 h GLU 1167Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 59.36 58.51 1y77 h GLU 1167Cb 0.65 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1y77 h GLU 1167CO 0.00 -0.03 0.36 1.49 -1.00 0.00 0.00 179.01 179.83 1y77 h GLU 1168N -0.05 0.00 0.00 2.33 4.81 -1.79 -2.84 114.58 117.05 1y77 h GLU 1168Ca 0.27 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1y77 h GLU 1168Cb 0.46 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1y77 h GLU 1168CO -0.62 0.00 -0.01 0.82 -0.73 0.00 0.00 179.01 178.48 1y77 h ILE 1169N 0.00 0.02 0.00 2.32 2.04 -1.68 -3.28 117.51 116.92 1y77 h ILE 1169Ca 0.24 -0.65 -0.09 0.00 1.00 0.00 0.00 64.86 65.36 1y77 h ILE 1169Cb 0.95 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 1y77 h ILE 1169CO -0.00 0.01 -0.61 0.40 0.00 0.00 0.00 178.15 177.95 1y77 h ILE 1170N 0.00 0.75 -1.06 -0.67 2.04 -1.63 -3.34 117.51 113.60 1y77 h ILE 1170Ca -0.00 -1.75 0.28 0.00 1.00 0.00 0.00 64.86 64.39 1y77 h ILE 1170Cb 0.64 1.60 -0.10 0.00 -0.74 0.00 0.00 36.82 38.23 1y77 h ILE 1170CO 0.00 0.25 0.69 1.56 0.00 0.00 0.00 178.15 180.65 1y77 h GLN 1171N -1.00 0.35 0.00 2.37 4.20 -1.69 0.39 115.11 119.73 1y77 h GLN 1171Ca -0.13 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.55 1y77 h GLN 1171Cb 0.85 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1y77 h GLN 1171CO -0.08 0.23 0.00 1.28 -0.67 0.00 0.00 178.83 179.59 1y77 n LEU 1172N -4.62 0.00 -3.13 1.46 4.77 -1.24 -4.03 117.00 110.21 1y77 n LEU 1172Ca 0.26 0.36 -0.35 0.00 -0.03 0.00 0.00 56.01 56.25 1y77 n LEU 1172Cb 0.93 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1y77 n LEU 1172CO 0.25 -0.02 0.98 1.57 -1.33 0.00 0.00 177.39 178.84 1y77 n HIS 1173N -1.36 3.22 0.00 -1.77 -0.00 0.14 -4.10 115.22 111.34 1y77 n HIS 1173Ca 0.11 -2.92 0.00 0.00 0.46 0.00 0.00 57.72 55.37 1y77 n HIS 1173Cb 0.26 -0.86 0.00 0.00 -0.12 0.00 0.00 29.99 29.27 1y77 n HIS 1173CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1y77 n PHE 1174N -0.28 0.00 -3.10 1.57 3.01 -1.26 -5.05 117.46 112.35 1y77 n PHE 1174Ca 0.44 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.70 1y77 n PHE 1174Cb 0.34 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 39.86 1y77 n PHE 1174CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1y77 s SER 1175N -0.17 5.20 -1.53 4.37 1.04 -1.26 -5.22 113.70 116.13 1y77 s SER 1175Ca 0.00 -0.77 -0.12 0.00 0.48 0.00 0.00 55.95 55.54 1y77 s SER 1175Cb 0.00 0.06 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1y77 s SER 1175CO 0.00 -1.17 2.57 0.18 0.98 0.00 0.00 173.24 175.80 1y77 n LEU 1176N -2.10 7.79 0.00 2.42 4.77 -1.26 -5.11 117.00 123.51 1y77 n LEU 1176Ca 0.12 -4.28 0.00 0.00 -0.03 0.00 0.00 56.01 51.83 1y77 n LEU 1176Cb 0.61 -1.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.10 1y77 n LEU 1176CO 0.40 1.59 0.00 0.00 -1.33 0.00 0.00 177.39 178.05 1y77 n GLN 1187N 4.76 0.00 -2.52 3.23 10.64 -1.26 -5.25 117.38 126.99 1y77 n GLN 1187Ca 0.65 0.00 -0.27 0.00 -1.83 0.00 0.00 57.00 55.55 1y77 n GLN 1187Cb 0.31 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.71 1y77 n GLN 1187CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.06 174.58 1y77 s GLN 1188N 0.00 3.25 0.20 2.61 -0.21 -1.26 -4.73 119.66 119.52 1y77 s GLN 1188Ca 0.00 0.10 -0.06 0.00 0.02 0.00 0.00 55.36 55.42 1y77 s GLN 1188Cb 0.00 -2.33 -0.06 0.00 1.00 0.00 0.00 33.01 31.62 1y77 s GLN 1188CO 0.00 -0.44 0.46 0.45 -2.12 0.00 0.00 175.29 173.64 1y77 s SER 1189N -4.20 6.52 0.00 5.90 0.15 -1.26 -5.00 113.70 115.81 1y77 s SER 1189Ca 0.51 0.70 0.29 0.00 0.70 0.00 0.00 55.95 58.14 1y77 s SER 1189Cb -0.10 -2.13 1.21 0.00 -1.71 0.00 0.00 66.02 63.28 1y77 s SER 1189CO 0.45 -0.03 1.87 -0.81 1.20 0.00 0.00 173.24 175.91 1y77 n PRO 1190N -0.20 0.38 -2.64 5.44 -0.04 -1.26 -4.69 135.00 131.99 1y77 n PRO 1190Ca -0.02 -0.10 -0.43 0.00 -0.04 0.00 0.00 63.50 62.92 1y77 n PRO 1190Cb 0.52 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.46 1y77 n PRO 1190CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1y77 s TRP 1191N -2.68 2.81 0.17 0.54 0.23 -1.26 -2.04 118.94 116.70 1y77 s TRP 1191Ca 0.23 0.62 -0.10 0.00 -2.03 0.00 0.00 56.10 54.82 1y77 s TRP 1191Cb 0.20 -4.38 -0.07 0.00 0.03 0.00 0.00 33.47 29.25 1y77 s TRP 1191CO 0.51 -1.29 0.50 -1.17 0.96 0.00 0.00 176.95 176.46 1y77 s LEU 1192N 4.40 4.25 -0.10 2.99 2.96 -0.87 -4.38 118.68 127.94 1y77 s LEU 1192Ca 0.46 0.88 0.01 0.00 -0.22 0.00 0.00 54.13 55.26 1y77 s LEU 1192Cb -0.08 -3.40 0.02 0.00 0.50 0.00 0.00 46.19 43.23 1y77 s LEU 1192CO 0.30 0.03 -0.11 -0.22 -1.32 0.00 0.00 176.35 175.04 1y77 s LEU 1193N -2.43 1.45 -0.08 -0.68 2.96 -1.00 -1.78 118.68 117.11 1y77 s LEU 1193Ca 0.42 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 54.02 1y77 s LEU 1193Cb -0.13 -0.89 0.01 0.00 0.50 0.00 0.00 46.19 45.69 1y77 s LEU 1193CO 0.21 -0.05 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.46 1y77 s ARG 1194N 1.24 1.91 -0.17 1.98 3.52 0.18 -3.00 118.95 124.62 1y77 s ARG 1194Ca -0.03 -0.47 -0.01 0.00 -0.13 0.00 0.00 55.73 55.09 1y77 s ARG 1194Cb -0.14 -1.61 -0.00 0.00 -1.56 0.00 0.00 34.95 31.63 1y77 s ARG 1194CO -0.04 -0.02 -0.13 -0.51 -0.81 0.00 0.00 175.30 173.80 1y77 s LEU 1195N 0.84 2.59 -0.41 -0.88 1.43 -0.93 -0.54 118.68 120.78 1y77 s LEU 1195Ca -0.11 -0.45 -0.14 0.00 -1.03 0.00 0.00 54.13 52.41 1y77 s LEU 1195Cb -0.15 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.49 1y77 s LEU 1195CO 0.01 0.06 0.29 -0.70 0.23 0.00 0.00 176.35 176.24 1y77 s GLU 1196N 0.97 2.91 0.47 1.70 2.12 -0.51 -2.04 118.70 124.32 1y77 s GLU 1196Ca -0.02 -1.11 -0.04 0.00 0.36 0.00 0.00 54.97 54.16 1y77 s GLU 1196Cb -0.15 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.29 1y77 s GLU 1196CO -0.02 -0.79 0.75 -0.51 -0.54 0.00 0.00 175.26 174.15 1y77 s LEU 1197N 1.62 3.63 -0.21 2.70 1.43 -1.10 -0.03 118.68 126.72 1y77 s LEU 1197Ca 0.04 0.75 -0.15 0.00 -1.03 0.00 0.00 54.13 53.75 1y77 s LEU 1197Cb -0.20 -3.67 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1y77 s LEU 1197CO 0.08 -0.62 0.35 -0.62 0.23 0.00 0.00 176.35 175.77 1y77 s ASP 1198N -4.14 6.36 0.08 2.29 -1.08 0.93 -4.60 116.67 116.52 1y77 s ASP 1198Ca 0.47 0.42 -0.32 0.00 -0.52 0.00 0.00 52.55 52.60 1y77 s ASP 1198Cb -0.10 -2.20 -0.17 0.00 -1.46 0.00 0.00 42.92 38.99 1y77 s ASP 1198CO 0.43 -0.06 1.62 -0.09 0.52 0.00 0.00 175.17 177.59 1y77 h ARG 1199N 7.46 -0.82 -0.24 4.34 2.43 -1.98 -1.67 114.38 123.90 1y77 h ARG 1199Ca -0.36 0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.89 1y77 h ARG 1199Cb 1.16 0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.86 1y77 h ARG 1199CO 0.70 -0.55 -0.23 0.00 -1.51 0.00 0.00 179.97 178.38 1y77 h ALA 1200N -0.47 -0.42 -0.12 2.80 0.00 -1.98 0.39 119.26 119.46 1y77 h ALA 1200Ca -0.06 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.89 1y77 h ALA 1200Cb 0.70 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 1y77 h ALA 1200CO 0.06 -0.54 0.39 0.00 0.00 0.00 0.00 179.25 179.16 1y77 h ALA 1201N -0.67 1.58 0.00 0.00 0.00 -1.92 0.39 119.26 118.64 1y77 h ALA 1201Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1y77 h ALA 1201Cb 0.22 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1y77 h ALA 1201CO -0.28 -0.45 -0.02 -1.33 0.00 0.00 0.00 179.25 177.16 1y77 n MET 1202N -3.10 0.11 -0.11 0.00 2.00 0.13 -3.51 117.12 112.64 1y77 n MET 1202Ca 0.01 0.09 -0.14 0.00 0.00 0.00 0.00 57.70 57.66 1y77 n MET 1202Cb 0.47 -1.63 -0.12 0.00 0.00 0.00 0.00 33.22 31.95 1y77 n MET 1202CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1y77 n ASN 1203N -1.82 1.64 -0.06 7.83 3.02 0.13 -2.53 115.26 123.48 1y77 n ASN 1203Ca 0.06 -0.09 -0.10 0.00 -0.03 0.00 0.00 54.58 54.42 1y77 n ASN 1203Cb 0.38 0.05 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 1y77 n ASN 1203CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 1y77 h ASP 1204N 0.00 -1.25 -3.49 6.41 1.82 -1.47 -3.27 116.42 115.18 1y77 h ASP 1204Ca -0.51 0.18 -0.71 0.00 -0.39 0.00 0.00 57.03 55.60 1y77 h ASP 1204Cb 1.91 0.54 -0.29 0.00 0.68 0.00 0.00 39.33 42.17 1y77 h ASP 1204CO -0.05 -0.38 -0.50 -0.54 -1.61 0.00 0.00 179.24 176.16 1y77 s LYS 1205N -5.92 2.52 -0.32 0.28 1.02 -1.23 -5.03 119.74 111.06 1y77 s LYS 1205Ca -0.15 -1.48 -0.30 0.00 0.02 0.00 0.00 55.97 54.06 1y77 s LYS 1205Cb 0.11 -3.70 -0.13 0.00 -0.52 0.00 0.00 37.83 33.59 1y77 s LYS 1205CO 0.66 -0.93 1.05 -0.25 -0.92 0.00 0.00 175.35 174.96 1y77 n ASP 1206N 4.85 0.76 -3.63 2.83 8.00 -1.23 -4.73 116.55 123.39 1y77 n ASP 1206Ca -0.09 0.75 -0.16 0.00 0.71 0.00 0.00 54.79 56.00 1y77 n ASP 1206Cb 0.43 -0.57 -0.07 0.00 -0.02 0.00 0.00 41.12 40.89 1y77 n ASP 1206CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1y77 s LEU 1207N 2.04 0.04 -0.01 0.64 1.43 -1.05 -5.02 118.68 116.75 1y77 s LEU 1207Ca 0.68 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 54.24 1y77 s LEU 1207Cb -0.97 1.95 0.00 0.00 0.03 0.00 0.00 46.19 47.20 1y77 s LEU 1207CO 0.52 -0.52 -0.03 -0.89 0.23 0.00 0.00 176.35 175.66 1y77 s THR 1208N -1.21 0.28 0.27 5.49 2.01 -1.26 -4.84 115.64 116.38 1y77 s THR 1208Ca -0.12 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1y77 s THR 1208Cb -0.02 -0.27 0.35 0.00 0.01 0.00 0.00 72.50 72.57 1y77 s THR 1208CO 0.07 0.10 1.60 0.24 -0.69 0.00 0.00 174.62 175.94 1y77 h MET 1209N 6.28 0.05 -0.65 4.92 0.00 -1.98 -0.14 114.93 123.40 1y77 h MET 1209Ca -0.30 -0.00 0.06 0.00 0.00 0.00 0.00 59.70 59.46 1y77 h MET 1209Cb 1.19 -0.01 -0.08 0.00 0.00 0.00 0.00 31.60 32.70 1y77 h MET 1209CO 0.50 0.03 -0.39 0.78 0.00 0.00 0.00 176.91 177.83 1y77 h GLY 1210N 0.05 -1.50 0.11 8.32 0.00 -1.96 0.16 103.07 108.25 1y77 h GLY 1210Ca 0.47 0.93 0.01 0.00 0.00 0.00 0.00 47.33 48.74 1y77 h GLY 1210CO -0.81 -0.33 -0.51 1.46 0.00 0.00 0.00 176.54 176.35 1y77 h GLN 1211N -0.01 -0.69 0.00 4.80 4.20 -1.46 0.27 115.11 122.22 1y77 h GLN 1211Ca 0.10 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1y77 h GLN 1211Cb 0.27 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1y77 h GLN 1211CO -0.61 -0.46 0.00 0.28 -0.67 0.00 0.00 178.83 177.37 1y77 n VAL 1212N -5.33 0.00 0.02 -0.54 0.31 -0.33 -0.77 118.33 111.68 1y77 n VAL 1212Ca -0.08 1.18 -0.13 0.00 -0.01 0.00 0.00 64.34 65.29 1y77 n VAL 1212Cb 0.39 -1.67 -0.07 0.00 -0.91 0.00 0.00 33.84 31.58 1y77 n VAL 1212CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1y77 h GLY 1213N 0.00 -0.83 -1.08 2.92 0.00 -0.72 -0.01 103.07 103.34 1y77 h GLY 1213Ca 0.00 0.56 0.42 0.00 0.00 0.00 0.00 47.33 48.31 1y77 h GLY 1213CO 0.00 -0.23 0.63 1.18 0.00 0.00 0.00 176.54 178.13 1y77 n GLU 1214N -5.44 -0.05 0.24 4.80 -0.58 0.96 0.13 120.64 120.69 1y77 n GLU 1214Ca -0.05 1.27 -0.12 0.00 -0.42 0.00 0.00 57.16 57.84 1y77 n GLU 1214Cb 0.37 -2.36 -0.06 0.00 -0.57 0.00 0.00 31.44 28.82 1y77 n GLU 1214CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1y77 h ARG 1215N 0.00 -0.64 -0.78 3.49 9.65 0.96 -2.36 114.38 124.71 1y77 h ARG 1215Ca 0.82 0.04 0.11 0.00 -1.10 0.00 0.00 59.98 59.85 1y77 h ARG 1215Cb 2.34 0.15 -0.13 0.00 -1.39 0.00 0.00 29.97 30.94 1y77 h ARG 1215CO -0.63 -0.37 -0.44 0.82 2.80 0.00 0.00 179.97 182.16 1y77 h ILE 1216N -1.11 0.05 -0.54 1.20 2.04 0.18 0.57 117.51 119.91 1y77 h ILE 1216Ca -0.07 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.83 1y77 h ILE 1216Cb 0.57 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1y77 h ILE 1216CO 0.11 0.00 0.36 0.50 0.00 0.00 0.00 178.15 179.12 1y77 h LYS 1217N -0.12 0.59 -0.08 2.37 3.64 -0.95 0.34 116.57 122.37 1y77 h LYS 1217Ca 0.23 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.58 1y77 h LYS 1217Cb 0.55 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1y77 h LYS 1217CO -0.82 0.39 0.00 0.00 -2.27 0.00 0.00 179.45 176.75 1y77 n GLN 1218N -4.47 1.67 -0.02 1.90 10.64 0.77 0.17 117.38 128.03 1y77 n GLN 1218Ca 0.06 -0.98 -0.09 0.00 -1.83 0.00 0.00 57.00 54.16 1y77 n GLN 1218Cb 0.15 -1.44 -0.14 0.00 -0.86 0.00 0.00 30.24 27.94 1y77 n GLN 1218CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1y77 n THR 1219N 0.19 1.60 -0.05 -0.39 -1.04 0.16 -4.38 114.28 110.37 1y77 n THR 1219Ca 0.18 -0.80 -0.07 0.00 -2.04 0.00 0.00 64.05 61.33 1y77 n THR 1219Cb 0.33 -1.03 -0.07 0.00 -1.82 0.00 0.00 70.33 67.75 1y77 n THR 1219CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1y77 n PHE 1220N -3.04 0.00 0.00 -1.42 3.01 -0.69 -5.07 117.46 110.24 1y77 n PHE 1220Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.28 1y77 n PHE 1220Cb 1.06 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 40.05 1y77 n PHE 1220CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1y77 n LYS 1221N -2.59 0.00 -3.19 -1.08 5.02 0.45 -4.50 118.16 112.26 1y77 n LYS 1221Ca -0.19 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.66 1y77 n LYS 1221Cb 0.78 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.79 1y77 n LYS 1221CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1y77 n ASN 1222N 7.46 5.51 0.00 4.39 4.13 -1.26 -4.09 115.26 131.40 1y77 n ASN 1222Ca 0.00 -3.05 0.00 0.00 1.68 0.00 0.00 54.58 53.21 1y77 n ASN 1222Cb 0.00 -1.42 0.00 0.00 -1.54 0.00 0.00 39.78 36.82 1y77 n ASN 1222CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 1y77 n ASP 1223N 3.36 0.00 -3.15 6.41 5.75 -1.26 -5.10 116.55 122.56 1y77 n ASP 1223Ca 0.28 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 55.11 1y77 n ASP 1223Cb 0.39 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.47 1y77 n ASP 1223CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1y77 s LEU 1224N 0.00 -0.81 0.18 -2.12 2.96 -1.26 -4.15 118.68 113.49 1y77 s LEU 1224Ca 0.00 0.35 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 1y77 s LEU 1224Cb 0.00 1.61 -0.08 0.00 0.50 0.00 0.00 46.19 48.23 1y77 s LEU 1224CO 0.00 -0.15 0.90 0.12 -1.32 0.00 0.00 176.35 175.90 1y77 s PHE 1225N 2.92 3.91 0.02 5.38 5.36 -1.02 -4.82 117.98 129.73 1y77 s PHE 1225Ca 0.11 1.79 -0.00 0.00 -0.96 0.00 0.00 56.93 57.87 1y77 s PHE 1225Cb -0.09 -2.94 -0.02 0.00 -0.34 0.00 0.00 43.02 39.63 1y77 s PHE 1225CO -0.18 0.40 -0.02 0.08 -1.46 0.00 0.00 175.22 174.04 1y77 s VAL 1226N -0.81 0.10 0.24 3.12 1.01 -1.26 -2.31 120.40 120.49 1y77 s VAL 1226Ca 0.41 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1y77 s VAL 1226Cb -0.24 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.85 1y77 s VAL 1226CO 0.30 -0.46 0.16 -0.63 0.00 0.00 0.00 175.10 174.47 1y77 s ILE 1227N -1.35 0.07 -0.16 2.22 1.01 -0.91 -4.99 121.20 117.08 1y77 s ILE 1227Ca -0.15 -2.00 -0.30 0.00 0.00 0.00 0.00 60.65 58.20 1y77 s ILE 1227Cb -0.09 -2.51 0.13 0.00 0.01 0.00 0.00 42.46 40.00 1y77 s ILE 1227CO -0.01 0.00 1.02 -1.66 0.00 0.00 0.00 174.94 174.29 1y77 s TRP 1228N -3.92 -0.34 0.25 3.97 -2.14 -1.26 -2.49 118.94 113.01 1y77 s TRP 1228Ca 0.39 0.57 -0.04 0.00 2.66 0.00 0.00 56.10 59.68 1y77 s TRP 1228Cb 0.06 0.46 0.06 0.00 -3.10 0.00 0.00 33.47 30.95 1y77 s TRP 1228CO 0.16 -0.32 0.20 -1.13 -2.66 0.00 0.00 176.95 173.20 1y77 n SER 1229N 0.68 -1.51 -4.50 -2.66 3.41 -0.88 -5.02 113.62 103.14 1y77 n SER 1229Ca -0.09 -0.51 -0.29 0.00 -0.26 0.00 0.00 58.87 57.71 1y77 n SER 1229Cb 0.58 -0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.23 1y77 n SER 1229CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1y77 s GLU 1230N -3.46 1.85 0.63 4.33 2.02 -1.26 -4.90 118.70 117.91 1y77 s GLU 1230Ca 0.13 -1.15 0.21 0.00 0.02 0.00 0.00 54.97 54.19 1y77 s GLU 1230Cb -0.02 -2.15 0.99 0.00 0.10 0.00 0.00 34.13 33.06 1y77 s GLU 1230CO 0.11 0.49 1.52 -0.44 0.02 0.00 0.00 175.26 176.95 1y77 h ASP 1231N 3.75 0.00 0.04 -0.19 3.32 -1.98 -0.46 116.42 120.91 1y77 h ASP 1231Ca -0.50 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 1y77 h ASP 1231Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1y77 h ASP 1231CO 0.47 0.00 -0.02 -1.13 -1.72 0.00 0.00 179.24 176.84 1y77 h ASN 1232N 0.00 -0.05 -1.85 6.45 -0.73 -2.00 -3.47 115.58 113.93 1y77 h ASN 1232Ca 0.17 -0.59 -0.52 0.00 1.87 0.00 0.00 56.30 57.23 1y77 h ASN 1232Cb 1.69 0.01 0.20 0.00 0.27 0.00 0.00 38.32 40.49 1y77 h ASN 1232CO -0.00 0.70 -1.49 0.47 -0.37 0.00 0.00 177.43 176.74 1y77 n ASP 1233N -4.74 -4.79 -0.14 1.15 8.00 -0.18 -4.86 116.55 110.99 1y77 n ASP 1233Ca -0.07 0.33 0.14 0.00 0.71 0.00 0.00 54.79 55.89 1y77 n ASP 1233Cb 0.31 -0.73 0.59 0.00 -0.02 0.00 0.00 41.12 41.26 1y77 n ASP 1233CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 1y77 n GLU 1234N 1.97 0.72 -3.60 -1.24 0.28 -1.26 -4.68 120.64 112.83 1y77 n GLU 1234Ca 0.01 -0.27 -0.27 0.00 -0.16 0.00 0.00 57.16 56.47 1y77 n GLU 1234Cb 0.49 -1.49 -0.17 0.00 1.43 0.00 0.00 31.44 31.70 1y77 n GLU 1234CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1y77 s LYS 1235N -2.46 0.12 -0.01 3.44 1.02 -1.26 -5.07 119.74 115.51 1y77 s LYS 1235Ca 0.29 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.78 1y77 s LYS 1235Cb 0.20 -1.72 -0.05 0.00 -0.52 0.00 0.00 37.83 35.75 1y77 s LYS 1235CO 0.48 -0.74 1.27 -0.51 -0.92 0.00 0.00 175.35 174.93 1y77 s LEU 1236N 2.11 4.31 -0.01 3.17 1.43 -1.26 -4.85 118.68 123.58 1y77 s LEU 1236Ca 0.03 1.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.97 1y77 s LEU 1236Cb -0.16 -3.56 0.02 0.00 0.03 0.00 0.00 46.19 42.51 1y77 s LEU 1236CO -0.14 -0.61 0.27 -0.63 0.23 0.00 0.00 176.35 175.47 1y77 s ILE 1237N 2.02 0.06 -0.17 -0.59 1.01 -1.26 -2.71 121.20 119.56 1y77 s ILE 1237Ca 0.59 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 1y77 s ILE 1237Cb -0.28 -0.58 0.04 0.00 0.01 0.00 0.00 42.46 41.66 1y77 s ILE 1237CO 0.25 -0.28 -0.05 -0.63 0.00 0.00 0.00 174.94 174.23 1y77 s ILE 1238N -1.33 1.10 0.35 2.92 1.01 -0.86 -2.07 121.20 122.32 1y77 s ILE 1238Ca -0.14 -0.68 0.07 0.00 0.00 0.00 0.00 60.65 59.91 1y77 s ILE 1238Cb -0.06 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 1y77 s ILE 1238CO 0.04 0.08 0.48 -0.13 0.00 0.00 0.00 174.94 175.41 1y77 s ARG 1239N 1.63 3.04 0.00 2.79 0.52 -1.04 -2.19 118.95 123.70 1y77 s ARG 1239Ca -0.00 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 1y77 s ARG 1239Cb -0.16 -2.79 0.00 0.00 0.52 0.00 0.00 34.95 32.52 1y77 s ARG 1239CO -0.08 -0.01 0.00 0.00 0.02 0.00 0.00 175.30 175.24 1y77 s ARG 1241N -1.33 1.63 0.00 0.00 0.52 -0.98 -2.38 118.95 116.41 1y77 s ARG 1241Ca 0.00 -1.88 0.00 0.00 -0.52 0.00 0.00 55.73 53.33 1y77 s ARG 1241Cb 0.00 -0.95 0.00 0.00 0.52 0.00 0.00 34.95 34.52 1y77 s ARG 1241CO 0.00 -0.13 0.00 0.28 0.02 0.00 0.00 175.30 175.47 1y77 n VAL 1242N -0.66 0.00 0.00 3.52 0.31 -1.26 -2.42 118.33 117.81 1y77 n VAL 1242Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1y77 n VAL 1242Cb 0.66 -0.90 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 1y77 n VAL 1242CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1y77 n VAL 1243N -0.04 0.00 -2.30 2.52 3.14 -1.26 -4.03 118.33 116.37 1y77 n VAL 1243Ca 0.00 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.35 1y77 n VAL 1243Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 32.80 1y77 n VAL 1243CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1y77 n ALA 1254N 0.00 -0.37 -2.53 1.55 0.00 -1.26 -4.96 120.51 112.94 1y77 n ALA 1254Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1y77 n ALA 1254Cb 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 18.56 1y77 n ALA 1254CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y77 n GLU 1255N -1.57 -0.96 0.09 0.00 1.02 -1.26 -5.00 120.64 112.97 1y77 n GLU 1255Ca -0.05 1.04 -0.14 0.00 -0.02 0.00 0.00 57.16 57.99 1y77 n GLU 1255Cb 0.53 -4.26 -0.14 0.00 -0.02 0.00 0.00 31.44 27.55 1y77 n GLU 1255CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1y77 h GLU 1256N 0.12 0.22 0.58 3.49 4.39 -2.02 -3.17 114.58 118.19 1y77 h GLU 1256Ca -0.07 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.23 1y77 h GLU 1256Cb 1.04 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1y77 h GLU 1256CO 0.21 1.17 -0.28 -0.44 -1.16 0.00 0.00 179.01 178.51 1y77 h ASP 1257N 0.06 -0.66 -0.53 1.42 3.32 -1.94 1.47 116.42 119.56 1y77 h ASP 1257Ca -0.11 0.00 0.10 0.00 0.02 0.00 0.00 57.03 57.04 1y77 h ASP 1257Cb 1.93 0.17 -0.11 0.00 0.22 0.00 0.00 39.33 41.55 1y77 h ASP 1257CO 0.19 -0.44 -0.27 -0.74 -1.72 0.00 0.00 179.24 176.25 1y77 h HIS 1258N -0.83 -0.72 -0.57 4.55 2.76 -1.98 -0.02 115.15 118.33 1y77 h HIS 1258Ca -0.08 0.06 -0.10 0.00 -2.20 0.00 0.00 60.37 58.05 1y77 h HIS 1258Cb 0.62 0.40 -0.02 0.00 1.55 0.00 0.00 27.41 29.96 1y77 h HIS 1258CO -0.03 -0.35 -0.05 1.98 -1.30 0.00 0.00 177.93 178.19 1y77 h MET 1259N -0.14 1.04 -1.71 5.26 1.85 -1.47 -3.06 114.93 116.69 1y77 h MET 1259Ca 0.23 -0.35 0.00 0.00 -0.61 0.00 0.00 59.70 58.97 1y77 h MET 1259Cb 0.52 -0.08 0.00 0.00 0.43 0.00 0.00 31.60 32.46 1y77 h MET 1259CO -0.61 1.04 0.00 -0.11 -0.40 0.00 0.00 176.91 176.83 1y77 n LEU 1260N -4.16 4.29 0.00 3.39 7.94 0.50 -2.10 117.00 126.87 1y77 n LEU 1260Ca 0.02 -1.98 0.00 0.00 -1.11 0.00 0.00 56.01 52.95 1y77 n LEU 1260Cb 0.37 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.45 1y77 n LEU 1260CO 0.45 0.79 -0.04 1.17 -1.11 0.00 0.00 177.39 178.65 1y77 n LYS 1261N 1.22 0.28 0.18 1.96 4.81 -1.08 -4.36 118.16 121.17 1y77 n LYS 1261Ca 0.00 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.47 1y77 n LYS 1261Cb 0.47 -0.54 0.40 0.00 0.02 0.00 0.00 35.03 35.37 1y77 n LYS 1261CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1y77 h LYS 1262N 0.00 0.06 0.00 1.64 1.57 -1.45 0.18 116.57 118.56 1y77 h LYS 1262Ca 0.00 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1y77 h LYS 1262Cb 0.08 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1y77 h LYS 1262CO 0.00 0.33 -0.40 0.82 -0.57 0.00 0.00 179.45 179.63 1y77 h ILE 1263N 0.06 0.46 -0.13 1.86 2.04 -1.80 -2.13 117.51 117.86 1y77 h ILE 1263Ca 0.01 -1.67 0.01 0.00 1.00 0.00 0.00 64.86 64.21 1y77 h ILE 1263Cb 0.52 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1y77 h ILE 1263CO 0.04 0.26 0.04 -0.08 0.00 0.00 0.00 178.15 178.41 1y77 h GLU 1264N 0.00 0.10 0.10 2.37 4.57 -0.87 -2.65 114.58 118.21 1y77 h GLU 1264Ca -0.01 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1y77 h GLU 1264Cb 1.23 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1y77 h GLU 1264CO 0.04 0.06 -0.05 -0.91 -1.18 0.00 0.00 179.01 176.97 1y77 h ASN 1265N 0.10 -0.12 0.00 1.04 2.35 -1.41 -3.15 115.58 114.39 1y77 h ASN 1265Ca 0.05 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1y77 h ASN 1265Cb 0.03 0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1y77 h ASN 1265CO -0.06 0.51 0.53 0.74 -1.65 0.00 0.00 177.43 177.51 1y77 h THR 1266N -0.88 0.00 0.00 2.81 2.02 -1.43 2.32 112.91 117.74 1y77 h THR 1266Ca -0.01 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.07 1y77 h THR 1266Cb 0.56 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1y77 h THR 1266CO 0.02 0.00 -1.25 0.23 0.37 0.00 0.00 175.52 174.89 1y77 n MET 1267N -2.12 0.61 0.02 6.66 2.81 -1.00 -3.57 117.12 120.54 1y77 n MET 1267Ca -0.01 0.17 0.09 0.00 -1.81 0.00 0.00 57.70 56.14 1y77 n MET 1267Cb 0.55 -1.81 -0.11 0.00 -0.71 0.00 0.00 33.22 31.14 1y77 n MET 1267CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1y77 n LEU 1268N -2.78 0.34 0.00 4.03 4.77 0.78 -4.56 117.00 119.58 1y77 n LEU 1268Ca -0.06 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1y77 n LEU 1268Cb 0.71 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1y77 n LEU 1268CO 0.42 -0.02 -0.03 -0.62 -1.33 0.00 0.00 177.39 175.81 1y77 n GLU 1269N -2.47 2.96 -0.17 3.23 1.02 -0.89 -3.93 120.64 120.38 1y77 n GLU 1269Ca -0.05 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.18 1y77 n GLU 1269Cb 0.62 -0.28 0.17 0.00 -0.02 0.00 0.00 31.44 31.94 1y77 n GLU 1269CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1y77 n ASN 1270N -0.44 3.06 -4.29 1.62 3.02 -1.23 -4.92 115.26 112.08 1y77 n ASN 1270Ca 0.00 -1.89 -0.33 0.00 -0.03 0.00 0.00 54.58 52.33 1y77 n ASN 1270Cb 0.00 -0.22 -0.15 0.00 -0.61 0.00 0.00 39.78 38.79 1y77 n ASN 1270CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1y77 s ILE 1271N -1.17 2.72 0.13 2.41 2.07 -1.26 -5.03 121.20 121.08 1y77 s ILE 1271Ca 0.30 -0.76 0.07 0.00 -1.41 0.00 0.00 60.65 58.85 1y77 s ILE 1271Cb 0.17 -2.14 -0.04 0.00 0.13 0.00 0.00 42.46 40.58 1y77 s ILE 1271CO 0.23 0.52 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.83 1y77 s THR 1272N 0.65 3.51 -0.02 4.00 2.01 -1.26 -4.04 115.64 120.50 1y77 s THR 1272Ca -0.08 -1.33 -0.02 0.00 0.31 0.00 0.00 61.69 60.57 1y77 s THR 1272Cb -0.16 -2.69 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 1y77 s THR 1272CO 0.02 0.03 -0.05 0.18 -0.69 0.00 0.00 174.62 174.11 1y77 n LEU 1273N 0.38 0.36 -3.78 4.42 4.32 -0.19 -4.95 117.00 117.56 1y77 n LEU 1273Ca -0.12 0.06 -0.26 0.00 -0.02 0.00 0.00 56.01 55.67 1y77 n LEU 1273Cb 0.53 -0.37 -0.17 0.00 -1.62 0.00 0.00 43.42 41.79 1y77 n LEU 1273CO 0.36 -0.49 -0.39 -0.60 -1.22 0.00 0.00 177.39 175.05 1y77 s ARG 1274N -1.35 0.82 0.00 3.23 3.52 -1.25 -5.03 118.95 118.89 1y77 s ARG 1274Ca -0.04 -0.23 0.00 0.00 -0.13 0.00 0.00 55.73 55.33 1y77 s ARG 1274Cb 0.01 -1.65 0.00 0.00 -1.56 0.00 0.00 34.95 31.75 1y77 s ARG 1274CO 0.06 -0.46 0.00 0.41 -0.81 0.00 0.00 175.30 174.50 1y77 n GLY 1275N 5.05 0.98 3.18 8.12 0.00 -1.22 -2.97 105.19 118.33 1y77 n GLY 1275Ca -0.09 -1.92 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 1y77 n GLY 1275CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1y77 s VAL 1276N -1.48 1.44 0.92 1.61 1.01 0.14 -4.91 120.40 119.14 1y77 s VAL 1276Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 61.98 61.06 1y77 s VAL 1276Cb 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1y77 s VAL 1276CO 0.00 0.41 0.16 -1.84 0.00 0.00 0.00 175.10 173.83 1y77 n GLU 1277N 2.64 -0.15 0.00 2.72 0.28 -1.26 -3.37 120.64 121.50 1y77 n GLU 1277Ca -0.15 -0.01 0.00 0.00 -0.16 0.00 0.00 57.16 56.84 1y77 n GLU 1277Cb 0.54 -1.66 0.00 0.00 1.43 0.00 0.00 31.44 31.74 1y77 n GLU 1277CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1y77 n ASN 1278N -0.13 0.00 -4.56 -1.84 3.02 -1.26 -4.73 115.26 105.76 1y77 n ASN 1278Ca 0.05 0.00 -0.39 0.00 -0.03 0.00 0.00 54.58 54.21 1y77 n ASN 1278Cb 0.53 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 1y77 n ASN 1278CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1y77 s ILE 1279N 0.00 3.25 0.00 2.41 1.01 -1.22 -4.47 121.20 122.18 1y77 s ILE 1279Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.84 1y77 s ILE 1279Cb 0.00 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 38.94 1y77 s ILE 1279CO 0.00 -0.47 0.00 -0.62 0.00 0.00 0.00 174.94 173.85 1y77 n GLU 1280N 8.94 0.44 -0.47 2.79 1.02 -1.25 -2.16 120.64 129.95 1y77 n GLU 1280Ca 0.26 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.26 1y77 n GLU 1280Cb 0.51 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 31.94 1y77 n GLU 1280CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1y77 n ARG 1281N 0.00 0.00 -3.66 3.49 1.74 -1.26 -4.40 116.66 112.56 1y77 n ARG 1281Ca 0.00 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 56.99 1y77 n ARG 1281Cb 0.00 -0.39 -0.10 0.00 -1.02 0.00 0.00 32.46 30.95 1y77 n ARG 1281CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y77 s VAL 1282N -0.78 -0.55 0.33 1.55 1.01 -1.26 -3.34 120.40 117.36 1y77 s VAL 1282Ca 0.21 0.16 0.09 0.00 0.00 0.00 0.00 61.98 62.44 1y77 s VAL 1282Cb -0.17 -0.66 -0.06 0.00 0.00 0.00 0.00 36.38 35.49 1y77 s VAL 1282CO 0.27 0.07 -0.03 -0.69 0.00 0.00 0.00 175.10 174.71 1y77 s VAL 1283N 2.42 2.59 0.19 2.92 1.01 -0.78 -4.91 120.40 123.84 1y77 s VAL 1283Ca -0.03 -2.06 0.07 0.00 0.00 0.00 0.00 61.98 59.96 1y77 s VAL 1283Cb -0.11 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 1y77 s VAL 1283CO -0.13 -0.23 0.03 -0.04 0.00 0.00 0.00 175.10 174.73 1y77 s MET 1284N -3.67 2.51 -0.21 2.72 -1.94 -1.26 -0.94 119.30 116.51 1y77 s MET 1284Ca 0.34 -1.09 -0.19 0.00 -1.71 0.00 0.00 55.69 53.03 1y77 s MET 1284Cb -0.00 -2.40 0.05 0.00 2.01 0.00 0.00 34.83 34.49 1y77 s MET 1284CO 0.18 0.45 0.56 -1.64 -0.01 0.00 0.00 175.02 174.56 1y77 s MET 1285N -3.09 0.65 -0.97 2.03 -1.94 0.30 -4.94 119.30 111.34 1y77 s MET 1285Ca 0.29 0.78 -0.12 0.00 -1.71 0.00 0.00 55.69 54.93 1y77 s MET 1285Cb -0.09 0.32 0.24 0.00 2.01 0.00 0.00 34.83 37.31 1y77 s MET 1285CO 0.20 -0.08 0.95 0.21 -0.01 0.00 0.00 175.02 176.29 1y77 s LYS 1286N 0.30 3.89 0.82 2.03 2.20 -1.26 -0.44 119.74 127.28 1y77 s LYS 1286Ca -0.00 -2.80 -0.12 0.00 -0.36 0.00 0.00 55.97 52.69 1y77 s LYS 1286Cb -0.04 -4.51 0.08 0.00 -1.51 0.00 0.00 37.83 31.85 1y77 s LYS 1286CO 0.01 -1.29 1.12 0.71 -0.36 0.00 0.00 175.35 175.53 1y77 s TYR 1287N -0.41 2.80 -0.36 4.03 4.12 -0.83 -4.86 117.35 121.85 1y77 s TYR 1287Ca 0.25 1.01 -0.11 0.00 0.02 0.00 0.00 57.07 58.24 1y77 s TYR 1287Cb -0.10 -3.23 0.02 0.00 -1.52 0.00 0.00 41.96 37.13 1y77 s TYR 1287CO -0.08 -1.88 0.19 -0.51 0.02 0.00 0.00 175.55 173.29 1y77 s ASP 1288N -4.06 5.68 -0.18 2.29 1.01 -1.26 -2.99 116.67 117.16 1y77 s ASP 1288Ca 0.61 -0.89 0.00 0.00 0.71 0.00 0.00 52.55 52.98 1y77 s ASP 1288Cb -0.14 -2.02 0.04 0.00 1.01 0.00 0.00 42.92 41.82 1y77 s ASP 1288CO 0.53 -0.34 -0.07 -0.60 0.21 0.00 0.00 175.17 174.90 1y77 s ARG 1289N 1.56 1.63 0.37 8.23 3.52 -1.26 -5.03 118.95 127.97 1y77 s ARG 1289Ca 0.03 -0.67 -0.25 0.00 -0.13 0.00 0.00 55.73 54.71 1y77 s ARG 1289Cb -0.19 -2.20 -0.09 0.00 -1.56 0.00 0.00 34.95 30.91 1y77 s ARG 1289CO 0.06 -0.45 1.05 0.15 -0.81 0.00 0.00 175.30 175.30 1y77 s LYS 1290N 1.54 4.30 0.12 5.12 1.02 -1.26 -2.85 119.74 127.73 1y77 s LYS 1290Ca -0.01 1.56 -0.22 0.00 0.02 0.00 0.00 55.97 57.33 1y77 s LYS 1290Cb -0.16 -2.70 0.06 0.00 -0.52 0.00 0.00 37.83 34.51 1y77 s LYS 1290CO -0.08 -0.03 0.54 0.08 -0.92 0.00 0.00 175.35 174.94 1y77 s VAL 1291N -1.55 0.02 -0.54 3.17 1.01 -0.16 -4.90 120.40 117.45 1y77 s VAL 1291Ca 0.54 -0.19 -0.27 0.00 0.00 0.00 0.00 61.98 62.07 1y77 s VAL 1291Cb -0.24 -1.04 -0.09 0.00 0.00 0.00 0.00 36.38 35.01 1y77 s VAL 1291CO 0.30 -0.10 2.45 -2.65 0.00 0.00 0.00 175.10 175.10 1y77 n PRO 1292N -0.15 0.94 -0.66 2.72 -0.02 -1.26 0.29 135.00 136.85 1y77 n PRO 1292Ca -0.17 0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 1y77 n PRO 1292Cb 0.64 -3.21 0.20 0.00 -0.02 0.00 0.00 33.50 31.10 1y77 n PRO 1292CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1y77 s SER 1293N 11.77 2.16 0.34 2.55 0.15 -0.20 -4.86 113.70 125.61 1y77 s SER 1293Ca 1.03 1.89 0.10 0.00 0.70 0.00 0.00 55.95 59.66 1y77 s SER 1293Cb -0.31 -2.45 0.61 0.00 -1.71 0.00 0.00 66.02 62.16 1y77 s SER 1293CO 0.29 -3.53 1.78 1.55 1.20 0.00 0.00 173.24 174.54 1y77 h PRO 1294N -2.16 0.14 0.00 5.44 0.13 -1.94 -2.70 132.00 130.91 1y77 h PRO 1294Ca -0.51 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 1y77 h PRO 1294Cb 1.29 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1y77 h PRO 1294CO 0.46 0.48 -0.08 0.00 -0.23 0.00 0.00 178.00 178.63 1y77 h THR 1295N 0.12 0.28 0.00 1.56 1.03 -2.01 -3.47 112.91 110.42 1y77 h THR 1295Ca 0.01 -0.57 0.00 0.00 -0.01 0.00 0.00 66.41 65.84 1y77 h THR 1295Cb 0.69 1.44 0.00 0.00 -1.07 0.00 0.00 68.15 69.21 1y77 h THR 1295CO 0.05 0.08 0.00 0.61 -0.01 0.00 0.00 175.52 176.25 1y77 n GLY 1296N -0.32 3.01 3.20 2.99 0.00 -1.02 -2.72 105.19 110.34 1y77 n GLY 1296Ca -0.01 -0.91 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1y77 n GLY 1296CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1y77 n GLU 1297N 0.00 -1.93 -4.72 1.61 1.02 -1.26 -4.46 120.64 110.89 1y77 n GLU 1297Ca 0.00 -0.56 -0.33 0.00 -0.02 0.00 0.00 57.16 56.25 1y77 n GLU 1297Cb 0.00 -1.64 -0.15 0.00 -0.02 0.00 0.00 31.44 29.63 1y77 n GLU 1297CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1y77 s TYR 1298N -2.18 2.79 0.15 -0.32 1.51 -1.26 -1.03 117.35 117.00 1y77 s TYR 1298Ca 0.51 -0.79 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1y77 s TYR 1298Cb -0.10 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 1y77 s TYR 1298CO 0.58 -0.31 -0.08 0.08 -1.11 0.00 0.00 175.55 174.71 1y77 s VAL 1299N 0.51 1.08 -0.95 0.71 1.01 0.14 -4.83 120.40 118.07 1y77 s VAL 1299Ca -0.10 -2.04 -0.24 0.00 0.00 0.00 0.00 61.98 59.60 1y77 s VAL 1299Cb -0.16 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.34 1y77 s VAL 1299CO 0.04 -0.70 1.61 -0.54 0.00 0.00 0.00 175.10 175.51 1y77 s LYS 1300N -3.78 3.21 -0.93 2.72 1.02 -1.26 -0.99 119.74 119.73 1y77 s LYS 1300Ca 0.18 -0.74 -0.01 0.00 0.02 0.00 0.00 55.97 55.42 1y77 s LYS 1300Cb 0.03 -5.15 0.27 0.00 -0.52 0.00 0.00 37.83 32.46 1y77 s LYS 1300CO 0.01 -2.58 1.10 -1.91 -0.92 0.00 0.00 175.35 171.05 1y77 n GLU 1301N 8.93 3.47 -0.88 1.68 2.13 -1.13 -4.99 120.64 129.84 1y77 n GLU 1301Ca 0.33 -4.56 -0.35 0.00 0.66 0.00 0.00 57.16 53.24 1y77 n GLU 1301Cb 0.50 -2.43 0.09 0.00 0.27 0.00 0.00 31.44 29.87 1y77 n GLU 1301CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1y77 n PRO 1302N 1.55 -0.34 -3.64 5.31 -0.04 -1.26 -4.52 135.00 132.04 1y77 n PRO 1302Ca 0.26 -0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.50 1y77 n PRO 1302Cb 0.37 -1.41 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 1y77 n PRO 1302CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1y77 s GLU 1303N -2.80 0.93 0.29 0.54 -1.05 -1.16 -4.62 118.70 110.84 1y77 s GLU 1303Ca 0.48 -0.27 -0.13 0.00 -0.15 0.00 0.00 54.97 54.90 1y77 s GLU 1303Cb -0.14 0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 33.88 1y77 s GLU 1303CO 0.73 -0.31 0.67 -1.58 0.95 0.00 0.00 175.26 175.72 1y77 s TRP 1304N -2.24 3.39 0.00 4.83 0.52 -1.25 -1.97 118.94 122.22 1y77 s TRP 1304Ca -0.07 1.10 -0.17 0.00 0.02 0.00 0.00 56.10 56.98 1y77 s TRP 1304Cb -0.01 -2.44 0.03 0.00 -1.15 0.00 0.00 33.47 29.90 1y77 s TRP 1304CO -0.01 0.15 0.38 0.08 0.02 0.00 0.00 176.95 177.57 1y77 s VAL 1305N -1.94 0.05 -0.09 4.03 1.01 0.41 -4.47 120.40 119.42 1y77 s VAL 1305Ca 0.52 -0.44 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 1y77 s VAL 1305Cb -0.10 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1y77 s VAL 1305CO 0.19 -0.24 0.13 -0.76 0.00 0.00 0.00 175.10 174.41 1y77 s LEU 1306N -1.59 4.25 -0.10 3.92 1.43 -1.10 -0.54 118.68 124.96 1y77 s LEU 1306Ca -0.10 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1y77 s LEU 1306Cb -0.03 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 44.02 1y77 s LEU 1306CO 0.02 0.37 -0.20 -1.61 0.23 0.00 0.00 176.35 175.16 1y77 s GLU 1307N -1.24 2.99 0.00 1.70 2.02 -0.12 -2.16 118.70 121.90 1y77 s GLU 1307Ca 0.18 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.35 1y77 s GLU 1307Cb -0.12 -2.37 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1y77 s GLU 1307CO 0.07 0.27 0.00 -2.37 0.02 0.00 0.00 175.26 173.25 1y77 n THR 1308N 3.30 0.00 -2.21 3.63 5.66 0.61 -1.86 114.28 123.40 1y77 n THR 1308Ca -0.18 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.79 1y77 n THR 1308Cb 0.53 -1.68 0.02 0.00 -1.55 0.00 0.00 70.33 67.64 1y77 n THR 1308CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1y77 n ASP 1309N -0.55 -0.68 -3.65 1.09 -0.08 -1.21 -4.52 116.55 106.94 1y77 n ASP 1309Ca 0.00 -1.39 0.00 0.00 -1.51 0.00 0.00 54.79 51.89 1y77 n ASP 1309Cb 0.00 0.28 -0.00 0.00 2.34 0.00 0.00 41.12 43.73 1y77 n ASP 1309CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1y77 s GLY 1310N -0.58 -0.30 -0.21 0.27 0.00 -1.26 -3.84 107.32 101.39 1y77 s GLY 1310Ca 0.03 0.42 -0.04 0.00 0.00 0.00 0.00 44.72 45.12 1y77 s GLY 1310CO -0.04 0.95 0.18 0.14 0.00 0.00 0.00 173.10 174.34 1y77 s VAL 1311N -2.53 -0.25 -0.41 1.40 1.01 -1.26 -4.42 120.40 113.95 1y77 s VAL 1311Ca 0.16 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 61.97 1y77 s VAL 1311Cb 0.02 -0.70 0.17 0.00 0.00 0.00 0.00 36.38 35.87 1y77 s VAL 1311CO -0.02 -0.29 0.36 -3.20 0.00 0.00 0.00 175.10 171.95 1y77 n ASN 1312N 5.30 -0.59 0.24 3.32 2.85 -1.26 -4.94 115.26 120.18 1y77 n ASN 1312Ca -0.06 -2.40 -0.11 0.00 -0.11 0.00 0.00 54.58 51.90 1y77 n ASN 1312Cb 0.48 -0.46 -0.05 0.00 1.24 0.00 0.00 39.78 40.99 1y77 n ASN 1312CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1y77 h LEU 1313N 5.55 -0.65 0.00 1.20 5.85 -1.98 -2.78 115.31 122.50 1y77 h LEU 1313Ca 0.25 0.03 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1y77 h LEU 1313Cb 0.92 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.13 1y77 h LEU 1313CO 0.36 -0.41 0.48 -1.54 -0.34 0.00 0.00 178.44 176.99 1y77 n SER 1314N -3.95 0.00 0.00 1.25 3.41 -1.26 -1.30 113.62 111.77 1y77 n SER 1314Ca -0.08 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1y77 n SER 1314Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1y77 n SER 1314CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1y77 n GLU 1315N -1.01 0.00 0.32 4.33 1.02 -1.21 -4.53 120.64 119.55 1y77 n GLU 1315Ca 0.00 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.34 1y77 n GLU 1315Cb 0.48 -0.61 1.05 0.00 -0.02 0.00 0.00 31.44 32.33 1y77 n GLU 1315CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1y77 h VAL 1316N 0.00 0.12 -0.29 2.62 2.07 -0.90 -0.27 116.25 119.60 1y77 h VAL 1316Ca 0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.38 1y77 h VAL 1316Cb 0.81 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1y77 h VAL 1316CO 0.00 0.00 -0.34 -0.03 0.02 0.00 0.00 177.57 177.22 1y77 h MET 1317N 0.00 0.75 -1.01 1.57 -1.53 -1.45 -3.23 114.93 110.03 1y77 h MET 1317Ca 0.01 -0.42 0.00 0.00 -3.44 0.00 0.00 59.70 55.86 1y77 h MET 1317Cb 0.22 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.30 1y77 h MET 1317CO -0.00 1.04 0.00 0.25 0.14 0.00 0.00 176.91 178.34 1y77 n THR 1318N -4.20 0.95 -4.07 -0.77 -2.24 -0.11 -4.70 114.28 99.14 1y77 n THR 1318Ca -0.04 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.43 1y77 n THR 1318Cb 0.51 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 1y77 n THR 1318CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1y77 s VAL 1319N -0.03 4.64 0.04 2.28 1.01 -1.22 -5.09 120.40 122.02 1y77 s VAL 1319Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 1y77 s VAL 1319Cb 0.00 -3.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.15 1y77 s VAL 1319CO 0.00 0.22 1.07 -2.16 0.00 0.00 0.00 175.10 174.23 1y77 s PRO 1320N -2.11 4.52 0.00 2.72 0.04 -1.26 -3.88 135.00 135.03 1y77 s PRO 1320Ca 0.27 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.88 1y77 s PRO 1320Cb -0.12 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1y77 s PRO 1320CO 0.19 -0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.52 1y77 n GLY 1321N 2.96 2.37 3.86 0.56 0.00 -1.26 -5.00 105.19 108.68 1y77 n GLY 1321Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 1y77 n GLY 1321CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1y77 s ILE 1322N -2.16 3.66 -0.84 -0.61 -4.36 -1.25 -1.72 121.20 113.91 1y77 s ILE 1322Ca 0.00 -1.36 -0.16 0.00 -0.26 0.00 0.00 60.65 58.87 1y77 s ILE 1322Cb 0.00 -3.22 0.17 0.00 1.25 0.00 0.00 42.46 40.66 1y77 s ILE 1322CO 0.00 -0.19 0.90 -0.62 0.24 0.00 0.00 174.94 175.26 1y77 s ASP 1323N -3.99 6.64 0.00 4.36 -1.08 0.21 -4.52 116.67 118.29 1y77 s ASP 1323Ca 0.40 -2.30 0.00 0.00 -0.52 0.00 0.00 52.55 50.14 1y77 s ASP 1323Cb -0.06 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 1y77 s ASP 1323CO 0.27 -0.82 0.43 -0.81 0.52 0.00 0.00 175.17 174.75 1y77 n PRO 1324N 5.24 0.45 0.00 4.34 -0.04 -1.26 -1.37 135.00 142.36 1y77 n PRO 1324Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1y77 n PRO 1324Cb 0.47 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 1y77 n PRO 1324CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1y77 n THR 1325N 0.74 0.00 0.46 0.52 -1.04 -1.26 -4.71 114.28 108.98 1y77 n THR 1325Ca 0.00 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.06 1y77 n THR 1325Cb 0.22 -0.41 0.02 0.00 -1.82 0.00 0.00 70.33 68.34 1y77 n THR 1325CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1y77 n ARG 1326N -1.71 1.32 -1.70 -2.82 1.74 -0.47 -5.02 116.66 108.00 1y77 n ARG 1326Ca 0.00 -0.87 -0.43 0.00 -0.77 0.00 0.00 57.85 55.77 1y77 n ARG 1326Cb 0.29 -1.15 -0.02 0.00 -1.02 0.00 0.00 32.46 30.56 1y77 n ARG 1326CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1y77 n ILE 1327N 0.17 1.01 -3.75 0.55 3.06 -1.10 -4.71 119.36 114.58 1y77 n ILE 1327Ca 0.05 -0.25 -0.14 0.00 -2.50 0.00 0.00 62.75 59.91 1y77 n ILE 1327Cb 0.24 -1.68 -0.15 0.00 0.54 0.00 0.00 39.64 38.60 1y77 n ILE 1327CO 0.00 0.00 0.00 -0.47 -2.50 0.00 0.00 176.55 173.58 1y77 s TYR 1328N -0.06 -0.14 0.04 9.51 5.04 0.34 -5.03 117.35 127.05 1y77 s TYR 1328Ca 0.66 0.43 0.07 0.00 -2.44 0.00 0.00 57.07 55.79 1y77 s TYR 1328Cb -0.58 -0.10 -0.03 0.00 0.35 0.00 0.00 41.96 41.60 1y77 s TYR 1328CO 0.49 -0.15 -0.18 0.99 -1.34 0.00 0.00 175.55 175.36 1y77 s THR 1329N 1.10 2.79 -0.74 4.34 2.01 -1.26 0.24 115.64 124.12 1y77 s THR 1329Ca -0.09 -1.18 0.26 0.00 0.31 0.00 0.00 61.69 61.00 1y77 s THR 1329Cb -0.11 -2.17 0.28 0.00 0.01 0.00 0.00 72.50 70.51 1y77 s THR 1329CO -0.05 0.35 1.77 -0.46 -0.69 0.00 0.00 174.62 175.53 1y77 n ASN 1330N 1.58 0.77 -4.56 3.53 0.23 -1.26 -4.39 115.26 111.15 1y77 n ASN 1330Ca -0.16 0.55 -0.39 0.00 -0.53 0.00 0.00 54.58 54.05 1y77 n ASN 1330Cb 0.52 -0.75 -0.03 0.00 -2.08 0.00 0.00 39.78 37.44 1y77 n ASN 1330CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 1y77 s SER 1331N -4.44 6.32 0.52 0.53 0.15 -1.26 -4.75 113.70 110.78 1y77 s SER 1331Ca 0.11 -1.34 0.19 0.00 0.70 0.00 0.00 55.95 55.61 1y77 s SER 1331Cb 0.13 -2.57 1.32 0.00 -1.71 0.00 0.00 66.02 63.18 1y77 s SER 1331CO 0.60 -1.67 2.11 2.19 1.20 0.00 0.00 173.24 177.67 1y77 h PHE 1332N 10.00 0.00 -0.46 3.44 -0.00 -1.95 -0.29 116.94 127.69 1y77 h PHE 1332Ca 0.18 0.00 0.09 0.00 -0.00 0.00 0.00 57.97 58.24 1y77 h PHE 1332Cb 1.01 0.00 -0.09 0.00 -0.00 0.00 0.00 35.95 36.87 1y77 h PHE 1332CO 1.27 0.00 -0.11 0.82 -0.00 0.00 0.00 178.31 180.29 1y77 h ILE 1333N 0.00 0.55 0.49 0.88 1.08 -1.94 0.22 117.51 118.79 1y77 h ILE 1333Ca 0.06 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.51 1y77 h ILE 1333Cb 0.26 0.54 0.00 0.00 -3.07 0.00 0.00 36.82 34.55 1y77 h ILE 1333CO -0.00 0.00 -0.23 0.44 -0.69 0.00 0.00 178.15 177.67 1y77 h ASP 1334N 0.01 -0.56 0.00 1.72 3.32 -1.49 -2.79 116.42 116.62 1y77 h ASP 1334Ca 0.22 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1y77 h ASP 1334Cb 0.34 0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1y77 h ASP 1334CO -0.47 -0.27 0.43 -0.38 -1.72 0.00 0.00 179.24 176.83 1y77 n ILE 1335N -4.46 0.40 -0.08 0.35 5.41 -0.54 0.10 119.36 120.55 1y77 n ILE 1335Ca -0.08 0.56 -0.06 0.00 1.00 0.00 0.00 62.75 64.17 1y77 n ILE 1335Cb 0.26 -1.56 -0.15 0.00 -0.71 0.00 0.00 39.64 37.48 1y77 n ILE 1335CO 0.00 0.00 0.00 0.80 0.00 0.00 0.00 176.55 177.35 1y77 n MET 1336N -1.30 0.87 0.15 0.38 1.56 0.74 -3.18 117.12 116.34 1y77 n MET 1336Ca -0.00 -0.04 0.02 0.00 -0.27 0.00 0.00 57.70 57.41 1y77 n MET 1336Cb 0.44 -1.48 0.13 0.00 2.15 0.00 0.00 33.22 34.46 1y77 n MET 1336CO 0.00 0.00 0.00 0.93 -0.73 0.00 0.00 175.97 176.17 1y77 h GLU 1337N 0.00 0.00 0.00 2.12 5.08 0.96 -2.92 114.58 119.81 1y77 h GLU 1337Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1y77 h GLU 1337Cb 1.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.17 1y77 h GLU 1337CO 0.02 0.54 -0.39 0.28 -1.00 0.00 0.00 179.01 178.45 1y77 n VAL 1338N -3.39 0.63 0.08 3.13 0.31 -0.94 -4.71 118.33 113.43 1y77 n VAL 1338Ca 0.01 0.35 -0.01 0.00 -0.01 0.00 0.00 64.34 64.68 1y77 n VAL 1338Cb 0.67 -1.86 0.26 0.00 -0.91 0.00 0.00 33.84 32.00 1y77 n VAL 1338CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1y77 h LEU 1339N -0.42 0.31 0.00 7.52 3.38 -1.75 -3.49 115.31 120.85 1y77 h LEU 1339Ca 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1y77 h LEU 1339Cb 0.39 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1y77 h LEU 1339CO 0.00 0.60 0.00 0.61 0.09 0.00 0.00 178.44 179.74 1y77 n GLY 1340N -0.41 2.27 0.00 0.83 0.00 -1.11 -4.71 105.19 102.06 1y77 n GLY 1340Ca -0.01 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1y77 n GLY 1340CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1y77 n ILE 1341N 1.69 0.00 -0.34 -0.61 3.06 -1.21 0.25 119.36 122.20 1y77 n ILE 1341Ca 0.00 0.00 0.13 0.00 -2.50 0.00 0.00 62.75 60.38 1y77 n ILE 1341Cb 0.00 0.00 0.32 0.00 0.54 0.00 0.00 39.64 40.50 1y77 n ILE 1341CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1y77 h GLU 1342N 0.00 0.64 -0.23 9.51 4.39 -1.93 0.96 114.58 127.92 1y77 h GLU 1342Ca 0.00 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 59.47 1y77 h GLU 1342Cb 0.00 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1y77 h GLU 1342CO 0.00 0.42 -0.62 0.00 -1.16 0.00 0.00 179.01 177.66 1y77 h ALA 1343N 1.66 0.48 0.06 3.43 0.00 0.30 -2.97 119.26 122.23 1y77 h ALA 1343Ca 0.58 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1y77 h ALA 1343Cb 0.96 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1y77 h ALA 1343CO -0.42 0.69 -0.25 0.78 0.00 0.00 0.00 179.25 180.05 1y77 h GLY 1344N 0.77 -0.43 -0.51 0.00 0.00 0.11 -1.48 103.07 101.52 1y77 h GLY 1344Ca -0.01 0.30 0.07 0.00 0.00 0.00 0.00 47.33 47.69 1y77 h GLY 1344CO 0.13 -0.21 -0.52 -0.09 0.00 0.00 0.00 176.54 175.84 1y77 h ARG 1345N -0.43 -0.28 -1.48 4.80 2.43 0.06 1.46 114.38 120.94 1y77 h ARG 1345Ca 0.04 0.02 0.43 0.00 -0.81 0.00 0.00 59.98 59.66 1y77 h ARG 1345Cb 0.48 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.04 1y77 h ARG 1345CO -0.18 -0.19 1.09 0.00 -1.51 0.00 0.00 179.97 179.18 1y77 h ALA 1346N 0.24 3.39 0.00 2.80 0.00 -1.17 0.26 119.26 124.78 1y77 h ALA 1346Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1y77 h ALA 1346Cb 0.56 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1y77 h ALA 1346CO -0.67 -1.85 -0.28 0.00 0.00 0.00 0.00 179.25 176.44 1y77 h ALA 1347N 1.20 0.04 -0.71 0.00 0.00 0.28 -2.32 119.26 117.76 1y77 h ALA 1347Ca 0.70 -0.45 0.15 0.00 0.00 0.00 0.00 54.91 55.31 1y77 h ALA 1347Cb 2.88 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 20.74 1y77 h ALA 1347CO -0.01 0.19 -0.13 1.25 0.00 0.00 0.00 179.25 180.56 1y77 h LEU 1348N -1.00 -0.57 0.28 0.00 5.85 0.16 0.80 115.31 120.83 1y77 h LEU 1348Ca -0.06 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1y77 h LEU 1348Cb 0.63 0.41 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1y77 h LEU 1348CO -0.03 -0.22 -0.15 0.22 -0.34 0.00 0.00 178.44 177.92 1y77 h TYR 1349N 0.02 -0.39 -0.93 1.25 3.20 -0.73 -1.15 116.97 118.24 1y77 h TYR 1349Ca 0.35 -0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.49 1y77 h TYR 1349Cb 0.56 0.13 -0.17 0.00 1.54 0.00 0.00 36.73 38.79 1y77 h TYR 1349CO -0.52 -0.23 0.07 1.17 -1.64 0.00 0.00 178.16 177.01 1y77 n LYS 1350N -3.13 -0.07 0.36 1.82 4.81 -0.11 -0.22 118.16 121.61 1y77 n LYS 1350Ca -0.05 1.38 -0.17 0.00 -0.87 0.00 0.00 58.31 58.60 1y77 n LYS 1350Cb 0.16 -2.22 -0.08 0.00 0.02 0.00 0.00 35.03 32.90 1y77 n LYS 1350CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1y77 h GLU 1351N 0.00 -0.88 -0.90 1.64 4.57 0.74 -2.52 114.58 117.23 1y77 h GLU 1351Ca 0.59 0.06 0.19 0.00 -1.18 0.00 0.00 59.36 59.02 1y77 h GLU 1351Cb 1.27 0.20 -0.11 0.00 -0.16 0.00 0.00 28.75 29.95 1y77 h GLU 1351CO -0.86 -0.55 0.46 0.28 -1.18 0.00 0.00 179.01 177.16 1y77 h VAL 1352N -1.06 0.60 -0.87 0.32 2.07 0.69 0.25 116.25 118.25 1y77 h VAL 1352Ca -0.09 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1y77 h VAL 1352Cb 0.73 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 1y77 h VAL 1352CO 0.15 0.10 0.57 0.22 0.02 0.00 0.00 177.57 178.63 1y77 h TYR 1353N 0.54 1.02 0.00 1.57 3.20 -0.74 -0.93 116.97 121.63 1y77 h TYR 1353Ca 0.54 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.43 1y77 h TYR 1353Cb 0.92 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 38.85 1y77 h TYR 1353CO -0.09 0.56 0.00 -0.91 -1.64 0.00 0.00 178.16 176.08 1y77 h ASN 1354N 1.03 0.00 1.71 -2.11 2.35 -0.06 -2.06 115.58 116.45 1y77 h ASN 1354Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 1y77 h ASN 1354Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1y77 h ASN 1354CO -0.12 0.00 -0.16 0.58 -1.65 0.00 0.00 177.43 176.08 1y77 h VAL 1355N 0.00 0.00 0.00 2.81 2.07 -0.84 -2.73 116.25 117.56 1y77 h VAL 1355Ca 0.00 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 1y77 h VAL 1355Cb 0.45 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 1y77 h VAL 1355CO 0.00 0.00 -1.98 -0.38 0.02 0.00 0.00 177.57 175.23 1y77 n ILE 1356N -2.83 0.14 0.03 4.57 5.41 -0.94 -4.37 119.36 121.36 1y77 n ILE 1356Ca 0.04 -0.51 -0.04 0.00 1.00 0.00 0.00 62.75 63.24 1y77 n ILE 1356Cb 0.51 -0.03 -0.09 0.00 -0.71 0.00 0.00 39.64 39.32 1y77 n ILE 1356CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1y77 h ALA 1357N 1.79 0.65 0.00 -1.39 0.00 -1.44 -3.07 119.26 115.79 1y77 h ALA 1357Ca -0.05 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1y77 h ALA 1357Cb 1.08 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1y77 h ALA 1357CO 0.00 1.16 0.00 -1.13 0.00 0.00 0.00 179.25 179.28 1y77 n SER 1358N -3.07 0.53 -0.92 0.00 3.41 -1.03 -0.64 113.62 111.91 1y77 n SER 1358Ca -0.09 0.71 0.09 0.00 -0.26 0.00 0.00 58.87 59.32 1y77 n SER 1358Cb 0.91 -0.79 0.17 0.00 -0.26 0.00 0.00 64.21 64.24 1y77 n SER 1358CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1y77 n ASP 1359N -2.17 3.06 -0.37 4.04 8.00 -1.24 -4.96 116.55 122.91 1y77 n ASP 1359Ca -0.00 -1.89 -0.05 0.00 0.71 0.00 0.00 54.79 53.56 1y77 n ASP 1359Cb 0.09 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 1y77 n ASP 1359CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y77 n GLY 1360N 1.14 0.69 3.93 0.44 0.00 0.19 -5.01 105.19 106.56 1y77 n GLY 1360Ca 0.15 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1y77 n GLY 1360CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1y77 s SER 1361N -2.43 6.38 -0.06 1.61 0.01 -1.16 -5.04 113.70 113.00 1y77 s SER 1361Ca 0.00 0.31 0.06 0.00 1.31 0.00 0.00 55.95 57.62 1y77 s SER 1361Cb 0.00 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.25 1y77 s SER 1361CO 0.00 0.07 -0.23 -0.47 0.41 0.00 0.00 173.24 173.02 1y77 s TYR 1362N -1.68 2.27 -0.07 2.43 5.04 -1.26 -4.11 117.35 119.97 1y77 s TYR 1362Ca 0.36 -0.69 0.02 0.00 -2.44 0.00 0.00 57.07 54.32 1y77 s TYR 1362Cb -0.12 -1.50 0.02 0.00 0.35 0.00 0.00 41.96 40.71 1y77 s TYR 1362CO 0.28 -0.22 -0.11 0.08 -1.34 0.00 0.00 175.55 174.24 1y77 s VAL 1363N -0.07 1.05 -0.17 3.14 1.01 -1.26 -4.69 120.40 119.40 1y77 s VAL 1363Ca -0.05 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.23 1y77 s VAL 1363Cb -0.14 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1y77 s VAL 1363CO 0.04 0.34 1.68 0.21 0.00 0.00 0.00 175.10 177.37 1y77 s ASN 1364N 0.80 6.39 0.00 3.32 3.04 -1.25 -4.90 114.94 122.33 1y77 s ASN 1364Ca -0.12 1.83 0.00 0.00 0.04 0.00 0.00 52.86 54.61 1y77 s ASN 1364Cb -0.15 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.03 1y77 s ASN 1364CO 0.02 -1.22 0.00 0.00 -3.04 0.00 0.00 177.10 172.86 1y77 n TYR 1365N 8.31 0.00 0.00 0.43 9.36 -1.26 -1.05 117.16 132.95 1y77 n TYR 1365Ca 0.19 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1y77 n TYR 1365Cb 0.44 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.15 1y77 n TYR 1365CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 1y77 n ARG 1366N -0.10 0.00 0.20 2.98 1.85 -1.26 -0.15 116.66 120.17 1y77 n ARG 1366Ca 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.77 1y77 n ARG 1366Cb 0.00 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.37 1y77 n ARG 1366CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 1y77 h HIS 1367N 0.00 -0.50 -0.13 2.89 3.86 -1.45 0.68 115.15 120.50 1y77 h HIS 1367Ca 0.00 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1y77 h HIS 1367Cb 0.00 0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1y77 h HIS 1367CO 0.00 -0.31 0.04 0.52 0.86 0.00 0.00 177.93 179.04 1y77 h MET 1368N -0.90 0.17 0.16 2.45 2.86 -0.74 -0.91 114.93 118.03 1y77 h MET 1368Ca -0.06 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1y77 h MET 1368Cb 0.41 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1y77 h MET 1368CO 0.09 0.15 -0.08 0.00 1.06 0.00 0.00 176.91 178.13 1y77 h ALA 1369N 1.88 -1.03 -0.42 6.32 0.00 -0.93 0.65 119.26 125.74 1y77 h ALA 1369Ca 0.04 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1y77 h ALA 1369Cb 0.05 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1y77 h ALA 1369CO -0.00 -1.02 -0.25 -0.11 0.00 0.00 0.00 179.25 177.87 1y77 n LEU 1370N -2.64 -0.44 -0.26 0.00 7.94 0.24 -0.55 117.00 121.29 1y77 n LEU 1370Ca -0.03 1.24 -0.05 0.00 -1.11 0.00 0.00 56.01 56.06 1y77 n LEU 1370Cb 0.09 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.69 1y77 n LEU 1370CO 0.06 -0.85 0.60 0.25 -1.11 0.00 0.00 177.39 176.34 1y77 h LEU 1371N 0.00 -1.36 -1.35 -1.96 5.85 -1.16 0.56 115.31 115.89 1y77 h LEU 1371Ca 0.07 0.26 0.18 0.00 0.84 0.00 0.00 57.88 59.23 1y77 h LEU 1371Cb 0.17 0.67 -0.07 0.00 0.37 0.00 0.00 40.66 41.79 1y77 h LEU 1371CO -0.39 -0.30 0.59 1.62 -0.34 0.00 0.00 178.44 179.62 1y77 h VAL 1372N -0.12 0.74 0.01 1.05 3.04 0.94 0.05 116.25 121.95 1y77 h VAL 1372Ca 0.25 -0.19 -0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1y77 h VAL 1372Cb 0.56 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.97 1y77 h VAL 1372CO -0.78 0.10 -0.01 0.44 -1.01 0.00 0.00 177.57 176.32 1y77 h ASP 1373N 0.56 -0.01 -0.76 3.17 3.32 0.26 -2.85 116.42 120.11 1y77 h ASP 1373Ca 0.48 -0.54 0.12 0.00 0.02 0.00 0.00 57.03 57.11 1y77 h ASP 1373Cb 0.97 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.44 1y77 h ASP 1373CO -0.22 0.53 0.37 0.58 -1.72 0.00 0.00 179.24 178.78 1y77 h VAL 1374N -0.56 0.78 0.00 -1.35 2.07 0.17 0.65 116.25 118.02 1y77 h VAL 1374Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1y77 h VAL 1374Cb 0.55 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1y77 h VAL 1374CO 0.00 0.11 0.00 0.23 0.02 0.00 0.00 177.57 177.93 1y77 n MET 1375N -4.89 0.41 0.00 1.57 2.81 -0.09 -3.98 117.12 112.95 1y77 n MET 1375Ca 0.13 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 56.06 1y77 n MET 1375Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 1y77 n MET 1375CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1y77 n THR 1376N -1.08 0.00 0.00 2.03 5.66 0.21 -1.98 114.28 119.12 1y77 n THR 1376Ca 0.10 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.10 1y77 n THR 1376Cb 0.07 -0.49 0.00 0.00 -1.55 0.00 0.00 70.33 68.36 1y77 n THR 1376CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1y77 n THR 1377N -1.29 0.00 0.00 1.09 -2.24 -0.03 -2.94 114.28 108.87 1y77 n THR 1377Ca 0.00 0.95 0.00 0.00 -2.27 0.00 0.00 64.05 62.73 1y77 n THR 1377Cb 0.26 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 66.91 1y77 n THR 1377CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y77 n GLN 1378N -0.80 0.00 0.00 -0.78 6.02 -1.26 -4.49 117.38 116.07 1y77 n GLN 1378Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1y77 n GLN 1378Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1y77 n GLN 1378CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1y77 n GLY 1379N -0.42 -0.78 0.00 1.08 0.00 -1.15 -5.12 105.19 98.79 1y77 n GLY 1379Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1y77 n GLY 1379CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y77 n GLY 1380N -1.01 2.32 3.02 -0.02 0.00 -1.26 -4.97 105.19 103.27 1y77 n GLY 1380Ca 0.00 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.48 1y77 n GLY 1380CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y77 s LEU 1381N 0.00 4.73 -0.36 0.99 1.43 -1.26 -4.46 118.68 119.76 1y77 s LEU 1381Ca 0.00 -2.14 -0.18 0.00 -1.03 0.00 0.00 54.13 50.77 1y77 s LEU 1381Cb 0.00 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 1y77 s LEU 1381CO 0.00 -0.38 0.53 -0.89 0.23 0.00 0.00 176.35 175.84 1y77 s THR 1382N 0.91 5.00 0.44 5.49 2.01 -0.84 -5.05 115.64 123.60 1y77 s THR 1382Ca 0.11 0.33 -0.24 0.00 0.31 0.00 0.00 61.69 62.20 1y77 s THR 1382Cb -0.19 -3.99 -0.08 0.00 0.01 0.00 0.00 72.50 68.25 1y77 s THR 1382CO -0.08 -0.25 1.18 -0.94 -0.69 0.00 0.00 174.62 173.84 1y77 s SER 1383N 1.77 6.29 -1.57 3.53 1.04 -1.26 -4.57 113.70 118.93 1y77 s SER 1383Ca 0.19 2.34 -0.11 0.00 0.48 0.00 0.00 55.95 58.85 1y77 s SER 1383Cb -0.15 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.31 1y77 s SER 1383CO 0.14 -0.83 2.72 0.52 0.98 0.00 0.00 173.24 176.76 1y77 n VAL 1384N -0.26 4.04 -3.55 5.02 0.31 -1.03 -2.74 118.33 120.11 1y77 n VAL 1384Ca 0.06 -2.73 -0.11 0.00 -0.01 0.00 0.00 64.34 61.55 1y77 n VAL 1384Cb 0.47 -2.62 -0.04 0.00 -0.91 0.00 0.00 33.84 30.75 1y77 n VAL 1384CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1y77 s THR 1385N 2.51 0.04 0.52 2.52 2.01 -1.26 -4.84 115.64 117.14 1y77 s THR 1385Ca 0.62 -0.35 0.32 0.00 0.31 0.00 0.00 61.69 62.59 1y77 s THR 1385Cb 0.17 -1.09 0.47 0.00 0.01 0.00 0.00 72.50 72.05 1y77 s THR 1385CO -0.07 -0.19 1.23 -1.14 -0.69 0.00 0.00 174.62 173.76 1y77 n ARG 1386N -0.23 0.01 0.00 4.92 0.63 -1.26 0.22 116.66 120.95 1y77 n ARG 1386Ca -0.17 0.92 0.14 0.00 -0.92 0.00 0.00 57.85 57.82 1y77 n ARG 1386Cb 0.64 -2.22 0.51 0.00 0.45 0.00 0.00 32.46 31.84 1y77 n ARG 1386CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 1y77 n HIS 1387N -3.28 0.00 0.00 -0.14 8.25 -1.26 -4.56 115.22 114.24 1y77 n HIS 1387Ca 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1y77 n HIS 1387Cb 1.52 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 32.50 1y77 n HIS 1387CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1y77 n GLY 1388N 1.29 1.81 0.00 -1.41 0.00 0.61 -4.90 105.19 102.59 1y77 n GLY 1388Ca 0.14 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1y77 n GLY 1388CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1y77 n PHE 1389N 0.00 0.00 -0.99 1.61 1.16 -1.11 0.35 117.46 118.49 1y77 n PHE 1389Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.59 1y77 n PHE 1389Cb 0.00 -0.10 0.35 0.00 -1.61 0.00 0.00 39.48 38.11 1y77 n PHE 1389CO 0.00 0.00 0.00 -1.71 -1.87 0.00 0.00 176.76 173.18 1y77 n ASN 1390N -1.05 5.15 0.00 5.98 5.15 -1.26 -3.94 115.26 125.28 1y77 n ASN 1390Ca 0.00 -3.09 0.00 0.00 -0.60 0.00 0.00 54.58 50.89 1y77 n ASN 1390Cb 0.33 -0.70 0.00 0.00 -0.53 0.00 0.00 39.78 38.87 1y77 n ASN 1390CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 1y77 n ARG 1391N 0.15 2.47 -0.75 1.20 1.85 0.16 -4.98 116.66 116.76 1y77 n ARG 1391Ca 0.33 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.86 1y77 n ARG 1391Cb 1.26 -0.74 0.14 0.00 -1.05 0.00 0.00 32.46 32.07 1y77 n ARG 1391CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1y77 n SER 1392N -0.97 -2.21 0.00 2.89 3.41 -1.25 -4.77 113.62 110.72 1y77 n SER 1392Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1y77 n SER 1392Cb 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 1y77 n SER 1392CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y77 n ASN 1393N -1.44 0.00 -4.75 4.04 3.02 -1.26 -4.75 115.26 110.12 1y77 n ASN 1393Ca 0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.18 1y77 n ASN 1393Cb 0.56 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.72 1y77 n ASN 1393CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1y77 s THR 1394N -1.64 2.46 0.90 3.41 2.01 -1.26 -4.92 115.64 116.59 1y77 s THR 1394Ca 0.00 0.39 -0.22 0.00 0.31 0.00 0.00 61.69 62.17 1y77 s THR 1394Cb 0.00 -3.25 -0.16 0.00 0.01 0.00 0.00 72.50 69.10 1y77 s THR 1394CO 0.00 0.07 -1.23 0.61 -0.69 0.00 0.00 174.62 173.38 1y77 n GLY 1395N 1.99 -2.58 0.00 4.40 0.00 -1.26 -4.79 105.19 102.95 1y77 n GLY 1395Ca 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1y77 n GLY 1395CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y77 n ALA 1396N -3.40 0.00 -0.09 4.61 0.00 -1.26 -3.75 120.51 116.62 1y77 n ALA 1396Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 1y77 n ALA 1396Cb 0.60 0.00 0.11 0.00 0.00 0.00 0.00 19.45 20.16 1y77 n ALA 1396CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y77 n LEU 1397N -0.49 0.02 0.00 0.00 4.77 -1.26 0.11 117.00 120.15 1y77 n LEU 1397Ca 0.00 0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 56.00 1y77 n LEU 1397Cb 0.00 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 1y77 n LEU 1397CO 0.00 -0.21 0.25 -0.03 -1.33 0.00 0.00 177.39 176.07 1y77 h MET 1398N 0.00 0.37 0.00 3.23 4.05 -1.92 -3.07 114.93 117.60 1y77 h MET 1398Ca 0.14 -0.41 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1y77 h MET 1398Cb 0.49 0.12 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 1y77 h MET 1398CO -0.05 1.10 0.00 0.00 0.23 0.00 0.00 176.91 178.19 1y77 h ARG 1399N -0.19 0.00 -0.30 0.39 3.08 0.66 -2.94 114.38 115.08 1y77 h ARG 1399Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1y77 h ARG 1399Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.35 1y77 h ARG 1399CO 0.11 0.00 0.20 0.00 -1.07 0.00 0.00 179.97 179.21 1y77 n SER 1401N -4.88 3.19 -3.25 0.00 3.41 -1.11 -3.65 113.62 107.33 1y77 n SER 1401Ca -0.01 -1.85 0.04 0.00 -0.26 0.00 0.00 58.87 56.78 1y77 n SER 1401Cb 0.03 -0.68 -0.03 0.00 -0.26 0.00 0.00 64.21 63.27 1y77 n SER 1401CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1y77 s PHE 1402N 0.84 -0.49 0.00 7.33 5.36 -1.07 -5.00 117.98 124.95 1y77 s PHE 1402Ca 0.01 0.70 0.00 0.00 -0.96 0.00 0.00 56.93 56.68 1y77 s PHE 1402Cb 0.01 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.92 1y77 s PHE 1402CO 0.00 -0.25 0.00 0.39 -1.46 0.00 0.00 175.22 173.90 1y77 n GLU 1403N 5.09 0.00 0.00 10.12 1.02 -1.26 -4.12 120.64 131.48 1y77 n GLU 1403Ca -0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 1y77 n GLU 1403Cb 0.54 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 30.40 1y77 n GLU 1403CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1y77 n GLU 1404N -0.46 2.70 0.00 3.49 1.02 -1.26 -4.98 120.64 121.14 1y77 n GLU 1404Ca 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1y77 n GLU 1404Cb 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 1y77 n GLU 1404CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1y77 n THR 1405N -0.42 0.00 -0.07 2.62 -1.04 -1.24 -0.09 114.28 114.04 1y77 n THR 1405Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1y77 n THR 1405Cb 0.03 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.51 1y77 n THR 1405CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1y77 h VAL 1406N 0.00 0.23 -0.95 12.58 2.07 -1.88 0.15 116.25 128.45 1y77 h VAL 1406Ca 0.00 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.81 1y77 h VAL 1406Cb 0.00 0.23 -0.16 0.00 -1.52 0.00 0.00 31.29 29.84 1y77 h VAL 1406CO 0.00 0.00 0.30 -0.33 0.02 0.00 0.00 177.57 177.56 1y77 h GLU 1407N -0.32 0.14 -0.14 1.57 5.08 -0.91 0.28 114.58 120.27 1y77 h GLU 1407Ca 0.14 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.29 1y77 h GLU 1407Cb 0.55 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.77 1y77 h GLU 1407CO -0.47 0.09 -0.71 0.82 -1.00 0.00 0.00 179.01 177.74 1y77 h ILE 1408N 0.14 1.32 0.01 3.13 2.04 -0.56 -3.23 117.51 120.36 1y77 h ILE 1408Ca 0.65 -1.99 -0.00 0.00 1.00 0.00 0.00 64.86 64.52 1y77 h ILE 1408Cb 1.44 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 1y77 h ILE 1408CO -0.73 0.62 -0.00 -0.07 0.00 0.00 0.00 178.15 177.96 1y77 h LEU 1409N 0.44 -0.01 -0.45 1.44 3.38 0.19 -3.23 115.31 117.07 1y77 h LEU 1409Ca -0.03 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.71 1y77 h LEU 1409Cb 1.31 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1y77 h LEU 1409CO 0.14 0.27 -0.39 -0.26 0.09 0.00 0.00 178.44 178.28 1y77 h PHE 1410N -0.29 -1.23 0.00 1.13 0.05 -0.75 0.26 116.94 116.11 1y77 h PHE 1410Ca -0.00 0.07 0.00 0.00 3.82 0.00 0.00 57.97 61.86 1y77 h PHE 1410Cb 0.28 0.60 0.00 0.00 2.00 0.00 0.00 35.95 38.83 1y77 h PHE 1410CO 0.02 -0.30 0.00 0.39 -0.18 0.00 0.00 178.31 178.24 1y77 n GLU 1411N -4.55 0.29 -0.10 1.51 1.02 -1.22 -1.93 120.64 115.67 1y77 n GLU 1411Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1y77 n GLU 1411Cb 0.21 -1.10 -0.09 0.00 -0.02 0.00 0.00 31.44 30.44 1y77 n GLU 1411CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1y77 n ALA 1412N 0.07 1.58 0.59 0.62 0.00 0.90 -3.94 120.51 120.32 1y77 n ALA 1412Ca 0.00 -0.85 0.12 0.00 0.00 0.00 0.00 53.44 52.71 1y77 n ALA 1412Cb 0.05 0.04 0.28 0.00 0.00 0.00 0.00 19.45 19.81 1y77 n ALA 1412CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1y77 n GLY 1413N 2.52 -1.56 0.08 0.00 0.00 -0.81 -0.70 105.19 104.71 1y77 n GLY 1413Ca -0.34 -0.14 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1y77 n GLY 1413CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y77 h ALA 1414N 2.51 -0.07 -0.75 4.61 0.00 -1.71 -3.20 119.26 120.64 1y77 h ALA 1414Ca 0.00 -0.27 -0.26 0.00 0.00 0.00 0.00 54.91 54.38 1y77 h ALA 1414Cb 0.75 0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.41 1y77 h ALA 1414CO 0.00 -0.24 0.31 -1.13 0.00 0.00 0.00 179.25 178.19 1y77 n SER 1415N -4.85 4.53 -3.67 0.00 3.41 -1.24 -4.72 113.62 107.08 1y77 n SER 1415Ca -0.09 -3.31 -0.25 0.00 -0.26 0.00 0.00 58.87 54.96 1y77 n SER 1415Cb 0.29 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1y77 n SER 1415CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y77 n ALA 1416N -0.38 -2.35 -1.52 7.33 0.00 -0.92 -4.81 120.51 117.85 1y77 n ALA 1416Ca 0.43 -0.30 -0.30 0.00 0.00 0.00 0.00 53.44 53.27 1y77 n ALA 1416Cb 1.41 -0.98 0.07 0.00 0.00 0.00 0.00 19.45 19.95 1y77 n ALA 1416CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1y77 s GLU 1417N -5.15 2.44 -0.05 0.00 2.02 0.12 -4.78 118.70 113.30 1y77 s GLU 1417Ca 0.12 0.83 0.05 0.00 0.02 0.00 0.00 54.97 55.99 1y77 s GLU 1417Cb -0.07 -1.94 -0.00 0.00 0.10 0.00 0.00 34.13 32.21 1y77 s GLU 1417CO 0.71 -1.42 -0.19 -1.17 0.02 0.00 0.00 175.26 173.21 1y77 s LEU 1418N -5.71 1.95 -0.22 1.80 2.96 -1.26 -2.08 118.68 116.13 1y77 s LEU 1418Ca 0.60 -0.40 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 1y77 s LEU 1418Cb -0.15 -1.08 0.00 0.00 0.50 0.00 0.00 46.19 45.47 1y77 s LEU 1418CO 0.55 0.17 -0.08 -0.62 -1.32 0.00 0.00 176.35 175.05 1y77 s ASP 1419N 0.04 4.06 0.42 3.68 -1.08 -0.46 -4.80 116.67 118.53 1y77 s ASP 1419Ca -0.05 -0.52 0.11 0.00 -0.52 0.00 0.00 52.55 51.57 1y77 s ASP 1419Cb -0.13 -1.68 0.95 0.00 -1.46 0.00 0.00 42.92 40.61 1y77 s ASP 1419CO 0.03 -0.03 2.01 0.44 0.52 0.00 0.00 175.17 178.14 1y77 h ASP 1420N 8.07 0.42 -5.05 -0.34 3.32 -1.90 -1.82 116.42 119.12 1y77 h ASP 1420Ca -0.41 -0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.39 1y77 h ASP 1420Cb 1.15 -0.09 0.15 0.00 0.22 0.00 0.00 39.33 40.76 1y77 h ASP 1420CO 0.61 0.28 -0.68 0.00 -1.72 0.00 0.00 179.24 177.73 1y77 n ARG 1422N -3.31 4.92 -2.86 0.00 1.74 -1.26 -4.88 116.66 111.01 1y77 n ARG 1422Ca -0.16 -0.04 -0.34 0.00 -0.77 0.00 0.00 57.85 56.54 1y77 n ARG 1422Cb 0.62 -0.45 -0.07 0.00 -1.02 0.00 0.00 32.46 31.54 1y77 n ARG 1422CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1y77 s GLY 1423N -0.71 2.46 0.07 -0.13 0.00 -1.26 -4.82 107.32 102.92 1y77 s GLY 1423Ca 0.00 0.37 -0.36 0.00 0.00 0.00 0.00 44.72 44.73 1y77 s GLY 1423CO 0.00 0.67 1.55 -2.08 0.00 0.00 0.00 173.10 173.24 1y77 h VAL 1424N 2.05 0.00 -0.43 1.40 2.07 -1.94 -3.03 116.25 116.38 1y77 h VAL 1424Ca -0.48 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1y77 h VAL 1424Cb 1.18 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 1y77 h VAL 1424CO 0.62 0.00 -0.36 0.28 0.02 0.00 0.00 177.57 178.13 1y77 h SER 1425N -1.15 -1.20 -0.26 0.57 0.02 -1.95 -2.54 113.55 107.05 1y77 h SER 1425Ca -0.10 0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1y77 h SER 1425Cb 0.93 0.55 -0.03 0.00 0.14 0.00 0.00 62.40 63.99 1y77 h SER 1425CO 0.07 -0.33 -0.15 -0.62 -1.14 0.00 0.00 176.83 174.65 1y77 n GLU 1426N -5.42 -0.11 -0.21 3.45 -0.58 -1.15 -0.67 120.64 115.94 1y77 n GLU 1426Ca 0.01 0.87 -0.03 0.00 -0.42 0.00 0.00 57.16 57.59 1y77 n GLU 1426Cb 0.34 -1.29 0.08 0.00 -0.57 0.00 0.00 31.44 30.00 1y77 n GLU 1426CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1y77 h ASN 1427N 0.00 0.54 -0.95 1.62 2.35 -1.40 -1.36 115.58 116.37 1y77 h ASN 1427Ca 0.04 0.02 0.20 0.00 -0.55 0.00 0.00 56.30 56.01 1y77 h ASN 1427Cb 0.11 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.31 1y77 h ASN 1427CO -0.24 0.36 0.61 0.58 -1.65 0.00 0.00 177.43 177.09 1y77 h VAL 1428N 0.67 0.69 0.00 2.81 2.07 -0.49 0.51 116.25 122.51 1y77 h VAL 1428Ca 0.27 -0.19 -0.07 0.00 0.82 0.00 0.00 66.70 67.53 1y77 h VAL 1428Cb 0.12 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1y77 h VAL 1428CO -0.15 0.10 -0.32 0.40 0.02 0.00 0.00 177.57 177.61 1y77 h ILE 1429N 0.55 0.64 0.00 4.57 2.04 0.01 -3.15 117.51 122.16 1y77 h ILE 1429Ca 0.51 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.78 1y77 h ILE 1429Cb 1.08 2.08 0.00 0.00 -0.74 0.00 0.00 36.82 39.24 1y77 h ILE 1429CO -0.25 0.32 -1.36 0.18 0.00 0.00 0.00 178.15 177.04 1y77 n LEU 1430N -3.29 0.50 -0.18 1.44 4.77 0.11 -4.97 117.00 115.39 1y77 n LEU 1430Ca 0.01 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1y77 n LEU 1430Cb 0.58 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1y77 n LEU 1430CO 0.37 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.97 1y77 n GLY 1431N 1.25 0.90 3.48 -0.72 0.00 0.14 -5.05 105.19 105.20 1y77 n GLY 1431Ca -0.01 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 1y77 n GLY 1431CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y77 s GLN 1432N -3.36 1.74 -0.31 1.61 -0.21 -0.78 -5.04 119.66 113.31 1y77 s GLN 1432Ca 0.00 -1.30 -0.29 0.00 0.02 0.00 0.00 55.36 53.80 1y77 s GLN 1432Cb 0.00 -2.04 -0.01 0.00 1.00 0.00 0.00 33.01 31.96 1y77 s GLN 1432CO 0.00 0.45 1.54 1.41 -2.12 0.00 0.00 175.29 176.57 1y77 s MET 1433N -2.39 3.66 0.50 2.91 1.75 -1.26 -4.31 119.30 120.15 1y77 s MET 1433Ca 0.20 1.34 -0.19 0.00 -1.25 0.00 0.00 55.69 55.78 1y77 s MET 1433Cb -0.10 -4.04 -0.08 0.00 2.84 0.00 0.00 34.83 33.46 1y77 s MET 1433CO 0.11 -1.46 1.02 0.00 -0.65 0.00 0.00 175.02 174.04 1y77 s ALA 1434N 5.47 2.89 -1.15 4.11 0.00 -1.26 -4.92 121.76 126.90 1y77 s ALA 1434Ca 0.68 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1y77 s ALA 1434Cb -0.20 -3.22 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 1y77 s ALA 1434CO 0.30 -0.33 1.95 -2.30 0.00 0.00 0.00 175.76 175.38 1y77 n PRO 1435N -1.15 1.45 -3.66 0.00 -0.02 -1.25 -4.27 135.00 126.10 1y77 n PRO 1435Ca 0.09 -2.36 -0.12 0.00 -2.02 0.00 0.00 63.50 59.09 1y77 n PRO 1435Cb 0.53 -3.69 -0.12 0.00 -0.02 0.00 0.00 33.50 30.19 1y77 n PRO 1435CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1y77 s ILE 1436N 11.24 -0.48 0.00 4.25 1.01 -1.24 -4.75 121.20 131.23 1y77 s ILE 1436Ca 0.69 0.25 0.00 0.00 0.00 0.00 0.00 60.65 61.59 1y77 s ILE 1436Cb 0.00 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.97 1y77 s ILE 1436CO 0.14 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1y77 n GLY 1437N 5.36 2.60 0.13 6.18 0.00 -0.83 -0.67 105.19 117.96 1y77 n GLY 1437Ca -0.07 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.18 1y77 n GLY 1437CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y77 n THR 1438N 0.00 0.00 -1.79 2.61 -1.04 -1.26 0.22 114.28 113.03 1y77 n THR 1438Ca 0.00 0.38 -0.04 0.00 -2.04 0.00 0.00 64.05 62.36 1y77 n THR 1438Cb 0.00 -0.75 0.14 0.00 -1.82 0.00 0.00 70.33 67.90 1y77 n THR 1438CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1y77 n GLY 1439N -0.91 5.34 1.61 3.41 0.00 0.15 -4.68 105.19 110.12 1y77 n GLY 1439Ca 0.01 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 1y77 n GLY 1439CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y77 n ALA 1440N -0.92 3.90 -3.88 4.61 0.00 0.13 -3.66 120.51 120.70 1y77 n ALA 1440Ca 0.26 -1.58 0.12 0.00 0.00 0.00 0.00 53.44 52.25 1y77 n ALA 1440Cb 0.80 -1.17 0.02 0.00 0.00 0.00 0.00 19.45 19.09 1y77 n ALA 1440CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1y77 n PHE 1441N 0.04 -0.79 -4.39 0.00 1.16 -1.26 -5.01 117.46 107.20 1y77 n PHE 1441Ca 0.27 -0.90 -0.21 0.00 -1.87 0.00 0.00 57.45 54.75 1y77 n PHE 1441Cb 1.06 0.43 -0.10 0.00 -1.61 0.00 0.00 39.48 39.26 1y77 n PHE 1441CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1y77 s ASP 1442N -3.45 2.96 -0.08 5.98 1.01 -1.26 -5.13 116.67 116.70 1y77 s ASP 1442Ca 0.25 -1.02 0.03 0.00 0.71 0.00 0.00 52.55 52.52 1y77 s ASP 1442Cb -0.02 -0.20 0.00 0.00 1.01 0.00 0.00 42.92 43.72 1y77 s ASP 1442CO 0.02 -0.09 -0.19 -0.69 0.21 0.00 0.00 175.17 174.44 1y77 s VAL 1443N -2.77 1.64 0.17 -1.27 1.01 -1.26 -5.14 120.40 112.79 1y77 s VAL 1443Ca 0.25 -0.78 0.06 0.00 0.00 0.00 0.00 61.98 61.51 1y77 s VAL 1443Cb -0.02 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.87 1y77 s VAL 1443CO 0.10 0.47 -0.13 -0.04 0.00 0.00 0.00 175.10 175.50 1y77 s MET 1444N 0.42 1.18 -0.58 2.72 -1.94 -1.26 -5.10 119.30 114.74 1y77 s MET 1444Ca -0.15 -1.49 -0.19 0.00 -1.71 0.00 0.00 55.69 52.15 1y77 s MET 1444Cb -0.16 -0.89 0.10 0.00 2.01 0.00 0.00 34.83 35.89 1y77 s MET 1444CO 0.06 0.14 0.69 0.42 -0.01 0.00 0.00 175.02 176.32 1y77 s ILE 1445N -3.01 4.84 -0.68 2.53 1.09 -1.26 -5.00 121.20 119.71 1y77 s ILE 1445Ca 0.18 -0.98 -0.27 0.00 -1.10 0.00 0.00 60.65 58.48 1y77 s ILE 1445Cb 0.00 -4.47 0.00 0.00 -1.06 0.00 0.00 42.46 36.94 1y77 s ILE 1445CO 0.04 -1.09 1.58 -0.62 -0.10 0.00 0.00 174.94 174.75 1y77 s ASP 1446N 3.56 5.70 0.51 3.58 3.68 -1.26 -4.82 116.67 127.62 1y77 s ASP 1446Ca 0.11 -0.08 0.23 0.00 2.13 0.00 0.00 52.55 54.94 1y77 s ASP 1446Cb -0.24 -2.54 1.33 0.00 -1.45 0.00 0.00 42.92 40.02 1y77 s ASP 1446CO 0.06 -2.12 2.01 -0.08 0.13 0.00 0.00 175.17 175.17 1y77 h GLU 1447N 12.50 0.06 0.43 4.34 4.22 -1.94 -1.63 114.58 132.56 1y77 h GLU 1447Ca -0.26 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.16 1y77 h GLU 1447Cb 1.10 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1y77 h GLU 1447CO 1.25 0.04 -0.21 0.93 -2.18 0.00 0.00 179.01 178.84 1y77 h GLU 1448N 0.06 -0.56 0.00 1.92 5.08 -2.03 -1.64 114.58 117.41 1y77 h GLU 1448Ca 0.23 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1y77 h GLU 1448Cb 0.85 0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1y77 h GLU 1448CO -0.02 -0.37 0.10 -1.13 -1.00 0.00 0.00 179.01 176.59 1y77 n SER 1449N -3.57 0.34 -1.02 1.42 3.41 -1.00 -1.16 113.62 112.05 1y77 n SER 1449Ca -0.07 0.61 -0.02 0.00 -0.26 0.00 0.00 58.87 59.13 1y77 n SER 1449Cb 0.23 -0.63 0.04 0.00 -0.26 0.00 0.00 64.21 63.59 1y77 n SER 1449CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1y77 n LEU 1450N -1.96 2.91 0.00 1.04 7.94 -0.62 -3.66 117.00 122.65 1y77 n LEU 1450Ca -0.01 -1.48 0.00 0.00 -1.11 0.00 0.00 56.01 53.41 1y77 n LEU 1450Cb 0.12 -0.54 0.00 0.00 0.53 0.00 0.00 43.42 43.52 1y77 n LEU 1450CO 0.06 0.49 -0.25 0.52 -1.11 0.00 0.00 177.39 177.10 1y77 n VAL 1451N 0.20 0.00 0.10 1.96 0.31 -0.30 -4.68 118.33 115.92 1y77 n VAL 1451Ca 0.07 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.41 1y77 n VAL 1451Cb 0.57 -0.94 0.05 0.00 -0.91 0.00 0.00 33.84 32.61 1y77 n VAL 1451CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1y77 n LYS 1452N -2.69 0.04 -3.30 5.55 5.02 -1.24 -3.56 118.16 117.97 1y77 n LYS 1452Ca 0.00 0.15 -0.42 0.00 -2.02 0.00 0.00 58.31 56.03 1y77 n LYS 1452Cb 0.25 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.74 1y77 n LYS 1452CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1y77 n TYR 1453N -1.16 4.07 0.00 2.13 0.53 -1.25 -4.86 117.16 116.62 1y77 n TYR 1453Ca 0.01 -3.57 0.00 0.00 -1.02 0.00 0.00 57.90 53.32 1y77 n TYR 1453Cb 0.01 -1.39 0.00 0.00 -1.03 0.00 0.00 39.34 36.93 1y77 n TYR 1453CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1y77 n MET 1454N 2.08 0.00 0.00 -0.72 0.00 -1.23 -5.02 117.12 112.22 1y77 n MET 1454Ca 0.25 0.00 0.12 0.00 0.00 0.00 0.00 57.70 58.06 1y77 n MET 1454Cb 0.37 0.00 0.69 0.00 0.00 0.00 0.00 33.22 34.28 1y77 n MET 1454CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62