#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x64 s SER 2 N 0.00 6.30 0.27 1.61 0.01 -1.26 -5.03 113.70 115.61 1x64 s SER 2 Ca 0.00 -0.07 -0.17 0.00 1.31 0.00 0.00 55.95 57.03 1x64 s SER 2 Cb 0.00 -2.26 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1x64 s SER 2 CO 0.00 -0.48 0.61 -0.94 0.41 0.00 0.00 173.24 172.84 1x64 s SER 3 N 1.76 -0.14 0.00 2.44 1.04 -1.26 -5.08 113.70 112.47 1x64 s SER 3 Ca 0.18 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1x64 s SER 3 Cb -0.16 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1x64 s SER 3 CO 0.13 -1.27 0.00 0.61 0.98 0.00 0.00 173.24 173.69 1x64 n GLY 4 N -0.43 -0.49 3.33 7.32 0.00 -1.26 -5.05 105.19 108.60 1x64 n GLY 4 Ca -0.03 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1x64 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x64 s SER 5 N -0.45 5.71 0.22 1.61 1.04 -1.26 -5.05 113.70 115.52 1x64 s SER 5 Ca 0.00 -1.24 -0.12 0.00 0.48 0.00 0.00 55.95 55.07 1x64 s SER 5 Cb 0.00 -2.01 -0.00 0.00 0.10 0.00 0.00 66.02 64.10 1x64 s SER 5 CO 0.00 -0.47 0.43 -0.44 0.98 0.00 0.00 173.24 173.74 1x64 s SER 6 N 1.87 -0.08 -0.58 7.02 0.01 -1.26 -5.12 113.70 115.56 1x64 s SER 6 Ca 0.02 -0.88 -0.18 0.00 1.31 0.00 0.00 55.95 56.22 1x64 s SER 6 Cb -0.21 0.55 0.10 0.00 0.21 0.00 0.00 66.02 66.67 1x64 s SER 6 CO 0.05 -1.07 0.66 -0.83 0.41 0.00 0.00 173.24 172.46 1x64 s GLY 7 N -3.00 1.83 -0.17 3.44 0.00 -1.26 -5.00 107.32 103.16 1x64 s GLY 7 Ca 0.21 -2.24 -0.03 0.00 0.00 0.00 0.00 44.72 42.65 1x64 s GLY 7 CO 0.06 1.50 0.04 0.14 0.00 0.00 0.00 173.10 174.84 1x64 s VAL 8 N 2.49 0.35 0.12 1.40 1.01 -1.26 -5.14 120.40 119.37 1x64 s VAL 8 Ca 0.10 -0.35 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1x64 s VAL 8 Cb -0.25 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1x64 s VAL 8 CO 0.06 -0.15 0.16 -0.13 0.00 0.00 0.00 175.10 175.04 1x64 s ARG 9 N 1.94 3.09 -0.00 2.72 0.52 -1.26 -4.98 118.95 120.97 1x64 s ARG 9 Ca 0.01 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.52 1x64 s ARG 9 Cb -0.16 -2.80 -0.00 0.00 0.52 0.00 0.00 34.95 32.51 1x64 s ARG 9 CO -0.08 0.54 0.02 0.00 0.02 0.00 0.00 175.30 175.81 1x64 s ALA 10 N -1.59 -0.05 1.08 2.13 0.00 -1.26 -5.16 121.76 116.90 1x64 s ALA 10 Ca 0.32 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 1x64 s ALA 10 Cb -0.11 0.00 0.23 0.00 0.00 0.00 0.00 23.12 23.23 1x64 s ALA 10 CO 0.25 -0.06 1.10 -1.25 0.00 0.00 0.00 175.76 175.80 1x64 s PRO 11 N -0.40 -0.20 -0.08 0.00 0.04 -1.26 -5.07 135.00 128.04 1x64 s PRO 11 Ca -0.04 0.30 0.04 0.00 0.04 0.00 0.00 61.00 61.34 1x64 s PRO 11 Cb -0.03 -1.68 -0.00 0.00 0.04 0.00 0.00 34.50 32.83 1x64 s PRO 11 CO -0.00 -3.11 -0.22 0.54 0.04 0.00 0.00 177.00 174.25 1x64 s VAL 12 N -2.98 1.85 0.25 -0.36 0.11 -1.26 -5.14 120.40 112.88 1x64 s VAL 12 Ca 0.67 -0.92 0.07 0.00 -2.93 0.00 0.00 61.98 58.87 1x64 s VAL 12 Cb -0.16 -1.60 -0.03 0.00 -1.53 0.00 0.00 36.38 33.06 1x64 s VAL 12 CO 0.57 0.52 0.24 0.28 -3.33 0.00 0.00 175.10 173.38 1x64 s THR 13 N 0.25 4.64 0.27 5.04 -1.32 -1.26 -5.07 115.64 118.18 1x64 s THR 13 Ca -0.13 -1.30 -0.30 0.00 -1.21 0.00 0.00 61.69 58.74 1x64 s THR 13 Cb -0.16 -3.51 -0.11 0.00 -1.51 0.00 0.00 72.50 67.21 1x64 s THR 13 CO 0.06 -0.34 1.56 -0.75 -2.21 0.00 0.00 174.62 172.94 1x64 s LYS 14 N -3.88 4.17 0.02 7.08 2.47 -1.26 -5.01 119.74 123.33 1x64 s LYS 14 Ca 0.33 2.49 -0.07 0.00 -1.56 0.00 0.00 55.97 57.17 1x64 s LYS 14 Cb -0.08 -3.06 -0.00 0.00 -1.46 0.00 0.00 37.83 33.23 1x64 s LYS 14 CO 0.26 -0.58 0.13 0.54 0.16 0.00 0.00 175.35 175.85 1x64 s VAL 15 N 0.16 0.10 -0.13 4.02 0.11 -1.26 -5.17 120.40 118.24 1x64 s VAL 15 Ca 0.63 -0.86 -0.16 0.00 -2.93 0.00 0.00 61.98 58.67 1x64 s VAL 15 Cb -0.46 -0.65 0.04 0.00 -1.53 0.00 0.00 36.38 33.78 1x64 s VAL 15 CO 0.44 -0.47 0.42 -1.38 -3.33 0.00 0.00 175.10 170.78 1x64 s HIS 16 N -1.96 -0.43 -5.00 1.54 -3.43 -1.26 -5.15 115.29 99.60 1x64 s HIS 16 Ca -0.10 0.99 0.00 0.00 -0.80 0.00 0.00 55.06 55.14 1x64 s HIS 16 Cb -0.05 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 31.27 1x64 s HIS 16 CO -0.01 -0.28 0.00 0.41 -2.00 0.00 0.00 174.74 172.86 1x64 n GLY 17 N 2.45 -0.31 0.00 -1.38 0.00 -1.26 -5.07 105.19 99.62 1x64 n GLY 17 Ca -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.84 1x64 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x64 n GLY 18 N 0.00 0.99 3.77 -0.02 0.00 -1.26 -5.12 105.19 103.55 1x64 n GLY 18 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1x64 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 19 N -1.72 3.25 0.00 4.61 0.00 -1.26 -4.80 121.76 121.84 1x64 s ALA 19 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1x64 s ALA 19 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 1x64 s ALA 19 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.34 1x64 n GLY 20 N 0.82 0.64 3.07 0.00 0.00 -1.26 -4.98 105.19 103.48 1x64 n GLY 20 Ca 0.01 -1.11 -0.17 0.00 0.00 0.00 0.00 46.02 44.74 1x64 n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x64 n SER 21 N 3.13 -4.70 -4.82 1.61 2.88 -1.26 -5.00 113.62 105.46 1x64 n SER 21 Ca 0.00 -0.43 -0.30 0.00 -1.33 0.00 0.00 58.87 56.81 1x64 n SER 21 Cb 0.00 -4.02 0.08 0.00 -0.75 0.00 0.00 64.21 59.53 1x64 n SER 21 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x64 s ALA 22 N -3.25 2.36 -0.21 -1.46 0.00 -1.26 -5.03 121.76 112.91 1x64 s ALA 22 Ca 0.36 -0.25 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 1x64 s ALA 22 Cb -0.16 -3.09 -0.13 0.00 0.00 0.00 0.00 23.12 19.74 1x64 s ALA 22 CO 0.56 -1.64 -0.04 1.04 0.00 0.00 0.00 175.76 175.68 1x64 n GLN 23 N -3.36 0.54 -0.37 0.00 3.00 -1.26 -4.50 117.38 111.44 1x64 n GLN 23 Ca 0.07 0.47 -0.09 0.00 -0.01 0.00 0.00 57.00 57.43 1x64 n GLN 23 Cb 0.57 -1.65 -0.08 0.00 0.00 0.00 0.00 30.24 29.07 1x64 n GLN 23 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95 1x64 n ARG 24 N -4.43 -0.38 -3.54 -1.09 1.85 -1.26 -4.74 116.66 103.06 1x64 n ARG 24 Ca -0.31 1.33 -0.11 0.00 -1.00 0.00 0.00 57.85 57.76 1x64 n ARG 24 Cb 0.63 -1.95 -0.04 0.00 -1.05 0.00 0.00 32.46 30.04 1x64 n ARG 24 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1x64 s MET 25 N -5.45 0.77 0.49 2.89 0.23 -1.26 -5.13 119.30 111.84 1x64 s MET 25 Ca -0.11 0.02 -0.22 0.00 -1.03 0.00 0.00 55.69 54.36 1x64 s MET 25 Cb 0.10 0.36 -0.07 0.00 -1.53 0.00 0.00 34.83 33.69 1x64 s MET 25 CO 0.55 -0.27 1.15 -1.25 -2.03 0.00 0.00 175.02 173.16 1x64 s PRO 26 N -1.77 3.63 -0.28 3.16 0.04 -1.26 -4.63 135.00 133.88 1x64 s PRO 26 Ca -0.02 1.72 -0.08 0.00 0.04 0.00 0.00 61.00 62.66 1x64 s PRO 26 Cb -0.01 -2.27 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 1x64 s PRO 26 CO -0.00 -0.65 0.09 -1.17 0.04 0.00 0.00 177.00 175.31 1x64 s LEU 27 N -3.28 3.76 -0.27 -3.56 1.98 -1.26 -2.10 118.68 113.95 1x64 s LEU 27 Ca 0.67 -0.49 -0.35 0.00 -2.89 0.00 0.00 54.13 51.06 1x64 s LEU 27 Cb -0.27 -1.92 -0.12 0.00 0.66 0.00 0.00 46.19 44.54 1x64 s LEU 27 CO 0.32 -0.14 2.05 0.00 -1.89 0.00 0.00 176.35 176.69 1x64 n ASP 29 N 8.54 0.00 -0.10 0.00 8.00 -1.18 0.14 116.55 131.95 1x64 n ASP 29 Ca 0.34 -0.56 -0.14 0.00 0.71 0.00 0.00 54.79 55.14 1x64 n ASP 29 Cb 0.24 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 1x64 n ASP 29 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1x64 n LYS 30 N -0.99 0.53 -0.32 -1.24 3.00 -1.26 -4.64 118.16 113.25 1x64 n LYS 30 Ca 0.13 0.29 0.07 0.00 -0.00 0.00 0.00 58.31 58.80 1x64 n LYS 30 Cb 0.06 -1.50 0.21 0.00 0.00 0.00 0.00 35.03 33.80 1x64 n LYS 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x64 n GLY 32 N 0.06 -0.18 3.12 0.00 0.00 0.37 -4.91 105.19 103.65 1x64 n GLY 32 Ca 0.17 0.13 -0.28 0.00 0.00 0.00 0.00 46.02 46.04 1x64 n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x64 s SER 33 N -3.84 2.35 0.32 1.61 0.15 -1.24 -4.83 113.70 108.23 1x64 s SER 33 Ca 0.23 -0.41 -0.25 0.00 0.70 0.00 0.00 55.95 56.23 1x64 s SER 33 Cb -0.14 -1.02 -0.16 0.00 -1.71 0.00 0.00 66.02 63.00 1x64 s SER 33 CO 0.89 0.10 0.42 0.61 1.20 0.00 0.00 173.24 176.46 1x64 n GLY 34 N 3.60 -1.92 3.28 9.45 0.00 -1.26 -2.90 105.19 115.43 1x64 n GLY 34 Ca -0.21 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.64 1x64 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x64 s ILE 35 N -1.32 2.99 -0.09 -0.61 1.01 -0.89 -4.85 121.20 117.44 1x64 s ILE 35 Ca 0.62 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 1x64 s ILE 35 Cb -0.75 -2.32 0.05 0.00 0.01 0.00 0.00 42.46 39.44 1x64 s ILE 35 CO 0.59 0.47 0.11 -0.69 0.00 0.00 0.00 174.94 175.42 1x64 s VAL 36 N 1.22 -0.18 0.00 2.92 1.01 -1.26 -4.47 120.40 119.64 1x64 s VAL 36 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1x64 s VAL 36 Cb -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 36.38 35.92 1x64 s VAL 36 CO -0.04 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.73 1x64 n GLY 37 N 5.31 3.22 3.12 4.51 0.00 -1.26 -5.01 105.19 115.07 1x64 n GLY 37 Ca -0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1x64 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x64 s ALA 38 N 0.00 -0.72 0.06 4.61 0.00 -1.26 -5.16 121.76 119.29 1x64 s ALA 38 Ca 0.00 1.16 0.01 0.00 0.00 0.00 0.00 51.96 53.13 1x64 s ALA 38 Cb 0.00 -0.78 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1x64 s ALA 38 CO 0.00 -0.28 -0.06 0.54 0.00 0.00 0.00 175.76 175.96 1x64 s VAL 39 N 1.46 0.50 -0.30 0.00 0.11 -1.26 -4.32 120.40 116.59 1x64 s VAL 39 Ca -0.08 -1.45 0.01 0.00 -2.93 0.00 0.00 61.98 57.53 1x64 s VAL 39 Cb -0.10 -1.06 0.09 0.00 -1.53 0.00 0.00 36.38 33.78 1x64 s VAL 39 CO -0.10 -0.65 0.06 -0.69 -3.33 0.00 0.00 175.10 170.39 1x64 s VAL 40 N -2.50 1.40 -0.19 2.04 1.01 0.36 -4.83 120.40 117.69 1x64 s VAL 40 Ca -0.01 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.29 1x64 s VAL 40 Cb -0.02 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1x64 s VAL 40 CO -0.03 -0.54 0.01 -0.75 0.00 0.00 0.00 175.10 173.79 1x64 s LYS 41 N 1.37 3.69 0.00 2.72 2.20 -1.26 0.54 119.74 129.01 1x64 s LYS 41 Ca 0.07 -0.49 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 1x64 s LYS 41 Cb -0.18 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1x64 s LYS 41 CO -0.16 0.10 0.00 0.00 -0.36 0.00 0.00 175.35 174.92 1x64 n ALA 42 N 4.01 0.00 -0.80 3.13 0.00 -1.17 -4.97 120.51 120.71 1x64 n ALA 42 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x64 n ALA 42 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1x64 n ALA 42 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x64 n ARG 43 N -0.54 0.00 -0.01 0.00 0.63 -1.26 -4.94 116.66 110.54 1x64 n ARG 43 Ca 0.00 0.00 -0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1x64 n ARG 43 Cb 0.00 -0.11 -0.02 0.00 0.45 0.00 0.00 32.46 32.78 1x64 n ARG 43 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1x64 n ASP 44 N -1.68 4.52 -4.91 6.15 9.92 -1.26 -5.05 116.55 124.23 1x64 n ASP 44 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 1x64 n ASP 44 Cb 0.00 0.74 0.05 0.00 -0.64 0.00 0.00 41.12 41.27 1x64 n ASP 44 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1x64 s LYS 45 N -2.08 2.61 0.06 -1.24 1.02 -1.26 -5.10 119.74 113.74 1x64 s LYS 45 Ca -0.01 -0.00 0.06 0.00 0.02 0.00 0.00 55.97 56.04 1x64 s LYS 45 Cb 0.01 -2.17 -0.03 0.00 -0.52 0.00 0.00 37.83 35.12 1x64 s LYS 45 CO 0.08 -1.00 -0.16 0.71 -0.92 0.00 0.00 175.35 174.06 1x64 s TYR 46 N -3.18 1.43 -0.06 3.18 1.51 -1.26 -3.04 117.35 115.93 1x64 s TYR 46 Ca 0.57 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 56.15 1x64 s TYR 46 Cb -0.11 -0.83 0.02 0.00 -0.11 0.00 0.00 41.96 40.93 1x64 s TYR 46 CO 0.46 0.08 0.22 1.03 -1.11 0.00 0.00 175.55 176.23 1x64 s ARG 47 N -1.41 0.37 1.00 -0.62 1.81 0.19 -3.11 118.95 117.18 1x64 s ARG 47 Ca 0.03 0.10 -0.13 0.00 -1.72 0.00 0.00 55.73 54.01 1x64 s ARG 47 Cb -0.09 0.17 0.10 0.00 -0.45 0.00 0.00 34.95 34.68 1x64 s ARG 47 CO 0.02 -0.07 0.58 0.72 -0.68 0.00 0.00 175.30 175.87 1x64 n HIS 48 N 2.42 -0.88 0.46 -0.53 8.25 -1.26 0.13 115.22 123.81 1x64 n HIS 48 Ca -0.16 0.21 0.08 0.00 -0.26 0.00 0.00 57.72 57.60 1x64 n HIS 48 Cb 0.57 -1.79 0.36 0.00 1.12 0.00 0.00 29.99 30.26 1x64 n HIS 48 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1x64 n PRO 49 N -2.74 0.06 -0.01 -0.41 -0.04 -1.26 -2.32 135.00 128.28 1x64 n PRO 49 Ca 0.06 0.30 -0.00 0.00 -0.04 0.00 0.00 63.50 63.82 1x64 n PRO 49 Cb 0.55 -1.61 -0.02 0.00 -0.04 0.00 0.00 33.50 32.38 1x64 n PRO 49 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x64 n GLU 50 N -1.71 2.62 0.06 0.54 0.28 -1.26 -4.66 120.64 116.51 1x64 n GLU 50 Ca 0.03 -0.01 -0.06 0.00 -0.16 0.00 0.00 57.16 56.96 1x64 n GLU 50 Cb 0.18 -1.06 0.11 0.00 1.43 0.00 0.00 31.44 32.11 1x64 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x64 n PHE 52 N -3.92 1.24 -3.86 0.00 7.35 -0.98 -4.84 117.46 112.44 1x64 n PHE 52 Ca -0.02 0.21 -0.07 0.00 -0.76 0.00 0.00 57.45 56.80 1x64 n PHE 52 Cb 0.59 -2.55 -0.02 0.00 0.35 0.00 0.00 39.48 37.85 1x64 n PHE 52 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x64 s VAL 53 N 10.38 0.00 1.02 -2.13 -7.23 -1.26 -3.06 120.40 118.13 1x64 s VAL 53 Ca 1.11 -1.01 -0.12 0.00 -1.81 0.00 0.00 61.98 60.14 1x64 s VAL 53 Cb -0.59 -2.07 0.20 0.00 0.56 0.00 0.00 36.38 34.48 1x64 s VAL 53 CO 0.37 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.23 1x64 n ALA 55 N -4.33 2.88 -0.02 0.00 0.00 -1.22 -2.93 120.51 114.88 1x64 n ALA 55 Ca 0.05 -0.60 -0.03 0.00 0.00 0.00 0.00 53.44 52.87 1x64 n ALA 55 Cb 0.56 -0.60 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 1x64 n ALA 55 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1x64 n ASP 56 N 0.42 3.72 -0.00 0.00 2.03 -1.26 -4.79 116.55 116.66 1x64 n ASP 56 Ca 0.09 -0.02 0.01 0.00 0.52 0.00 0.00 54.79 55.39 1x64 n ASP 56 Cb 0.40 -0.02 -0.01 0.00 -0.72 0.00 0.00 41.12 40.77 1x64 n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x64 n ASN 58 N -1.04 -3.65 -4.76 0.00 5.15 -1.15 -4.87 115.26 104.94 1x64 n ASN 58 Ca 0.00 -0.61 -0.38 0.00 -0.60 0.00 0.00 54.58 53.00 1x64 n ASN 58 Cb 0.03 -5.00 -0.06 0.00 -0.53 0.00 0.00 39.78 34.23 1x64 n ASN 58 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1x64 s LEU 59 N -6.75 4.35 -0.38 1.20 0.20 -1.26 -4.38 118.68 111.66 1x64 s LEU 59 Ca 0.23 0.85 -0.33 0.00 0.69 0.00 0.00 54.13 55.58 1x64 s LEU 59 Cb -0.10 -2.63 -0.11 0.00 -0.43 0.00 0.00 46.19 42.92 1x64 s LEU 59 CO 0.74 0.13 2.25 0.59 -0.29 0.00 0.00 176.35 179.77 1x64 n ASN 60 N 2.95 2.19 -1.06 3.68 4.13 -1.26 -0.95 115.26 124.93 1x64 n ASN 60 Ca -0.10 0.28 0.06 0.00 1.68 0.00 0.00 54.58 56.50 1x64 n ASN 60 Cb 0.52 -1.31 0.22 0.00 -1.54 0.00 0.00 39.78 37.66 1x64 n ASN 60 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1x64 n LEU 61 N 10.72 3.06 0.16 3.41 4.77 -1.17 -4.20 117.00 133.75 1x64 n LEU 61 Ca 0.41 -1.54 -0.06 0.00 -0.03 0.00 0.00 56.01 54.78 1x64 n LEU 61 Cb 0.28 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 1x64 n LEU 61 CO 0.75 0.53 0.37 0.50 -1.33 0.00 0.00 177.39 178.21 1x64 h LYS 62 N 2.45 -0.41 0.06 3.23 1.63 -1.87 -3.35 116.57 118.32 1x64 h LYS 62 Ca 0.00 0.03 -0.28 0.00 -0.85 0.00 0.00 60.65 59.55 1x64 h LYS 62 Cb 0.98 0.09 0.02 0.00 -0.60 0.00 0.00 32.23 32.72 1x64 h LYS 62 CO 0.15 -0.27 -1.14 -0.56 -3.45 0.00 0.00 179.45 174.18 1x64 h GLN 63 N -0.55 0.60 -6.96 1.90 3.07 -1.98 -3.46 115.11 107.74 1x64 h GLN 63 Ca -0.04 -0.74 -0.49 0.00 0.09 0.00 0.00 58.65 57.47 1x64 h GLN 63 Cb 0.32 0.23 0.03 0.00 0.08 0.00 0.00 27.48 28.15 1x64 h GLN 63 CO 0.07 1.32 0.45 0.15 0.09 0.00 0.00 178.83 180.91 1x64 s LYS 64 N -3.12 4.09 -0.53 0.06 1.02 -1.26 -4.89 119.74 115.11 1x64 s LYS 64 Ca -0.09 1.66 -0.28 0.00 0.02 0.00 0.00 55.97 57.28 1x64 s LYS 64 Cb 0.07 -2.59 -0.10 0.00 -0.52 0.00 0.00 37.83 34.69 1x64 s LYS 64 CO 0.92 -0.24 2.42 0.41 -0.92 0.00 0.00 175.35 177.94 1x64 n GLY 65 N 0.48 0.19 3.58 -3.33 0.00 -1.26 -4.72 105.19 100.14 1x64 n GLY 65 Ca 0.05 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.57 1x64 n GLY 65 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x64 s TYR 66 N 10.65 1.67 0.04 1.61 -0.85 -1.25 -3.97 117.35 125.25 1x64 s TYR 66 Ca 1.07 1.24 -0.05 0.00 -0.52 0.00 0.00 57.07 58.81 1x64 s TYR 66 Cb -0.47 -3.17 -0.01 0.00 0.38 0.00 0.00 41.96 38.69 1x64 s TYR 66 CO 0.34 -3.33 0.08 -0.06 -1.52 0.00 0.00 175.55 171.06 1x64 s PHE 67 N -2.65 0.24 -0.30 -3.49 0.40 -1.05 -4.94 117.98 106.19 1x64 s PHE 67 Ca 0.67 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 1x64 s PHE 67 Cb -0.22 -0.17 0.09 0.00 0.51 0.00 0.00 43.02 43.23 1x64 s PHE 67 CO 0.61 -0.38 0.04 -0.06 0.70 0.00 0.00 175.22 176.14 1x64 s PHE 68 N -2.84 2.64 -0.31 0.36 0.08 -1.26 -3.00 117.98 113.65 1x64 s PHE 68 Ca -0.03 -2.20 0.03 0.00 0.12 0.00 0.00 56.93 54.85 1x64 s PHE 68 Cb 0.00 -2.11 0.08 0.00 -0.57 0.00 0.00 43.02 40.42 1x64 s PHE 68 CO -0.06 -0.87 -0.01 0.08 -0.10 0.00 0.00 175.22 174.26 1x64 s VAL 69 N 1.30 2.33 -1.24 -0.44 1.01 0.83 -4.70 120.40 119.49 1x64 s VAL 69 Ca 0.06 -1.97 -0.07 0.00 0.00 0.00 0.00 61.98 60.00 1x64 s VAL 69 Cb -0.18 -2.55 0.01 0.00 0.00 0.00 0.00 36.38 33.66 1x64 s VAL 69 CO -0.14 -0.33 0.93 -0.62 0.00 0.00 0.00 175.10 174.94 1x64 n GLU 70 N 4.37 -6.43 0.00 2.72 -0.58 -1.26 -2.12 120.64 117.34 1x64 n GLU 70 Ca -0.05 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.44 1x64 n GLU 70 Cb 0.42 -5.48 0.00 0.00 -0.57 0.00 0.00 31.44 25.81 1x64 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x64 n GLY 71 N -1.75 2.35 3.85 0.62 0.00 -1.26 -4.99 105.19 104.01 1x64 n GLY 71 Ca -0.02 -0.09 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 1x64 n GLY 71 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1x64 s GLU 72 N 0.00 3.83 0.36 1.61 2.56 -0.90 -5.01 118.70 121.15 1x64 s GLU 72 Ca 0.00 0.88 0.04 0.00 0.00 0.00 0.00 54.97 55.89 1x64 s GLU 72 Cb 0.00 -2.12 -0.01 0.00 2.00 0.00 0.00 34.13 34.00 1x64 s GLU 72 CO 0.00 -0.37 0.53 -0.51 -0.56 0.00 0.00 175.26 174.35 1x64 s LEU 73 N -4.44 3.90 -0.05 2.70 1.43 -1.26 -0.12 118.68 120.83 1x64 s LEU 73 Ca 0.57 -0.00 -0.29 0.00 -1.03 0.00 0.00 54.13 53.38 1x64 s LEU 73 Cb -0.10 -2.90 0.10 0.00 0.03 0.00 0.00 46.19 43.31 1x64 s LEU 73 CO 0.39 -0.49 0.84 -0.31 0.23 0.00 0.00 176.35 177.01 1x64 s TYR 74 N -2.29 -0.46 0.81 0.29 2.02 -1.16 -3.43 117.35 113.13 1x64 s TYR 74 Ca 0.45 0.62 -0.12 0.00 -0.37 0.00 0.00 57.07 57.65 1x64 s TYR 74 Cb -0.10 0.48 0.08 0.00 -0.40 0.00 0.00 41.96 42.01 1x64 s TYR 74 CO 0.33 -0.52 1.11 0.00 -1.57 0.00 0.00 175.55 174.90 1x64 h GLU 76 N -1.11 0.66 0.01 0.00 4.81 -1.93 0.81 114.58 117.84 1x64 h GLU 76 Ca -0.47 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 58.72 1x64 h GLU 76 Cb 1.28 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1x64 h GLU 76 CO 0.61 0.44 -0.00 1.15 -0.73 0.00 0.00 179.01 180.47 1x64 h THR 77 N 0.68 0.00 0.31 0.32 2.02 -1.94 -1.70 112.91 112.60 1x64 h THR 77 Ca 0.59 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.76 1x64 h THR 77 Cb 1.02 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1x64 h THR 77 CO -0.38 0.00 -0.30 0.45 0.37 0.00 0.00 175.52 175.66 1x64 h HIS 78 N -0.02 -0.79 -0.66 3.16 3.86 -1.88 -2.85 115.15 115.97 1x64 h HIS 78 Ca -0.00 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 1x64 h HIS 78 Cb 0.01 0.31 -0.12 0.00 1.06 0.00 0.00 27.41 28.67 1x64 h HIS 78 CO 0.18 -0.43 -0.39 0.00 0.86 0.00 0.00 177.93 178.15 1x64 h ALA 79 N -0.07 -0.13 -0.93 2.45 0.00 0.52 0.28 119.26 121.38 1x64 h ALA 79 Ca -0.02 0.16 0.24 0.00 0.00 0.00 0.00 54.91 55.29 1x64 h ALA 79 Cb 0.57 0.90 -0.13 0.00 0.00 0.00 0.00 17.79 19.14 1x64 h ALA 79 CO -0.05 -0.73 0.44 0.00 0.00 0.00 0.00 179.25 178.91 1x64 h ARG 80 N -0.16 0.41 -0.02 0.00 3.08 -1.10 0.80 114.38 117.38 1x64 h ARG 80 Ca 0.23 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 1x64 h ARG 80 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 1x64 h ARG 80 CO -0.74 0.27 -0.23 0.00 -1.07 0.00 0.00 179.97 178.20 1x64 h ALA 81 N 1.73 1.59 0.00 0.04 0.00 -0.25 0.93 119.26 123.29 1x64 h ALA 81 Ca 0.59 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1x64 h ALA 81 Cb 1.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1x64 h ALA 81 CO -0.53 0.31 -0.08 0.00 0.00 0.00 0.00 179.25 178.95 1x64 h ARG 82 N 0.03 0.00 -0.42 0.00 3.08 0.12 -3.38 114.38 113.81 1x64 h ARG 82 Ca 0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1x64 h ARG 82 Cb 0.43 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1x64 h ARG 82 CO 0.03 0.00 -0.05 0.00 -1.07 0.00 0.00 179.97 178.88 1x64 h THR 83 N -0.69 1.24 -6.03 2.04 1.03 -0.65 -3.47 112.91 106.37 1x64 h THR 83 Ca 0.00 -1.03 -0.42 0.00 -0.01 0.00 0.00 66.41 64.94 1x64 h THR 83 Cb 0.08 0.98 0.06 0.00 -1.07 0.00 0.00 68.15 68.20 1x64 h THR 83 CO 0.00 0.35 -0.74 -0.24 -0.01 0.00 0.00 175.52 174.89 1x64 n SER 84 N -4.20 -4.68 0.00 0.00 2.88 0.32 -4.61 113.62 103.34 1x64 n SER 84 Ca 0.02 -0.68 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 1x64 n SER 84 Cb 0.32 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 59.29 1x64 n SER 84 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x64 n GLY 85 N -1.74 1.10 0.00 0.46 0.00 -1.26 -4.96 105.19 98.78 1x64 n GLY 85 Ca -0.05 -0.63 0.04 0.00 0.00 0.00 0.00 46.02 45.38 1x64 n GLY 85 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x64 n PRO 86 N 0.00 0.49 -0.24 1.61 -0.04 -1.26 -4.09 135.00 131.46 1x64 n PRO 86 Ca 0.00 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1x64 n PRO 86 Cb 0.00 -1.25 0.28 0.00 -0.04 0.00 0.00 33.50 32.49 1x64 n PRO 86 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x64 n SER 87 N -0.75 0.03 -0.10 3.54 2.88 -1.26 0.23 113.62 118.19 1x64 n SER 87 Ca 0.06 1.21 -0.11 0.00 -1.33 0.00 0.00 58.87 58.70 1x64 n SER 87 Cb 0.03 -0.49 -0.03 0.00 -0.75 0.00 0.00 64.21 62.96 1x64 n SER 87 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1x64 h SER 88 N 0.00 0.48 0.00 -3.46 4.64 -1.94 -3.50 113.55 109.76 1x64 h SER 88 Ca 0.49 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1x64 h SER 88 Cb 1.13 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1x64 h SER 88 CO -0.63 0.63 0.00 0.61 -0.87 0.00 0.00 176.83 176.57