#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d1t n LEU 16 N 0.00 0.00 -4.75 3.41 4.32 -1.26 -4.63 117.00 114.09 3d1t n LEU 16 Ca 0.00 0.94 -0.35 0.00 -0.02 0.00 0.00 56.01 56.58 3d1t n LEU 16 Cb 0.00 -1.41 0.06 0.00 -1.62 0.00 0.00 43.42 40.45 3d1t n LEU 16 CO 0.00 -0.99 0.80 -2.84 -1.22 0.00 0.00 177.39 173.14 3d1t s PRO 17 N 0.00 2.64 -0.23 3.23 0.02 -1.26 -4.44 135.00 134.96 3d1t s PRO 17 Ca 0.00 1.70 -0.07 0.00 0.02 0.00 0.00 61.00 62.65 3d1t s PRO 17 Cb 0.00 -1.90 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 3d1t s PRO 17 CO 0.00 -1.43 0.05 0.42 -0.33 0.00 0.00 177.00 175.70 3d1t s ILE 18 N -1.91 4.21 0.20 2.83 1.01 -0.17 -4.93 121.20 122.44 3d1t s ILE 18 Ca 0.74 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 61.06 3d1t s ILE 18 Cb -0.27 -2.95 0.15 0.00 0.01 0.00 0.00 42.46 39.40 3d1t s ILE 18 CO 0.39 0.37 1.69 0.78 0.00 0.00 0.00 174.94 178.18 3d1t h ASN 19 N 7.93 -0.10 -3.35 3.58 2.35 -1.90 -0.83 115.58 123.26 3d1t h ASN 19 Ca -0.38 0.12 -0.16 0.00 -0.55 0.00 0.00 56.30 55.33 3d1t h ASN 19 Cb 1.17 0.18 -0.28 0.00 0.05 0.00 0.00 38.32 39.45 3d1t h ASN 19 CO 0.60 -0.03 -0.41 -1.10 -1.65 0.00 0.00 177.43 174.84 3d1t s GLN 20 N -6.13 0.28 -0.01 0.81 -1.52 -1.26 -3.83 119.66 108.00 3d1t s GLN 20 Ca -0.13 0.61 -0.01 0.00 -1.95 0.00 0.00 55.36 53.88 3d1t s GLN 20 Cb 0.17 -0.06 0.00 0.00 -0.22 0.00 0.00 33.01 32.90 3d1t s GLN 20 CO 0.73 -0.15 0.03 0.54 -0.25 0.00 0.00 175.29 176.20 3d1t s VAL 21 N 1.21 -0.00 0.00 1.09 0.11 -0.03 -4.86 120.40 117.92 3d1t s VAL 21 Ca -0.09 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 3d1t s VAL 21 Cb -0.09 -0.06 0.00 0.00 -1.53 0.00 0.00 36.38 34.70 3d1t s VAL 21 CO -0.09 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 3d1t n GLY 22 N 3.10 -0.59 3.26 6.54 0.00 -1.26 -0.83 105.19 115.41 3d1t n GLY 22 Ca -0.13 0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 3d1t n GLY 22 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d1t s ILE 23 N -0.92 1.48 0.02 -0.61 -4.36 -1.26 -4.98 121.20 110.57 3d1t s ILE 23 Ca 0.00 -1.69 -0.00 0.00 -0.26 0.00 0.00 60.65 58.70 3d1t s ILE 23 Cb 0.00 -1.56 -0.02 0.00 1.25 0.00 0.00 42.46 42.13 3d1t s ILE 23 CO 0.00 -0.31 -0.02 -1.59 0.24 0.00 0.00 174.94 173.25 3d1t s LYS 24 N -2.47 0.33 -1.05 0.37 -2.85 -1.26 -4.38 119.74 108.43 3d1t s LYS 24 Ca 0.09 -0.63 -0.05 0.00 -1.00 0.00 0.00 55.97 54.38 3d1t s LYS 24 Cb -0.07 0.12 0.01 0.00 -2.06 0.00 0.00 37.83 35.83 3d1t s LYS 24 CO 0.04 -0.05 0.71 -0.25 0.10 0.00 0.00 175.35 175.90 3d1t n ASP 25 N 1.54 -5.11 -4.63 0.03 8.00 -0.54 -4.96 116.55 110.87 3d1t n ASP 25 Ca -0.24 -0.33 -0.43 0.00 0.71 0.00 0.00 54.79 54.51 3d1t n ASP 25 Cb 0.55 -3.81 -0.02 0.00 -0.02 0.00 0.00 41.12 37.82 3d1t n ASP 25 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3d1t s LEU 26 N -5.40 3.84 0.12 0.64 2.96 -0.90 -4.82 118.68 115.11 3d1t s LEU 26 Ca 0.35 1.06 -0.28 0.00 -0.22 0.00 0.00 54.13 55.04 3d1t s LEU 26 Cb -0.16 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 3d1t s LEU 26 CO 0.44 -1.08 0.89 -0.60 -1.32 0.00 0.00 176.35 174.68 3d1t s ARG 27 N 4.13 4.66 -0.23 1.98 3.52 -1.26 -0.37 118.95 131.38 3d1t s ARG 27 Ca 0.53 1.33 -0.14 0.00 -0.13 0.00 0.00 55.73 57.32 3d1t s ARG 27 Cb -0.14 -3.35 0.07 0.00 -1.56 0.00 0.00 34.95 29.97 3d1t s ARG 27 CO 0.23 0.31 0.57 0.12 -0.81 0.00 0.00 175.30 175.72 3d1t s PHE 28 N -0.29 -0.83 0.26 5.12 5.36 0.25 -4.98 117.98 122.88 3d1t s PHE 28 Ca 0.43 1.73 -0.30 0.00 -0.96 0.00 0.00 56.93 57.83 3d1t s PHE 28 Cb -0.23 0.43 -0.10 0.00 -0.34 0.00 0.00 43.02 42.78 3d1t s PHE 28 CO 0.28 -0.42 1.48 -2.14 -1.46 0.00 0.00 175.22 172.96 3d1t s PRO 29 N 1.31 4.22 0.11 10.12 0.02 -1.26 -0.33 135.00 149.19 3d1t s PRO 29 Ca -0.08 2.39 0.01 0.00 0.02 0.00 0.00 61.00 63.34 3d1t s PRO 29 Cb -0.06 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.34 3d1t s PRO 29 CO -0.14 -0.48 -0.04 0.96 -0.33 0.00 0.00 177.00 176.97 3d1t s ILE 30 N -0.03 0.63 -0.12 2.83 -4.36 -0.50 -4.86 121.20 114.78 3d1t s ILE 30 Ca 0.60 -1.94 0.02 0.00 -0.26 0.00 0.00 60.65 59.07 3d1t s ILE 30 Cb -0.44 -1.79 -0.01 0.00 1.25 0.00 0.00 42.46 41.48 3d1t s ILE 30 CO 0.45 -0.78 -0.18 -0.89 0.24 0.00 0.00 174.94 173.78 3d1t s THR 31 N -3.67 2.60 -0.05 8.37 2.01 -1.26 -1.35 115.64 122.28 3d1t s THR 31 Ca 0.15 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.38 3d1t s THR 31 Cb 0.06 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 3d1t s THR 31 CO -0.03 0.54 -0.24 -0.22 -0.69 0.00 0.00 174.62 173.98 3d1t s LEU 32 N 0.34 2.05 -0.19 4.42 2.96 0.12 0.20 118.68 128.58 3d1t s LEU 32 Ca -0.15 -0.49 -0.00 0.00 -0.22 0.00 0.00 54.13 53.27 3d1t s LEU 32 Cb -0.17 -1.32 0.01 0.00 0.50 0.00 0.00 46.19 45.22 3d1t s LEU 32 CO 0.07 0.24 -0.16 -0.75 -1.32 0.00 0.00 176.35 174.44 3d1t s LYS 33 N -0.18 3.11 0.47 1.98 2.20 0.11 -0.41 119.74 127.01 3d1t s LYS 33 Ca -0.02 -0.77 0.03 0.00 -0.36 0.00 0.00 55.97 54.84 3d1t s LYS 33 Cb -0.13 -2.69 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 3d1t s LYS 33 CO 0.03 -0.19 0.02 0.95 -0.36 0.00 0.00 175.35 175.80 3d1t s THR 34 N 1.31 1.24 0.31 3.43 -4.23 0.38 -4.57 115.64 113.51 3d1t s THR 34 Ca 0.04 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.62 3d1t s THR 34 Cb -0.13 -2.37 0.31 0.00 1.34 0.00 0.00 72.50 71.65 3d1t s THR 34 CO -0.09 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.66 3d1t h ALA 35 N 1.52 1.57 -0.35 3.99 0.00 -2.01 -1.22 119.26 122.75 3d1t h ALA 35 Ca -0.43 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3d1t h ALA 35 Cb 1.29 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3d1t h ALA 35 CO 0.73 -0.45 0.00 0.39 0.00 0.00 0.00 179.25 179.92 3d1t n GLU 36 N -5.10 1.94 0.00 0.00 1.02 -1.26 -5.01 120.64 112.23 3d1t n GLU 36 Ca 0.25 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.95 3d1t n GLU 36 Cb 0.77 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.84 3d1t n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3d1t n GLY 37 N 1.18 0.69 3.40 0.62 0.00 -0.46 -5.09 105.19 105.52 3d1t n GLY 37 Ca 0.15 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 3d1t n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d1t s THR 38 N -1.28 2.53 0.14 2.61 2.01 -1.26 -0.47 115.64 119.92 3d1t s THR 38 Ca 0.00 -1.10 -0.07 0.00 0.31 0.00 0.00 61.69 60.83 3d1t s THR 38 Cb 0.00 -1.99 -0.01 0.00 0.01 0.00 0.00 72.50 70.51 3d1t s THR 38 CO 0.00 0.47 0.22 0.00 -0.69 0.00 0.00 174.62 174.62 3d1t s GLN 39 N -1.01 1.03 -0.16 4.92 -2.07 0.45 -4.97 119.66 117.84 3d1t s GLN 39 Ca 0.12 -1.16 -0.02 0.00 -1.82 0.00 0.00 55.36 52.48 3d1t s GLN 39 Cb -0.10 0.34 -0.02 0.00 -1.09 0.00 0.00 33.01 32.14 3d1t s GLN 39 CO 0.02 -0.35 -0.08 -1.12 -1.32 0.00 0.00 175.29 172.44 3d1t s SER 40 N -2.95 4.34 0.21 12.60 0.01 -1.26 0.15 113.70 126.80 3d1t s SER 40 Ca 0.15 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.17 3d1t s SER 40 Cb 0.04 -1.70 -0.02 0.00 0.21 0.00 0.00 66.02 64.56 3d1t s SER 40 CO -0.03 0.12 0.19 1.07 0.41 0.00 0.00 173.24 175.01 3d1t n THR 41 N 3.82 0.00 -4.64 1.44 5.66 -0.46 -5.01 114.28 115.10 3d1t n THR 41 Ca -0.18 -1.49 -0.31 0.00 -3.05 0.00 0.00 64.05 59.02 3d1t n THR 41 Cb 0.52 0.76 -0.17 0.00 -1.55 0.00 0.00 70.33 69.90 3d1t n THR 41 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3d1t s VAL 42 N -2.83 1.84 0.17 1.08 1.01 -1.26 -1.41 120.40 119.00 3d1t s VAL 42 Ca 0.24 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3d1t s VAL 42 Cb 0.01 -1.64 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3d1t s VAL 42 CO 0.17 0.51 0.08 0.00 0.00 0.00 0.00 175.10 175.86 3d1t s ALA 43 N 0.84 3.42 -0.16 5.51 0.00 0.55 -4.30 121.76 127.60 3d1t s ALA 43 Ca -0.08 -1.29 -0.06 0.00 0.00 0.00 0.00 51.96 50.54 3d1t s ALA 43 Cb -0.15 -1.21 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3d1t s ALA 43 CO -0.01 0.48 0.02 1.03 0.00 0.00 0.00 175.76 177.29 3d1t s ARG 44 N -3.07 3.80 -0.08 0.00 0.52 0.42 -0.59 118.95 119.95 3d1t s ARG 44 Ca 0.30 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 3d1t s ARG 44 Cb -0.10 -3.08 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 3d1t s ARG 44 CO 0.21 0.30 -0.13 -0.51 0.02 0.00 0.00 175.30 175.19 3d1t s LEU 45 N 0.26 2.75 0.35 2.53 1.43 0.50 -1.00 118.68 125.51 3d1t s LEU 45 Ca 0.01 -0.23 0.09 0.00 -1.03 0.00 0.00 54.13 52.96 3d1t s LEU 45 Cb -0.13 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 3d1t s LEU 45 CO 0.01 0.28 -0.07 -0.89 0.23 0.00 0.00 176.35 175.92 3d1t s THR 46 N -0.36 2.11 0.00 5.49 2.01 0.29 -1.47 115.64 123.72 3d1t s THR 46 Ca 0.04 -2.15 0.00 0.00 0.31 0.00 0.00 61.69 59.88 3d1t s THR 46 Cb -0.12 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.68 3d1t s THR 46 CO 0.02 -0.16 0.00 0.35 -0.69 0.00 0.00 174.62 174.14 3d1t n THR 48 N -0.81 0.00 -4.13 -0.82 -2.24 -0.48 -0.18 114.28 105.62 3d1t n THR 48 Ca -0.05 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.64 3d1t n THR 48 Cb 0.64 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.77 3d1t n THR 48 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3d1t s VAL 49 N -2.00 0.39 0.22 2.28 -7.23 -0.01 -0.95 120.40 113.10 3d1t s VAL 49 Ca 0.00 -1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 58.00 3d1t s VAL 49 Cb 0.00 -1.68 -0.09 0.00 0.56 0.00 0.00 36.38 35.18 3d1t s VAL 49 CO 0.00 -0.86 1.26 -0.47 -0.31 0.00 0.00 175.10 174.72 3d1t s TYR 50 N -3.82 3.30 -0.28 2.82 5.04 -0.50 -0.85 117.35 123.06 3d1t s TYR 50 Ca 0.12 1.33 -0.02 0.00 -2.44 0.00 0.00 57.07 56.06 3d1t s TYR 50 Cb 0.07 -3.54 0.04 0.00 0.35 0.00 0.00 41.96 38.88 3d1t s TYR 50 CO -0.06 -1.60 -0.02 -1.17 -1.34 0.00 0.00 175.55 171.36 3d1t s LEU 51 N -0.45 3.62 0.64 6.97 2.96 -0.32 -4.65 118.68 127.45 3d1t s LEU 51 Ca 0.54 -1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 53.16 3d1t s LEU 51 Cb -0.35 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3d1t s LEU 51 CO 0.40 -0.21 0.72 -2.65 -1.32 0.00 0.00 176.35 173.29 3d1t n PRO 52 N 4.64 0.58 -0.30 0.98 -0.02 -1.26 -1.00 135.00 138.61 3d1t n PRO 52 Ca -0.14 0.24 0.13 0.00 -2.02 0.00 0.00 63.50 61.71 3d1t n PRO 52 Cb 0.45 -1.94 0.31 0.00 -0.02 0.00 0.00 33.50 32.29 3d1t n PRO 52 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d1t h ALA 53 N 0.11 1.39 -0.58 3.55 0.00 -1.83 -2.57 119.26 119.32 3d1t h ALA 53 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3d1t h ALA 53 Cb 1.37 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.37 3d1t h ALA 53 CO 0.47 -0.40 0.00 -0.85 0.00 0.00 0.00 179.25 178.47 3d1t n GLU 54 N -5.11 2.92 -3.18 0.00 0.28 -1.26 -4.50 120.64 109.79 3d1t n GLU 54 Ca 0.22 -2.51 -0.39 0.00 -0.16 0.00 0.00 57.16 54.32 3d1t n GLU 54 Cb 0.68 -1.53 -0.05 0.00 1.43 0.00 0.00 31.44 31.96 3d1t n GLU 54 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 177.13 175.83 3d1t s GLN 55 N -1.18 4.36 0.12 3.44 0.74 -0.97 -4.98 119.66 121.19 3d1t s GLN 55 Ca 0.41 0.71 0.07 0.00 0.05 0.00 0.00 55.36 56.59 3d1t s GLN 55 Cb 0.23 -3.40 -0.19 0.00 1.10 0.00 0.00 33.01 30.74 3d1t s GLN 55 CO 0.26 0.22 1.29 -0.22 -0.55 0.00 0.00 175.29 176.29 3d1t h LYS 56 N 6.26 0.00 -2.92 1.67 3.64 -1.88 -3.45 116.57 119.91 3d1t h LYS 56 Ca -0.43 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.98 3d1t h LYS 56 Cb 1.19 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.92 3d1t h LYS 56 CO 0.73 0.99 0.25 0.20 -2.27 0.00 0.00 179.45 179.35 3d1t s GLY 57 N -4.70 -0.40 0.21 5.01 0.00 -1.26 -5.18 107.32 101.00 3d1t s GLY 57 Ca 0.01 0.21 0.03 0.00 0.00 0.00 0.00 44.72 44.97 3d1t s GLY 57 CO 0.82 0.07 0.26 -0.37 0.00 0.00 0.00 173.10 173.88 3d1t n THR 58 N -0.40 0.00 -4.23 0.90 5.66 -1.26 -5.09 114.28 109.86 3d1t n THR 58 Ca -0.11 -0.71 -0.24 0.00 -3.05 0.00 0.00 64.05 59.93 3d1t n THR 58 Cb 0.62 -0.71 -0.08 0.00 -1.55 0.00 0.00 70.33 68.61 3d1t n THR 58 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 3d1t s HIS 59 N -0.44 2.62 0.00 1.09 0.09 -1.26 -5.12 115.29 112.26 3d1t s HIS 59 Ca 0.19 -0.43 0.00 0.00 -0.00 0.00 0.00 55.06 54.82 3d1t s HIS 59 Cb -0.02 -1.59 0.00 0.00 -0.00 0.00 0.00 32.58 30.97 3d1t s HIS 59 CO 0.12 0.40 0.00 -1.13 -0.00 0.00 0.00 174.74 174.13 3d1t n SER 61 N -1.05 0.00 -0.05 1.40 3.41 -1.26 -4.19 113.62 111.88 3d1t n SER 61 Ca -0.03 0.00 0.01 0.00 -0.26 0.00 0.00 58.87 58.58 3d1t n SER 61 Cb 0.62 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.88 3d1t n SER 61 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3d1t h ARG 62 N 0.00 0.64 -0.32 4.33 3.08 -1.99 -0.96 114.38 119.16 3d1t h ARG 62 Ca 0.00 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.00 3d1t h ARG 62 Cb 0.00 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 29.89 3d1t h ARG 62 CO 0.00 0.54 0.08 0.74 -1.07 0.00 0.00 179.97 180.26 3d1t h PHE 63 N 0.64 0.14 0.07 3.04 0.04 -2.00 0.11 116.94 118.97 3d1t h PHE 63 Ca 0.15 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.94 3d1t h PHE 63 Cb 0.15 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.29 3d1t h PHE 63 CO 0.01 0.04 -0.03 0.28 -0.60 0.00 0.00 178.31 178.00 3d1t h VAL 64 N 0.20 1.14 -0.96 -0.55 2.07 -1.88 -3.05 116.25 113.23 3d1t h VAL 64 Ca 0.15 -0.77 0.20 0.00 0.82 0.00 0.00 66.70 67.10 3d1t h VAL 64 Cb 0.15 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.48 3d1t h VAL 64 CO -0.18 0.19 0.61 0.00 0.02 0.00 0.00 177.57 178.21 3d1t h ALA 65 N 0.45 1.99 0.00 1.67 0.00 -0.97 -0.63 119.26 121.76 3d1t h ALA 65 Ca -0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d1t h ALA 65 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3d1t h ALA 65 CO 0.02 -0.31 0.00 -0.11 0.00 0.00 0.00 179.25 178.85 3d1t n LEU 66 N -4.61 0.10 0.00 0.00 7.94 0.36 -1.91 117.00 118.88 3d1t n LEU 66 Ca 0.21 -0.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 3d1t n LEU 66 Cb 0.65 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 44.55 3d1t n LEU 66 CO 0.27 0.03 0.00 -0.62 -1.11 0.00 0.00 177.39 175.95 3d1t n GLU 68 N 0.39 0.00 0.09 1.96 -0.58 -0.25 -2.86 120.64 119.40 3d1t n GLU 68 Ca 0.00 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.86 3d1t n GLU 68 Cb 0.03 0.00 0.20 0.00 -0.57 0.00 0.00 31.44 31.10 3d1t n GLU 68 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 3d1t h GLN 69 N 0.00 0.00 -4.06 3.49 4.15 -1.64 -3.42 115.11 113.63 3d1t h GLN 69 Ca 0.00 0.00 -0.76 0.00 0.77 0.00 0.00 58.65 58.66 3d1t h GLN 69 Cb 0.00 0.00 -0.24 0.00 0.21 0.00 0.00 27.48 27.45 3d1t h GLN 69 CO 0.00 0.00 -0.12 -1.58 -1.93 0.00 0.00 178.83 175.20 3d1t s HIS 70 N -3.18 3.36 -0.52 3.99 2.46 -1.13 -4.88 115.29 115.38 3d1t s HIS 70 Ca 0.06 -1.45 0.02 0.00 0.47 0.00 0.00 55.06 54.17 3d1t s HIS 70 Cb 0.12 -3.82 0.47 0.00 -0.13 0.00 0.00 32.58 29.22 3d1t s HIS 70 CO 0.70 -1.03 1.74 2.41 -2.47 0.00 0.00 174.74 176.09 3d1t n THR 71 N 4.96 3.21 -3.86 0.89 -1.04 -1.26 -4.98 114.28 112.19 3d1t n THR 71 Ca -0.07 -3.26 -0.26 0.00 -2.04 0.00 0.00 64.05 58.42 3d1t n THR 71 Cb 0.42 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.83 3d1t n THR 71 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3d1t s GLU 72 N -3.70 3.46 0.15 -2.82 2.02 -1.26 -5.05 118.70 111.50 3d1t s GLU 72 Ca 0.59 -0.54 -0.31 0.00 0.02 0.00 0.00 54.97 54.73 3d1t s GLU 72 Cb 0.47 -2.91 -0.10 0.00 0.10 0.00 0.00 34.13 31.69 3d1t s GLU 72 CO 0.01 0.47 1.55 0.08 0.02 0.00 0.00 175.26 177.39 3d1t s VAL 73 N -1.82 2.77 0.25 2.63 1.01 -1.26 -4.79 120.40 119.19 3d1t s VAL 73 Ca 0.36 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.56 3d1t s VAL 73 Cb -0.11 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.85 3d1t s VAL 73 CO 0.29 0.03 1.04 -0.22 0.00 0.00 0.00 175.10 176.24 3d1t s LEU 74 N 1.33 4.58 -0.09 3.92 2.96 0.13 -4.84 118.68 126.69 3d1t s LEU 74 Ca 0.70 2.13 -0.31 0.00 -0.22 0.00 0.00 54.13 56.42 3d1t s LEU 74 Cb -0.42 -3.62 0.12 0.00 0.50 0.00 0.00 46.19 42.77 3d1t s LEU 74 CO 0.31 -0.03 1.02 -0.62 -1.32 0.00 0.00 176.35 175.71 3d1t s ASP 75 N -0.91 -0.27 0.23 3.68 2.15 -1.26 -0.71 116.67 119.57 3d1t s ASP 75 Ca 0.44 0.02 -0.06 0.00 0.43 0.00 0.00 52.55 53.37 3d1t s ASP 75 Cb -0.29 0.28 0.41 0.00 -0.30 0.00 0.00 42.92 43.02 3d1t s ASP 75 CO 0.37 -0.45 1.69 0.15 -0.17 0.00 0.00 175.17 176.76 3d1t h PHE 76 N 2.03 0.25 -0.41 -5.34 3.57 -1.95 -0.17 116.94 114.92 3d1t h PHE 76 Ca -0.17 0.04 -0.15 0.00 3.53 0.00 0.00 57.97 61.22 3d1t h PHE 76 Cb 1.21 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3d1t h PHE 76 CO 0.27 -0.07 -0.34 0.00 -2.23 0.00 0.00 178.31 175.94 3d1t h ALA 77 N 1.58 0.63 0.00 2.41 0.00 -1.98 -2.84 119.26 119.06 3d1t h ALA 77 Ca 0.39 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 3d1t h ALA 77 Cb 0.64 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3d1t h ALA 77 CO -0.48 0.68 -0.34 0.37 0.00 0.00 0.00 179.25 179.47 3d1t h GLN 78 N 0.78 0.00 -0.08 0.00 5.75 -1.46 -1.22 115.11 118.88 3d1t h GLN 78 Ca 0.07 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.37 3d1t h GLN 78 Cb 0.92 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.47 3d1t h GLN 78 CO 0.09 0.34 -0.78 1.25 -2.65 0.00 0.00 178.83 177.07 3d1t h LEU 79 N 0.00 0.61 -0.27 -2.39 5.85 -0.96 -0.08 115.31 118.07 3d1t h LEU 79 Ca -0.00 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3d1t h LEU 79 Cb 0.64 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3d1t h LEU 79 CO 0.04 1.18 0.15 -0.74 -0.34 0.00 0.00 178.44 178.73 3d1t h HIS 80 N 0.34 0.38 -0.39 1.25 2.76 -1.16 -1.73 115.15 116.59 3d1t h HIS 80 Ca -0.05 -0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 57.97 3d1t h HIS 80 Cb 1.38 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 30.21 3d1t h HIS 80 CO 0.06 0.33 -0.34 0.07 -1.30 0.00 0.00 177.93 176.74 3d1t h ARG 81 N 0.32 0.89 -0.86 5.26 0.11 -1.11 -2.29 114.38 116.71 3d1t h ARG 81 Ca 0.10 -0.44 0.09 0.00 0.10 0.00 0.00 59.98 59.83 3d1t h ARG 81 Cb 0.08 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.08 3d1t h ARG 81 CO -0.01 1.09 0.50 -0.07 0.10 0.00 0.00 179.97 181.57 3d1t h LEU 82 N 0.74 0.73 -0.37 0.08 3.38 -0.84 -0.24 115.31 118.79 3d1t h LEU 82 Ca 0.07 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.91 3d1t h LEU 82 Cb 0.91 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3d1t h LEU 82 CO 0.08 0.42 -0.57 0.74 0.09 0.00 0.00 178.44 179.21 3d1t h THR 83 N 0.85 1.29 -0.26 0.22 2.02 -0.99 -3.14 112.91 112.90 3d1t h THR 83 Ca 0.41 -1.78 -0.10 0.00 0.77 0.00 0.00 66.41 65.71 3d1t h THR 83 Cb 0.36 1.71 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 3d1t h THR 83 CO -0.24 0.57 -0.24 0.00 0.37 0.00 0.00 175.52 175.98 3d1t h ALA 84 N 0.79 0.38 0.00 6.16 0.00 -1.24 -2.51 119.26 122.85 3d1t h ALA 84 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3d1t h ALA 84 Cb 1.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3d1t h ALA 84 CO 0.12 0.35 0.00 -1.91 0.00 0.00 0.00 179.25 177.81 3d1t n GLU 85 N -4.34 0.10 0.00 0.00 2.13 -0.12 -2.04 120.64 116.37 3d1t n GLU 85 Ca -0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.78 3d1t n GLU 85 Cb 0.43 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.88 3d1t n GLU 85 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3d1t n VAL 87 N 0.72 0.00 -0.06 6.31 0.24 -0.95 -1.22 118.33 123.37 3d1t n VAL 87 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 3d1t n VAL 87 Cb 0.04 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.34 3d1t n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d1t h ALA 88 N 0.00 0.24 -0.66 2.33 0.00 -1.66 0.16 119.26 119.67 3d1t h ALA 88 Ca 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3d1t h ALA 88 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3d1t h ALA 88 CO 0.00 0.15 0.27 1.25 0.00 0.00 0.00 179.25 180.91 3d1t h LEU 89 N 0.05 0.91 -0.84 0.00 5.85 -1.42 -2.04 115.31 117.82 3d1t h LEU 89 Ca 0.03 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3d1t h LEU 89 Cb 0.71 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.50 3d1t h LEU 89 CO 0.04 0.83 0.00 0.18 -0.34 0.00 0.00 178.44 179.15 3d1t n LEU 90 N -4.41 1.23 -3.60 2.25 4.32 -1.23 -4.93 117.00 110.63 3d1t n LEU 90 Ca 0.05 -0.58 -0.23 0.00 -0.02 0.00 0.00 56.01 55.23 3d1t n LEU 90 Cb 0.17 -0.13 0.04 0.00 -1.62 0.00 0.00 43.42 41.89 3d1t n LEU 90 CO 0.39 0.29 -0.04 0.47 -1.22 0.00 0.00 177.39 177.28 3d1t n ASP 91 N 0.11 -3.40 -4.28 -1.43 8.00 -0.77 -4.92 116.55 109.87 3d1t n ASP 91 Ca 0.11 -0.85 -0.15 0.00 0.71 0.00 0.00 54.79 54.61 3d1t n ASP 91 Cb 0.22 -4.14 -0.10 0.00 -0.02 0.00 0.00 41.12 37.08 3d1t n ASP 91 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3d1t s SER 92 N -3.93 1.84 0.35 -2.24 0.15 0.51 -5.03 113.70 105.34 3d1t s SER 92 Ca 0.22 -1.08 0.18 0.00 0.70 0.00 0.00 55.95 55.98 3d1t s SER 92 Cb -0.06 -0.01 0.19 0.00 -1.71 0.00 0.00 66.02 64.43 3d1t s SER 92 CO 0.81 -0.38 1.52 -0.09 1.20 0.00 0.00 173.24 176.29 3d1t h ARG 93 N 2.67 0.00 -2.97 5.44 2.43 -1.84 -3.42 114.38 116.69 3d1t h ARG 93 Ca -0.37 0.00 0.04 0.00 -0.81 0.00 0.00 59.98 58.84 3d1t h ARG 93 Cb 1.20 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.68 3d1t h ARG 93 CO 0.64 0.28 0.23 0.00 -1.51 0.00 0.00 179.97 179.61 3d1t s ALA 94 N -3.07 -1.37 0.00 2.80 0.00 -1.26 -2.35 121.76 116.50 3d1t s ALA 94 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3d1t s ALA 94 Cb 0.06 0.85 0.00 0.00 0.00 0.00 0.00 23.12 24.04 3d1t s ALA 94 CO 0.71 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.94 3d1t n GLY 95 N -0.43 0.50 2.93 0.00 0.00 -1.26 -1.41 105.19 105.52 3d1t n GLY 95 Ca -0.09 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 3d1t n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d1t s LYS 96 N -2.00 0.32 -0.16 1.61 1.02 -0.13 -4.36 119.74 116.05 3d1t s LYS 96 Ca 0.00 -0.13 0.01 0.00 0.02 0.00 0.00 55.97 55.86 3d1t s LYS 96 Cb 0.00 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.00 3d1t s LYS 96 CO 0.00 0.08 -0.17 0.42 -0.92 0.00 0.00 175.35 174.76 3d1t s ILE 97 N -0.06 2.51 -0.14 2.17 1.01 -0.09 -1.38 121.20 125.22 3d1t s ILE 97 Ca 0.01 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 59.87 3d1t s ILE 97 Cb -0.02 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.41 3d1t s ILE 97 CO -0.00 0.52 -0.22 -0.55 0.00 0.00 0.00 174.94 174.69 3d1t s SER 98 N 0.89 3.11 -0.13 3.58 0.15 0.75 -0.88 113.70 121.17 3d1t s SER 98 Ca -0.04 -0.60 0.02 0.00 0.70 0.00 0.00 55.95 56.03 3d1t s SER 98 Cb -0.15 -1.44 0.01 0.00 -1.71 0.00 0.00 66.02 62.73 3d1t s SER 98 CO -0.02 0.08 -0.20 0.54 1.20 0.00 0.00 173.24 174.84 3d1t s VAL 99 N 0.79 1.91 -0.04 4.45 0.11 0.07 -0.54 120.40 127.14 3d1t s VAL 99 Ca -0.08 -0.89 0.06 0.00 -2.93 0.00 0.00 61.98 58.14 3d1t s VAL 99 Cb -0.16 -1.70 -0.02 0.00 -1.53 0.00 0.00 36.38 32.98 3d1t s VAL 99 CO -0.01 0.52 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.63 3d1t s SER 100 N 0.87 3.47 -0.03 3.54 0.01 -0.17 -0.85 113.70 120.55 3d1t s SER 100 Ca -0.07 -0.37 -0.29 0.00 1.31 0.00 0.00 55.95 56.54 3d1t s SER 100 Cb -0.15 -0.68 0.10 0.00 0.21 0.00 0.00 66.02 65.50 3d1t s SER 100 CO -0.02 0.31 0.89 0.72 0.41 0.00 0.00 173.24 175.55 3d1t s PHE 101 N -0.53 -0.37 0.07 2.43 -0.12 0.17 -0.44 117.98 119.19 3d1t s PHE 101 Ca 0.07 0.32 -0.31 0.00 -0.05 0.00 0.00 56.93 56.96 3d1t s PHE 101 Cb -0.11 0.52 -0.06 0.00 -0.63 0.00 0.00 43.02 42.74 3d1t s PHE 101 CO 0.01 -0.52 1.19 -2.14 -0.05 0.00 0.00 175.22 173.70 3d1t s PRO 102 N -2.75 4.45 -0.15 1.99 0.02 -1.26 -1.12 135.00 136.18 3d1t s PRO 102 Ca 0.03 1.76 -0.01 0.00 0.02 0.00 0.00 61.00 62.80 3d1t s PRO 102 Cb -0.01 -3.34 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 3d1t s PRO 102 CO -0.07 -0.23 -0.12 0.12 -0.33 0.00 0.00 177.00 176.38 3d1t s PHE 103 N 0.96 2.84 -0.10 6.54 5.36 0.23 -4.77 117.98 129.05 3d1t s PHE 103 Ca 0.58 -0.71 -0.03 0.00 -0.96 0.00 0.00 56.93 55.80 3d1t s PHE 103 Cb -0.29 -1.89 -0.04 0.00 -0.34 0.00 0.00 43.02 40.46 3d1t s PHE 103 CO 0.30 -0.28 0.04 -0.06 -1.46 0.00 0.00 175.22 173.76 3d1t s PHE 104 N 0.55 3.29 -0.03 10.12 0.08 -1.26 0.17 117.98 130.92 3d1t s PHE 104 Ca -0.08 0.30 0.00 0.00 0.12 0.00 0.00 56.93 57.27 3d1t s PHE 104 Cb -0.15 -1.83 0.03 0.00 -0.57 0.00 0.00 43.02 40.49 3d1t s PHE 104 CO 0.03 0.55 0.02 0.50 -0.10 0.00 0.00 175.22 176.22 3d1t s ARG 105 N -0.93 0.13 0.08 0.44 3.52 -0.42 -4.96 118.95 116.81 3d1t s ARG 105 Ca 0.14 0.13 -0.31 0.00 -0.13 0.00 0.00 55.73 55.56 3d1t s ARG 105 Cb -0.12 -0.37 -0.07 0.00 -1.56 0.00 0.00 34.95 32.83 3d1t s ARG 105 CO 0.03 -0.15 1.42 0.21 -0.81 0.00 0.00 175.30 176.00 3d1t s LYS 106 N 1.06 4.30 0.31 5.12 2.20 -1.26 -0.79 119.74 130.67 3d1t s LYS 106 Ca -0.09 2.07 0.11 0.00 -0.36 0.00 0.00 55.97 57.69 3d1t s LYS 106 Cb -0.13 -3.38 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 3d1t s LYS 106 CO -0.02 -0.51 -0.12 0.15 -0.36 0.00 0.00 175.35 174.49 3d1t s LYS 107 N 1.65 1.84 -0.15 4.03 1.02 0.14 -4.94 119.74 123.32 3d1t s LYS 107 Ca 0.65 -1.78 0.01 0.00 0.02 0.00 0.00 55.97 54.88 3d1t s LYS 107 Cb -0.36 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.14 3d1t s LYS 107 CO 0.29 0.25 -0.18 0.99 -0.92 0.00 0.00 175.35 175.79 3d1t s THR 108 N -2.52 2.45 0.38 2.17 2.01 -1.26 -1.34 115.64 117.53 3d1t s THR 108 Ca 0.32 -0.85 -0.28 0.00 0.31 0.00 0.00 61.69 61.19 3d1t s THR 108 Cb -0.02 -2.02 -0.11 0.00 0.01 0.00 0.00 72.50 70.36 3d1t s THR 108 CO 0.17 0.53 1.46 0.00 -0.69 0.00 0.00 174.62 176.09 3d1t n ALA 109 N 4.06 2.24 0.26 7.40 0.00 0.15 -4.89 120.51 129.73 3d1t n ALA 109 Ca -0.19 0.33 0.14 0.00 0.00 0.00 0.00 53.44 53.72 3d1t n ALA 109 Cb 0.52 -2.40 0.67 0.00 0.00 0.00 0.00 19.45 18.24 3d1t n ALA 109 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3d1t h PRO 110 N 2.85 0.00 0.00 0.00 0.13 -1.91 -2.30 132.00 130.77 3d1t h PRO 110 Ca -0.50 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.55 3d1t h PRO 110 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3d1t h PRO 110 CO 0.63 0.12 -0.89 0.28 -0.23 0.00 0.00 178.00 177.91 3d1t n VAL 111 N -3.38 1.03 0.25 1.56 0.31 -1.26 -4.77 118.33 112.07 3d1t n VAL 111 Ca -0.01 0.12 0.15 0.00 -0.01 0.00 0.00 64.34 64.58 3d1t n VAL 111 Cb 0.30 -1.79 0.51 0.00 -0.91 0.00 0.00 33.84 31.96 3d1t n VAL 111 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3d1t h SER 112 N -0.39 0.00 0.00 4.52 4.64 -1.93 -3.47 113.55 116.92 3d1t h SER 112 Ca -0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3d1t h SER 112 Cb 0.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3d1t h SER 112 CO -0.07 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.55 3d1t n GLY 113 N 0.34 0.47 3.74 -0.77 0.00 -0.86 -4.98 105.19 103.13 3d1t n GLY 113 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 3d1t n GLY 113 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d1t s ILE 114 N -2.27 2.50 0.07 -0.61 1.01 -1.26 -4.31 121.20 116.33 3d1t s ILE 114 Ca 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.97 3d1t s ILE 114 Cb 0.00 -3.26 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 3d1t s ILE 114 CO 0.00 0.06 0.37 -0.13 0.00 0.00 0.00 174.94 175.24 3d1t s ARG 115 N -0.10 3.71 0.13 2.79 0.52 -1.26 -0.68 118.95 124.06 3d1t s ARG 115 Ca 0.62 0.10 -0.23 0.00 -0.52 0.00 0.00 55.73 55.71 3d1t s ARG 115 Cb -0.44 -3.00 0.06 0.00 0.52 0.00 0.00 34.95 32.10 3d1t s ARG 115 CO 0.42 0.57 0.58 -1.54 0.02 0.00 0.00 175.30 175.34 3d1t s SER 116 N -1.82 -0.52 0.27 0.23 1.04 -0.45 -4.93 113.70 107.52 3d1t s SER 116 Ca 0.33 0.04 -0.16 0.00 0.48 0.00 0.00 55.95 56.64 3d1t s SER 116 Cb -0.14 0.57 -0.08 0.00 0.10 0.00 0.00 66.02 66.47 3d1t s SER 116 CO 0.18 -0.90 0.70 -0.76 0.98 0.00 0.00 173.24 173.45 3d1t s LEU 117 N -2.55 4.17 0.09 2.42 1.43 -1.26 0.24 118.68 123.22 3d1t s LEU 117 Ca -0.00 1.28 0.09 0.00 -1.03 0.00 0.00 54.13 54.46 3d1t s LEU 117 Cb -0.01 -3.85 -0.03 0.00 0.03 0.00 0.00 46.19 42.33 3d1t s LEU 117 CO -0.10 -0.11 -0.24 -0.22 0.23 0.00 0.00 176.35 175.92 3d1t s LEU 118 N -2.62 2.26 -0.14 1.79 2.96 0.03 -4.26 118.68 118.71 3d1t s LEU 118 Ca 0.49 -0.66 -0.06 0.00 -0.22 0.00 0.00 54.13 53.68 3d1t s LEU 118 Cb -0.12 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.46 3d1t s LEU 118 CO 0.19 0.15 0.08 1.51 -1.32 0.00 0.00 176.35 176.96 3d1t s ASP 119 N -1.71 5.87 0.10 3.68 -4.77 -1.26 -1.30 116.67 117.28 3d1t s ASP 119 Ca 0.10 0.25 0.08 0.00 -3.30 0.00 0.00 52.55 49.68 3d1t s ASP 119 Cb -0.10 -1.89 -0.03 0.00 -1.09 0.00 0.00 42.92 39.80 3d1t s ASP 119 CO 0.04 0.31 -0.20 -0.31 0.70 0.00 0.00 175.17 175.71 3d1t s TYR 120 N -0.45 1.72 -0.25 2.11 2.02 0.13 -4.82 117.35 117.81 3d1t s TYR 120 Ca 0.10 -0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 3d1t s TYR 120 Cb -0.12 -0.94 -0.05 0.00 -0.40 0.00 0.00 41.96 40.45 3d1t s TYR 120 CO 0.02 0.19 0.21 -0.51 -1.57 0.00 0.00 175.55 173.89 3d1t s ASP 121 N -1.92 6.14 0.07 2.29 1.01 -1.26 0.76 116.67 123.76 3d1t s ASP 121 Ca 0.06 0.14 0.09 0.00 0.71 0.00 0.00 52.55 53.55 3d1t s ASP 121 Cb -0.10 -2.13 -0.03 0.00 1.01 0.00 0.00 42.92 41.67 3d1t s ASP 121 CO 0.04 0.00 -0.25 -0.69 0.21 0.00 0.00 175.17 174.49 3d1t s VAL 122 N 1.34 2.02 -0.05 -1.27 1.01 -0.28 -4.34 120.40 118.83 3d1t s VAL 122 Ca 0.09 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.62 3d1t s VAL 122 Cb -0.14 -1.76 0.02 0.00 0.00 0.00 0.00 36.38 34.49 3d1t s VAL 122 CO 0.07 0.21 -0.07 -0.44 0.00 0.00 0.00 175.10 174.87 3d1t s SER 123 N -1.52 1.23 -0.10 3.32 0.01 -0.25 -0.66 113.70 115.74 3d1t s SER 123 Ca 0.11 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.21 3d1t s SER 123 Cb -0.10 -0.58 -0.01 0.00 0.21 0.00 0.00 66.02 65.54 3d1t s SER 123 CO 0.03 -0.03 -0.18 -0.76 0.41 0.00 0.00 173.24 172.71 3d1t s LEU 124 N 0.85 2.44 -0.09 2.44 1.43 -0.03 -1.01 118.68 124.71 3d1t s LEU 124 Ca -0.12 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 52.61 3d1t s LEU 124 Cb -0.15 -1.51 0.01 0.00 0.03 0.00 0.00 46.19 44.58 3d1t s LEU 124 CO 0.01 0.21 -0.17 -0.89 0.23 0.00 0.00 176.35 175.74 3d1t s THR 125 N 0.08 1.53 -0.12 5.49 2.01 -0.66 -0.75 115.64 123.22 3d1t s THR 125 Ca -0.08 -0.69 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 3d1t s THR 125 Cb -0.15 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 3d1t s THR 125 CO 0.05 0.44 0.07 -0.83 -0.69 0.00 0.00 174.62 173.67 3d1t s GLY 126 N 0.70 1.98 0.04 4.40 0.00 -0.06 -1.72 107.32 112.67 3d1t s GLY 126 Ca -0.13 -0.73 0.01 0.00 0.00 0.00 0.00 44.72 43.87 3d1t s GLY 126 CO 0.03 -0.36 0.02 -2.21 0.00 0.00 0.00 173.10 170.58 3d1t n GLU 127 N 2.37 0.39 0.00 2.90 2.13 -0.38 -0.92 120.64 127.13 3d1t n GLU 127 Ca -0.19 -0.36 0.00 0.00 0.66 0.00 0.00 57.16 57.27 3d1t n GLU 127 Cb 0.54 0.25 0.00 0.00 0.27 0.00 0.00 31.44 32.50 3d1t n GLU 127 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3d1t n LYS 129 N -0.08 0.00 -2.61 5.31 4.81 0.01 -1.00 118.16 124.61 3d1t n LYS 129 Ca 0.00 0.00 -0.10 0.00 -0.87 0.00 0.00 58.31 57.34 3d1t n LYS 129 Cb 0.06 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.13 3d1t n LYS 129 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3d1t n ASP 130 N 0.00 -3.62 0.00 3.14 10.43 -0.99 -2.52 116.55 122.98 3d1t n ASP 130 Ca 0.00 -0.13 0.00 0.00 2.57 0.00 0.00 54.79 57.23 3d1t n ASP 130 Cb 0.00 -2.52 0.00 0.00 1.84 0.00 0.00 41.12 40.44 3d1t n ASP 130 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3d1t n GLY 131 N -1.10 2.00 3.62 0.44 0.00 -1.26 -5.01 105.19 103.87 3d1t n GLY 131 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3d1t n GLY 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1t s ALA 132 N -2.44 3.56 0.08 4.61 0.00 -1.05 -5.05 121.76 121.47 3d1t s ALA 132 Ca 0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 51.96 51.34 3d1t s ALA 132 Cb 0.00 -3.20 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 3d1t s ALA 132 CO 0.00 -1.06 0.53 -0.47 0.00 0.00 0.00 175.76 174.75 3d1t s TYR 133 N 2.77 3.73 0.00 0.00 5.04 -1.26 -0.81 117.35 126.83 3d1t s TYR 133 Ca 0.30 1.15 0.01 0.00 -2.44 0.00 0.00 57.07 56.09 3d1t s TYR 133 Cb -0.15 -2.41 -0.01 0.00 0.35 0.00 0.00 41.96 39.74 3d1t s TYR 133 CO 0.11 0.56 -0.04 0.20 -1.34 0.00 0.00 175.55 175.04 3d1t s GLY 134 N -1.28 0.21 0.08 8.97 0.00 -0.17 -5.01 107.32 110.13 3d1t s GLY 134 Ca 0.30 -0.25 0.08 0.00 0.00 0.00 0.00 44.72 44.85 3d1t s GLY 134 CO 0.18 -0.24 -0.22 -1.58 0.00 0.00 0.00 173.10 171.23 3d1t s HIS 135 N -0.33 1.93 0.11 1.90 2.46 -1.25 -1.25 115.29 118.87 3d1t s HIS 135 Ca -0.01 -0.40 -0.00 0.00 0.47 0.00 0.00 55.06 55.12 3d1t s HIS 135 Cb -0.03 -1.10 0.00 0.00 -0.13 0.00 0.00 32.58 31.32 3d1t s HIS 135 CO -0.00 0.18 0.15 -1.13 -2.47 0.00 0.00 174.74 171.46 3d1t n SER 136 N 1.42 -0.41 -3.64 9.88 3.41 -0.70 -2.47 113.62 121.10 3d1t n SER 136 Ca -0.18 -1.62 -0.07 0.00 -0.26 0.00 0.00 58.87 56.75 3d1t n SER 136 Cb 0.53 0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 65.20 3d1t n SER 136 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3d1t s LYS 138 N -2.28 0.59 0.00 4.33 2.20 -0.18 -1.65 119.74 122.76 3d1t s LYS 138 Ca 0.10 0.93 0.00 0.00 -0.36 0.00 0.00 55.97 56.64 3d1t s LYS 138 Cb -0.00 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 3d1t s LYS 138 CO 0.07 -0.11 0.00 0.28 -0.36 0.00 0.00 175.35 175.23 3d1t n VAL 139 N 3.65 0.00 0.00 4.02 0.31 0.27 -1.09 118.33 125.49 3d1t n VAL 139 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3d1t n VAL 139 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 3d1t n VAL 139 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3d1t n ILE 141 N 0.00 0.00 -2.55 2.52 -0.00 0.10 -1.05 119.36 118.39 3d1t n ILE 141 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 62.75 62.34 3d1t n ILE 141 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 39.64 39.60 3d1t n ILE 141 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 3d1t s PRO 142 N 0.00 4.65 0.31 0.38 0.05 -1.26 -1.41 135.00 137.72 3d1t s PRO 142 Ca 0.00 1.69 0.03 0.00 0.05 0.00 0.00 61.00 62.78 3d1t s PRO 142 Cb 0.00 -3.26 -0.01 0.00 0.05 0.00 0.00 34.50 31.28 3d1t s PRO 142 CO 0.00 0.18 0.33 1.33 0.05 0.00 0.00 177.00 178.89 3d1t n VAL 143 N 1.97 0.00 -4.29 -0.36 0.24 0.15 -4.45 118.33 111.60 3d1t n VAL 143 Ca 0.01 -1.95 -0.35 0.00 -2.04 0.00 0.00 64.34 60.01 3d1t n VAL 143 Cb 0.46 1.05 -0.10 0.00 -1.47 0.00 0.00 33.84 33.79 3d1t n VAL 143 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3d1t s THR 144 N -3.03 4.42 -0.01 3.34 2.01 0.52 -0.59 115.64 122.30 3d1t s THR 144 Ca 0.32 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.19 3d1t s THR 144 Cb 0.01 -2.89 -0.02 0.00 0.01 0.00 0.00 72.50 69.61 3d1t s THR 144 CO 0.23 0.57 -0.21 -0.94 -0.69 0.00 0.00 174.62 173.58 3d1t s SER 145 N -0.58 2.48 -0.03 3.53 1.04 -0.62 -3.07 113.70 116.45 3d1t s SER 145 Ca 0.10 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.19 3d1t s SER 145 Cb -0.12 -0.27 -0.01 0.00 0.10 0.00 0.00 66.02 65.72 3d1t s SER 145 CO 0.02 0.25 -0.20 -0.22 0.98 0.00 0.00 173.24 174.08 3d1t s LEU 146 N -0.54 2.00 -0.29 2.42 0.20 -1.26 -1.98 118.68 119.23 3d1t s LEU 146 Ca 0.08 -0.39 -0.25 0.00 0.69 0.00 0.00 54.13 54.27 3d1t s LEU 146 Cb -0.08 -1.08 0.00 0.00 -0.43 0.00 0.00 46.19 44.60 3d1t s LEU 146 CO -0.01 0.22 0.86 0.00 -0.29 0.00 0.00 176.35 177.12 3d1t h PRO 148 N 8.00 0.85 -0.57 0.00 0.11 -1.86 -2.04 132.00 136.50 3d1t h PRO 148 Ca -0.23 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 3d1t h PRO 148 Cb 1.09 -0.15 -0.03 0.00 0.11 0.00 0.00 31.00 32.02 3d1t h PRO 148 CO 0.91 0.69 0.30 0.00 -0.21 0.00 0.00 178.00 179.68 3d1t h SER 150 N 0.77 0.33 0.20 0.00 0.87 -1.89 -1.83 113.55 111.99 3d1t h SER 150 Ca 0.20 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3d1t h SER 150 Cb 0.08 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3d1t h SER 150 CO -0.03 0.24 -0.09 0.50 -0.53 0.00 0.00 176.83 176.92 3d1t h LYS 151 N 0.43 -0.25 -1.00 2.24 3.64 -1.17 -2.88 116.57 117.58 3d1t h LYS 151 Ca 0.16 0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.69 3d1t h LYS 151 Cb 0.03 0.06 -0.09 0.00 -0.41 0.00 0.00 32.23 31.82 3d1t h LYS 151 CO -0.09 -0.08 0.63 1.49 -2.27 0.00 0.00 179.45 179.13 3d1t h GLU 152 N -0.38 0.92 0.00 1.90 4.81 -1.01 -3.10 114.58 117.72 3d1t h GLU 152 Ca -0.03 -0.06 -0.05 0.00 -0.13 0.00 0.00 59.36 59.10 3d1t h GLU 152 Cb 0.29 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 3d1t h GLU 152 CO 0.04 0.61 -1.18 0.44 -0.73 0.00 0.00 179.01 178.19 3d1t n ILE 153 N -4.63 0.74 -3.88 2.32 -5.35 -0.70 -4.92 119.36 102.94 3d1t n ILE 153 Ca 0.19 -0.59 -0.27 0.00 -0.27 0.00 0.00 62.75 61.81 3d1t n ILE 153 Cb 0.39 -0.43 -0.03 0.00 -1.74 0.00 0.00 39.64 37.83 3d1t n ILE 153 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3d1t s SER 154 N -5.42 6.36 0.45 7.28 1.04 -1.09 -4.99 113.70 117.32 3d1t s SER 154 Ca -0.02 0.25 0.27 0.00 0.48 0.00 0.00 55.95 56.93 3d1t s SER 154 Cb 0.10 -1.95 0.75 0.00 0.10 0.00 0.00 66.02 65.02 3d1t s SER 154 CO 0.80 0.05 1.75 0.06 0.98 0.00 0.00 173.24 176.89 3d1t h GLN 155 N 2.31 0.00 -3.02 4.02 3.07 -1.91 -3.46 115.11 116.13 3d1t h GLN 155 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 3d1t h GLN 155 Cb 1.19 0.00 -0.10 0.00 0.08 0.00 0.00 27.48 28.64 3d1t h GLN 155 CO 0.70 0.00 0.20 1.52 0.09 0.00 0.00 178.83 181.34 3d1t s TYR 156 N -3.35 -0.43 0.16 0.06 -0.85 -1.26 -5.16 117.35 106.52 3d1t s TYR 156 Ca 0.05 0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.75 3d1t s TYR 156 Cb 0.07 0.59 0.00 0.00 0.38 0.00 0.00 41.96 43.00 3d1t s TYR 156 CO 0.61 -0.95 0.00 0.41 -1.52 0.00 0.00 175.55 174.10 3d1t n GLY 157 N -0.40 -2.82 3.46 5.49 0.00 -1.26 -5.03 105.19 104.63 3d1t n GLY 157 Ca -0.13 -1.34 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 3d1t n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d1t s ALA 158 N -3.34 -1.49 0.25 4.61 0.00 -1.26 -4.37 121.76 116.16 3d1t s ALA 158 Ca 0.00 1.99 -0.30 0.00 0.00 0.00 0.00 51.96 53.65 3d1t s ALA 158 Cb 0.00 -1.23 -0.10 0.00 0.00 0.00 0.00 23.12 21.80 3d1t s ALA 158 CO 0.00 -0.38 1.37 -3.38 0.00 0.00 0.00 175.76 173.37 3d1t s HIS 159 N 1.65 3.11 0.34 0.00 -3.43 -1.26 -4.84 115.29 110.85 3d1t s HIS 159 Ca -0.09 1.18 0.03 0.00 -0.80 0.00 0.00 55.06 55.38 3d1t s HIS 159 Cb -0.07 -3.72 -0.04 0.00 -1.43 0.00 0.00 32.58 27.32 3d1t s HIS 159 CO -0.16 -2.23 0.12 0.54 -2.00 0.00 0.00 174.74 171.01 3d1t s ASN 160 N 0.17 2.09 0.01 7.38 4.22 -1.26 -2.28 114.94 125.27 3d1t s ASN 160 Ca 0.56 -1.52 -0.29 0.00 -2.14 0.00 0.00 52.86 49.47 3d1t s ASN 160 Cb -0.40 0.28 0.10 0.00 1.28 0.00 0.00 41.25 42.51 3d1t s ASN 160 CO 0.44 -0.81 1.09 0.00 -2.04 0.00 0.00 177.10 175.78 3d1t s GLN 161 N -3.83 0.73 0.35 3.55 0.00 -0.84 -4.31 119.66 115.30 3d1t s GLN 161 Ca 0.32 -0.36 -0.26 0.00 -0.00 0.00 0.00 55.36 55.05 3d1t s GLN 161 Cb 0.06 0.27 -0.09 0.00 0.00 0.00 0.00 33.01 33.25 3d1t s GLN 161 CO 0.15 -0.33 1.10 0.50 0.00 0.00 0.00 175.29 176.72 3d1t s ARG 162 N -2.84 4.33 0.00 9.60 3.52 -1.26 -1.58 118.95 130.71 3d1t s ARG 162 Ca 0.11 1.72 0.05 0.00 -0.13 0.00 0.00 55.73 57.48 3d1t s ARG 162 Cb 0.01 -2.84 -0.01 0.00 -1.56 0.00 0.00 34.95 30.55 3d1t s ARG 162 CO -0.03 -0.05 -0.15 0.45 -0.81 0.00 0.00 175.30 174.71 3d1t s SER 163 N -1.17 1.81 -0.23 -2.12 0.15 0.24 -2.49 113.70 109.89 3d1t s SER 163 Ca 0.52 -0.32 -0.07 0.00 0.70 0.00 0.00 55.95 56.78 3d1t s SER 163 Cb -0.28 -0.18 -0.03 0.00 -1.71 0.00 0.00 66.02 63.81 3d1t s SER 163 CO 0.36 0.16 0.06 -1.00 1.20 0.00 0.00 173.24 174.02 3d1t s HIS 164 N -0.47 3.09 -0.18 3.44 3.76 -0.36 -0.67 115.29 123.90 3d1t s HIS 164 Ca 0.05 -0.39 -0.06 0.00 -0.15 0.00 0.00 55.06 54.51 3d1t s HIS 164 Cb -0.06 -2.20 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 3d1t s HIS 164 CO -0.00 -0.30 0.03 0.08 -0.85 0.00 0.00 174.74 173.70 3d1t s VAL 165 N 1.40 4.44 -0.16 -0.90 1.01 -0.50 -0.60 120.40 125.10 3d1t s VAL 165 Ca 0.05 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3d1t s VAL 165 Cb -0.15 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.26 3d1t s VAL 165 CO 0.03 0.46 -0.20 -0.89 0.00 0.00 0.00 175.10 174.50 3d1t s THR 166 N 0.49 1.96 -0.20 3.92 2.01 0.18 0.01 115.64 124.00 3d1t s THR 166 Ca 0.01 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.09 3d1t s THR 166 Cb -0.13 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 3d1t s THR 166 CO 0.01 0.53 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.72 3d1t s VAL 167 N 1.14 3.27 -0.10 3.82 1.01 -0.21 -1.02 120.40 128.31 3d1t s VAL 167 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3d1t s VAL 167 Cb -0.14 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.75 3d1t s VAL 167 CO -0.08 0.45 -0.12 -0.44 0.00 0.00 0.00 175.10 174.91 3d1t s SER 168 N 1.28 4.18 0.07 3.32 0.01 -0.13 -0.57 113.70 121.86 3d1t s SER 168 Ca 0.03 -0.22 -0.09 0.00 1.31 0.00 0.00 55.95 56.97 3d1t s SER 168 Cb -0.14 -1.33 0.00 0.00 0.21 0.00 0.00 66.02 64.76 3d1t s SER 168 CO -0.03 0.25 0.21 -1.48 0.41 0.00 0.00 173.24 172.60 3d1t s LEU 169 N -0.15 1.33 -0.02 2.44 0.05 -1.26 -0.63 118.68 120.44 3d1t s LEU 169 Ca -0.00 -0.52 0.05 0.00 0.05 0.00 0.00 54.13 53.70 3d1t s LEU 169 Cb -0.13 1.06 -0.01 0.00 -2.05 0.00 0.00 46.19 45.06 3d1t s LEU 169 CO 0.03 -0.67 -0.17 0.42 -0.55 0.00 0.00 176.35 175.41 3d1t s THR 170 N -3.39 1.36 0.19 5.48 -4.23 -0.85 -4.43 115.64 109.78 3d1t s THR 170 Ca 0.01 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 59.75 3d1t s THR 170 Cb 0.03 -1.15 -0.02 0.00 1.34 0.00 0.00 72.50 72.70 3d1t s THR 170 CO -0.08 0.39 0.24 -0.94 -0.54 0.00 0.00 174.62 173.68 3d1t s SER 171 N -0.23 0.09 -0.14 3.99 1.04 -1.03 -1.47 113.70 115.96 3d1t s SER 171 Ca 0.03 -1.13 -0.10 0.00 0.48 0.00 0.00 55.95 55.23 3d1t s SER 171 Cb -0.08 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 3d1t s SER 171 CO 0.00 -0.90 -0.20 0.47 0.98 0.00 0.00 173.24 173.59 3d1t n ASP 172 N -0.25 1.66 -4.77 7.02 8.00 -1.24 -3.77 116.55 123.20 3d1t n ASP 172 Ca -0.02 0.52 -0.34 0.00 0.71 0.00 0.00 54.79 55.66 3d1t n ASP 172 Cb 0.64 -0.80 0.04 0.00 -0.02 0.00 0.00 41.12 40.98 3d1t n ASP 172 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3d1t s ALA 173 N -2.80 2.48 0.22 2.24 0.00 -1.26 -4.89 121.76 117.75 3d1t s ALA 173 Ca -0.17 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.13 3d1t s ALA 173 Cb 0.02 -3.34 -0.09 0.00 0.00 0.00 0.00 23.12 19.71 3d1t s ALA 173 CO 0.25 -1.23 1.25 -1.83 0.00 0.00 0.00 175.76 174.20 3d1t s GLU 174 N -3.91 4.44 -0.19 0.00 -1.05 -1.26 -4.97 118.70 111.76 3d1t s GLU 174 Ca 0.69 2.00 -0.01 0.00 -0.15 0.00 0.00 54.97 57.50 3d1t s GLU 174 Cb -0.22 -3.19 0.01 0.00 -0.44 0.00 0.00 34.13 30.29 3d1t s GLU 174 CO 0.39 -0.14 -0.13 0.08 0.95 0.00 0.00 175.26 176.40 3d1t s VAL 175 N -0.26 2.64 0.48 1.83 1.01 -1.26 -5.11 120.40 119.74 3d1t s VAL 175 Ca 0.53 -0.75 -0.24 0.00 0.00 0.00 0.00 61.98 61.52 3d1t s VAL 175 Cb -0.35 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.80 3d1t s VAL 175 CO 0.40 0.49 1.42 0.61 0.00 0.00 0.00 175.10 178.03 3d1t n GLY 176 N 4.60 0.97 0.23 4.51 0.00 -1.26 -4.92 105.19 109.32 3d1t n GLY 176 Ca -0.20 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.90 3d1t n GLY 176 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3d1t h ILE 177 N 2.02 1.10 -0.01 -0.61 2.04 -2.00 -2.44 117.51 117.60 3d1t h ILE 177 Ca -0.51 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 3d1t h ILE 177 Cb 1.28 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3d1t h ILE 177 CO 0.60 0.13 -0.24 1.05 0.00 0.00 0.00 178.15 179.69 3d1t h GLU 178 N 0.74 0.02 -0.48 2.37 9.09 -1.99 -1.29 114.58 123.04 3d1t h GLU 178 Ca 0.22 -0.01 -0.03 0.00 0.05 0.00 0.00 59.36 59.60 3d1t h GLU 178 Cb -0.03 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.05 3d1t h GLU 178 CO -0.07 0.26 0.19 0.93 0.05 0.00 0.00 179.01 180.37 3d1t h GLU 179 N 0.02 0.71 -0.50 1.06 5.08 -1.81 -1.17 114.58 117.97 3d1t h GLU 179 Ca 0.00 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.14 3d1t h GLU 179 Cb 0.44 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3d1t h GLU 179 CO 0.03 0.64 -0.06 0.28 -1.00 0.00 0.00 179.01 178.90 3d1t h VAL 180 N 0.63 1.26 -0.85 3.13 2.07 -0.94 -1.83 116.25 119.72 3d1t h VAL 180 Ca 0.16 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.50 3d1t h VAL 180 Cb 0.20 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 3d1t h VAL 180 CO -0.01 0.40 0.41 0.40 0.02 0.00 0.00 177.57 178.78 3d1t h ILE 181 N 0.81 1.26 -0.21 4.57 2.04 -1.07 -2.78 117.51 122.12 3d1t h ILE 181 Ca 0.14 -0.73 -0.03 0.00 1.00 0.00 0.00 64.86 65.24 3d1t h ILE 181 Cb 0.56 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3d1t h ILE 181 CO 0.03 0.32 0.02 0.44 0.00 0.00 0.00 178.15 178.96 3d1t h ASP 182 N 1.21 0.35 -0.93 1.72 3.32 -0.92 -0.16 116.42 121.01 3d1t h ASP 182 Ca 0.29 -0.28 0.22 0.00 0.02 0.00 0.00 57.03 57.28 3d1t h ASP 182 Cb 0.12 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.51 3d1t h ASP 182 CO -0.04 0.54 0.61 1.88 -1.72 0.00 0.00 179.24 180.52 3d1t h TYR 183 N 0.14 0.54 0.09 4.55 0.05 -1.19 -2.19 116.97 118.96 3d1t h TYR 183 Ca 0.06 0.02 -0.26 0.00 0.05 0.00 0.00 58.73 58.60 3d1t h TYR 183 Cb 0.35 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 3d1t h TYR 183 CO 0.03 0.13 -1.32 0.28 -1.05 0.00 0.00 178.16 176.22 3d1t h VAL 184 N 0.39 1.04 -0.23 -2.88 2.07 -1.16 -3.36 116.25 112.13 3d1t h VAL 184 Ca 0.49 -2.36 -0.10 0.00 0.82 0.00 0.00 66.70 65.55 3d1t h VAL 184 Cb 1.25 2.67 -0.01 0.00 -1.52 0.00 0.00 31.29 33.68 3d1t h VAL 184 CO -0.19 0.65 -0.30 -0.33 0.02 0.00 0.00 177.57 177.42 3d1t h GLU 185 N -0.44 0.46 -0.97 1.57 5.08 -0.86 -2.02 114.58 117.39 3d1t h GLU 185 Ca -0.30 -0.19 0.23 0.00 -1.00 0.00 0.00 59.36 58.11 3d1t h GLU 185 Cb 1.65 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 30.76 3d1t h GLU 185 CO 0.01 0.71 0.53 1.15 -1.00 0.00 0.00 179.01 180.42 3d1t h THR 186 N 0.40 0.53 -0.01 1.13 2.02 -1.58 -2.72 112.91 112.68 3d1t h THR 186 Ca 0.05 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.05 3d1t h THR 186 Cb 0.73 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3d1t h THR 186 CO 0.06 0.10 -0.27 0.00 0.37 0.00 0.00 175.52 175.78 3d1t n GLN 187 N -4.93 1.15 -2.55 6.66 1.13 -0.78 -4.95 117.38 113.11 3d1t n GLN 187 Ca 0.25 -0.79 -0.33 0.00 -1.94 0.00 0.00 57.00 54.19 3d1t n GLN 187 Cb 0.70 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.53 3d1t n GLN 187 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3d1t s ALA 188 N -2.40 2.95 0.23 -1.58 0.00 -1.03 -4.93 121.76 115.00 3d1t s ALA 188 Ca 0.25 0.43 -0.09 0.00 0.00 0.00 0.00 51.96 52.55 3d1t s ALA 188 Cb 0.19 -3.19 0.37 0.00 0.00 0.00 0.00 23.12 20.50 3d1t s ALA 188 CO 0.50 -0.21 1.65 0.77 0.00 0.00 0.00 175.76 178.46 3d1t h SER 189 N 1.41 -0.32 -4.85 0.00 0.02 -1.74 -3.43 113.55 104.63 3d1t h SER 189 Ca -0.48 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3d1t h SER 189 Cb 1.20 0.31 -0.16 0.00 0.14 0.00 0.00 62.40 63.89 3d1t h SER 189 CO 0.60 -0.15 0.28 0.00 -1.14 0.00 0.00 176.83 176.42 3d1t s GLN 191 N -2.44 2.49 0.15 0.00 -2.07 -1.26 -0.35 119.66 116.18 3d1t s GLN 191 Ca -0.03 -0.82 -0.01 0.00 -1.82 0.00 0.00 55.36 52.68 3d1t s GLN 191 Cb -0.01 -2.49 -0.04 0.00 -1.09 0.00 0.00 33.01 29.39 3d1t s GLN 191 CO -0.02 -0.75 0.34 -0.51 -1.32 0.00 0.00 175.29 173.02 3d1t s LEU 192 N -4.78 4.28 0.05 2.60 1.43 -1.26 -4.72 118.68 116.27 3d1t s LEU 192 Ca 0.58 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 54.09 3d1t s LEU 192 Cb -0.10 -3.12 -0.02 0.00 0.03 0.00 0.00 46.19 42.98 3d1t s LEU 192 CO 0.39 0.03 -0.09 -0.31 0.23 0.00 0.00 176.35 176.60 3d1t s TYR 193 N -1.73 0.78 0.12 0.29 2.02 -1.26 -5.03 117.35 112.55 3d1t s TYR 193 Ca 0.38 -0.49 -0.07 0.00 -0.37 0.00 0.00 57.07 56.53 3d1t s TYR 193 Cb -0.12 -0.46 -0.10 0.00 -0.40 0.00 0.00 41.96 40.88 3d1t s TYR 193 CO 0.28 -0.05 1.30 0.78 -1.57 0.00 0.00 175.55 176.29 3d1t h GLY 194 N 4.48 0.56 -6.55 0.71 0.00 -1.88 -3.44 103.07 96.95 3d1t h GLY 194 Ca -0.37 -0.93 -0.56 0.00 0.00 0.00 0.00 47.33 45.47 3d1t h GLY 194 CO 0.41 0.83 -0.81 -2.27 0.00 0.00 0.00 176.54 174.69 3d1t s LEU 195 N -7.91 1.41 -0.03 3.11 0.20 -1.26 -5.08 118.68 109.12 3d1t s LEU 195 Ca -0.07 -0.40 0.03 0.00 0.69 0.00 0.00 54.13 54.38 3d1t s LEU 195 Cb 0.09 -0.98 0.00 0.00 -0.43 0.00 0.00 46.19 44.87 3d1t s LEU 195 CO 0.88 -0.10 -0.10 -0.76 -0.29 0.00 0.00 176.35 175.98 3d1t s LEU 196 N 1.61 1.77 0.60 -0.68 1.43 -1.26 -4.72 118.68 117.43 3d1t s LEU 196 Ca 0.05 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 3d1t s LEU 196 Cb -0.13 -0.59 0.05 0.00 0.03 0.00 0.00 46.19 45.55 3d1t s LEU 196 CO -0.09 0.07 0.84 -0.54 0.23 0.00 0.00 176.35 176.85 3d1t s LYS 197 N 0.23 2.35 0.19 1.70 -0.14 -1.26 -4.84 119.74 117.98 3d1t s LYS 197 Ca -0.04 -0.80 -0.20 0.00 -1.36 0.00 0.00 55.97 53.57 3d1t s LYS 197 Cb -0.09 -2.43 0.14 0.00 -1.68 0.00 0.00 37.83 33.77 3d1t s LYS 197 CO 0.01 -0.90 1.58 0.00 -0.76 0.00 0.00 175.35 175.29 3d1t h ARG 198 N -0.10 -0.13 -0.25 1.68 3.08 -2.01 0.03 114.38 116.68 3d1t h ARG 198 Ca -0.41 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 3d1t h ARG 198 Cb 1.29 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.36 3d1t h ARG 198 CO 0.51 -0.09 0.06 -1.00 -1.07 0.00 0.00 179.97 178.38 3d1t h PRO 199 N -0.14 0.35 -0.08 0.04 0.13 -1.99 -1.27 132.00 129.03 3d1t h PRO 199 Ca 0.25 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 3d1t h PRO 199 Cb 0.55 -0.07 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 3d1t h PRO 199 CO -0.71 0.32 -0.01 -0.44 -0.23 0.00 0.00 178.00 176.94 3d1t h ASP 200 N 0.35 0.14 -0.68 1.44 3.32 -1.43 -1.95 116.42 117.61 3d1t h ASP 200 Ca 0.09 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 3d1t h ASP 200 Cb 0.13 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3d1t h ASP 200 CO -0.00 0.44 0.40 -0.08 -1.72 0.00 0.00 179.24 178.28 3d1t h GLU 201 N -0.15 0.93 -0.11 3.56 4.81 -0.95 0.37 114.58 123.04 3d1t h GLU 201 Ca 0.02 -0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3d1t h GLU 201 Cb 0.37 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3d1t h GLU 201 CO 0.01 0.67 -0.08 -0.22 -0.73 0.00 0.00 179.01 178.65 3d1t h LYS 202 N 0.93 -0.08 -0.75 1.92 3.64 -1.21 -0.95 116.57 120.06 3d1t h LYS 202 Ca 0.24 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 3d1t h LYS 202 Cb -0.01 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 31.76 3d1t h LYS 202 CO -0.04 -0.06 0.42 -0.92 -2.27 0.00 0.00 179.45 176.58 3d1t h TYR 203 N -0.09 0.76 -0.15 1.91 3.20 -0.95 -2.14 116.97 119.52 3d1t h TYR 203 Ca 0.07 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.86 3d1t h TYR 203 Cb 0.19 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3d1t h TYR 203 CO -0.20 0.33 -0.33 -0.24 -1.64 0.00 0.00 178.16 176.09 3d1t h VAL 204 N 0.73 1.36 -0.35 1.81 3.04 -0.59 -1.24 116.25 121.01 3d1t h VAL 204 Ca 0.35 -1.60 0.07 0.00 -1.01 0.00 0.00 66.70 64.52 3d1t h VAL 204 Cb 0.28 2.02 -0.07 0.00 -2.01 0.00 0.00 31.29 31.50 3d1t h VAL 204 CO -0.22 0.48 -0.13 0.74 -1.01 0.00 0.00 177.57 177.42 3d1t h THR 205 N 0.09 0.56 -0.19 3.17 2.02 -1.13 -2.16 112.91 115.27 3d1t h THR 205 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3d1t h THR 205 Cb 0.93 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3d1t h THR 205 CO 0.07 0.00 -0.15 -0.33 0.37 0.00 0.00 175.52 175.48 3d1t h GLU 206 N -0.06 0.43 -0.80 6.66 5.08 -1.36 -2.35 114.58 122.17 3d1t h GLU 206 Ca 0.17 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3d1t h GLU 206 Cb 0.33 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3d1t h GLU 206 CO -0.40 0.77 0.38 -0.22 -1.00 0.00 0.00 179.01 178.54 3d1t h LYS 207 N 0.10 1.15 -0.47 2.33 1.63 -1.19 -0.84 116.57 119.28 3d1t h LYS 207 Ca 0.03 -0.16 -0.09 0.00 -0.85 0.00 0.00 60.65 59.58 3d1t h LYS 207 Cb 0.67 -0.21 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 3d1t h LYS 207 CO 0.04 0.88 -0.04 0.00 -3.45 0.00 0.00 179.45 176.88 3d1t h ALA 208 N 1.28 0.64 -0.82 5.00 0.00 -1.40 -1.70 119.26 122.26 3d1t h ALA 208 Ca 0.28 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.92 3d1t h ALA 208 Cb 0.11 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 3d1t h ALA 208 CO -0.03 0.48 0.54 -0.92 0.00 0.00 0.00 179.25 179.32 3d1t h TYR 209 N 0.72 0.98 0.00 0.00 3.20 -0.83 -1.78 116.97 119.26 3d1t h TYR 209 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3d1t h TYR 209 Cb 0.57 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3d1t h TYR 209 CO 0.04 0.57 -0.11 0.39 -1.64 0.00 0.00 178.16 177.41 3d1t n GLU 210 N -4.45 0.10 -3.08 1.82 1.02 -0.38 -4.17 120.64 111.50 3d1t n GLU 210 Ca 0.11 0.07 -0.24 0.00 -0.02 0.00 0.00 57.16 57.08 3d1t n GLU 210 Cb 0.12 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 29.90 3d1t n GLU 210 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3d1t n ASN 211 N -1.76 3.05 -4.77 1.62 5.15 -0.67 -5.08 115.26 112.80 3d1t n ASN 211 Ca 0.06 -3.40 -0.39 0.00 -0.60 0.00 0.00 54.58 50.25 3d1t n ASN 211 Cb 0.37 -0.59 -0.01 0.00 -0.53 0.00 0.00 39.78 39.02 3d1t n ASN 211 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3d1t s PRO 212 N -2.94 4.03 -0.14 1.20 0.02 -1.20 -4.32 135.00 131.66 3d1t s PRO 212 Ca 0.45 2.07 -0.06 0.00 0.02 0.00 0.00 61.00 63.48 3d1t s PRO 212 Cb 0.28 -2.77 0.06 0.00 0.02 0.00 0.00 34.50 32.09 3d1t s PRO 212 CO -0.11 -0.41 0.30 0.15 -0.33 0.00 0.00 177.00 176.61 3d1t s LYS 213 N -2.20 0.24 0.89 5.54 1.02 0.30 -4.76 119.74 120.76 3d1t s LYS 213 Ca 0.56 0.71 -0.11 0.00 0.02 0.00 0.00 55.97 57.15 3d1t s LYS 213 Cb -0.36 -0.02 0.12 0.00 -0.52 0.00 0.00 37.83 37.05 3d1t s LYS 213 CO 0.46 -0.21 1.10 -0.06 -0.92 0.00 0.00 175.35 175.72 3d1t s PHE 214 N 1.82 2.17 0.42 3.18 0.08 -1.26 -4.20 117.98 120.19 3d1t s PHE 214 Ca -0.05 1.45 0.09 0.00 0.12 0.00 0.00 56.93 58.54 3d1t s PHE 214 Cb -0.11 -3.16 0.91 0.00 -0.57 0.00 0.00 43.02 40.09 3d1t s PHE 214 CO -0.10 -2.43 2.04 -0.24 -0.10 0.00 0.00 175.22 174.39 3d1t h VAL 215 N -1.59 1.10 -0.64 -0.44 3.04 -1.96 -2.39 116.25 113.37 3d1t h VAL 215 Ca -0.47 -0.29 -0.00 0.00 -1.01 0.00 0.00 66.70 64.92 3d1t h VAL 215 Cb 1.27 0.73 -0.03 0.00 -2.01 0.00 0.00 31.29 31.25 3d1t h VAL 215 CO 0.51 0.12 0.38 -0.33 -1.01 0.00 0.00 177.57 177.23 3d1t h GLU 216 N 0.40 0.87 -1.59 4.17 3.07 -1.94 -2.73 114.58 116.83 3d1t h GLU 216 Ca 0.10 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3d1t h GLU 216 Cb 0.04 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 3d1t h GLU 216 CO -0.01 0.63 0.00 -0.25 -1.40 0.00 0.00 179.01 177.97 3d1t n ASP 217 N -4.58 1.70 0.00 1.42 8.00 -0.90 -2.12 116.55 120.07 3d1t n ASP 217 Ca 0.05 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.43 3d1t n ASP 217 Cb 0.06 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 3d1t n ASP 217 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3d1t n VAL 219 N 0.93 0.00 -0.15 2.53 0.24 -1.03 -0.54 118.33 120.32 3d1t n VAL 219 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 3d1t n VAL 219 Cb 0.25 0.00 0.02 0.00 -1.47 0.00 0.00 33.84 32.64 3d1t n VAL 219 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3d1t h ARG 220 N 0.00 0.55 -0.50 7.34 3.08 -1.69 -0.46 114.38 122.69 3d1t h ARG 220 Ca 0.00 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.89 3d1t h ARG 220 Cb 0.00 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 3d1t h ARG 220 CO 0.00 0.36 -0.17 -0.44 -1.07 0.00 0.00 179.97 178.65 3d1t h ASP 221 N 0.56 1.02 -0.49 7.04 3.32 -1.08 -2.15 116.42 124.65 3d1t h ASP 221 Ca 0.17 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.71 3d1t h ASP 221 Cb -0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.24 3d1t h ASP 221 CO -0.06 1.17 -0.21 0.58 -1.72 0.00 0.00 179.24 178.99 3d1t h VAL 222 N 0.86 1.27 -0.61 -1.35 2.07 -1.78 -3.11 116.25 113.60 3d1t h VAL 222 Ca 0.12 -1.37 -0.05 0.00 0.82 0.00 0.00 66.70 66.22 3d1t h VAL 222 Cb 0.75 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3d1t h VAL 222 CO 0.06 0.48 0.19 0.00 0.02 0.00 0.00 177.57 178.31 3d1t h ALA 223 N 0.87 1.19 -0.56 1.67 0.00 -0.96 -1.96 119.26 119.52 3d1t h ALA 223 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3d1t h ALA 223 Cb 0.79 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3d1t h ALA 223 CO 0.07 0.56 0.30 1.15 0.00 0.00 0.00 179.25 181.33 3d1t h THR 224 N 0.89 1.19 -0.94 0.00 2.02 -1.36 0.15 112.91 114.85 3d1t h THR 224 Ca 0.20 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.88 3d1t h THR 224 Cb 0.25 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.12 3d1t h THR 224 CO -0.01 0.21 0.59 0.28 0.37 0.00 0.00 175.52 176.97 3d1t h SER 225 N 0.76 1.11 -0.24 4.18 0.02 -1.38 -1.99 113.55 116.00 3d1t h SER 225 Ca 0.20 -0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 60.89 3d1t h SER 225 Cb 0.07 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.34 3d1t h SER 225 CO -0.03 0.83 -0.64 -0.07 -1.14 0.00 0.00 176.83 175.78 3d1t h LEU 226 N 1.29 0.97 -1.26 5.07 3.38 -0.84 -2.84 115.31 121.08 3d1t h LEU 226 Ca 0.34 -0.57 0.03 0.00 0.09 0.00 0.00 57.88 57.77 3d1t h LEU 226 Cb -0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.33 3d1t h LEU 226 CO -0.07 1.37 0.51 0.40 0.09 0.00 0.00 178.44 180.75 3d1t h ILE 227 N 0.62 1.14 -0.57 1.22 2.04 -0.58 -2.19 117.51 119.19 3d1t h ILE 227 Ca -0.01 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3d1t h ILE 227 Cb 1.26 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3d1t h ILE 227 CO 0.14 0.18 0.10 0.00 0.00 0.00 0.00 178.15 178.57 3d1t h ALA 228 N 1.54 0.76 -2.28 1.87 0.00 -1.23 -3.43 119.26 116.49 3d1t h ALA 228 Ca 0.30 -0.25 -0.54 0.00 0.00 0.00 0.00 54.91 54.43 3d1t h ALA 228 Cb 0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3d1t h ALA 228 CO -0.08 0.49 1.17 0.34 0.00 0.00 0.00 179.25 181.17 3d1t s ASP 229 N -6.31 6.51 0.19 0.00 -1.08 -0.83 -4.88 116.67 110.27 3d1t s ASP 229 Ca -0.12 2.37 0.25 0.00 -0.52 0.00 0.00 52.55 54.53 3d1t s ASP 229 Cb 0.13 -2.53 0.90 0.00 -1.46 0.00 0.00 42.92 39.95 3d1t s ASP 229 CO 0.82 -1.04 1.76 0.29 0.52 0.00 0.00 175.17 177.52 3d1t n LYS 230 N 7.40 0.20 0.10 4.34 4.76 -1.26 -2.87 118.16 130.83 3d1t n LYS 230 Ca 0.19 0.24 -0.05 0.00 -2.87 0.00 0.00 58.31 55.83 3d1t n LYS 230 Cb 0.42 -1.77 0.09 0.00 -1.84 0.00 0.00 35.03 31.93 3d1t n LYS 230 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3d1t h ARG 231 N 0.00 0.11 -6.15 1.97 3.08 -1.93 -3.43 114.38 108.03 3d1t h ARG 231 Ca 0.00 -0.10 -0.58 0.00 0.07 0.00 0.00 59.98 59.37 3d1t h ARG 231 Cb 0.59 0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.59 3d1t h ARG 231 CO 0.00 0.77 0.76 0.42 -1.07 0.00 0.00 179.97 180.85 3d1t s ILE 232 N -3.48 4.61 -0.03 2.04 1.01 -1.14 -3.68 121.20 120.53 3d1t s ILE 232 Ca -0.02 1.74 -0.06 0.00 0.00 0.00 0.00 60.65 62.31 3d1t s ILE 232 Cb 0.12 -4.34 -0.29 0.00 0.01 0.00 0.00 42.46 37.96 3d1t s ILE 232 CO 0.79 -0.35 0.74 0.11 0.00 0.00 0.00 174.94 176.24 3d1t h LYS 233 N 7.90 0.30 -3.58 2.79 1.57 -1.54 -3.49 116.57 120.52 3d1t h LYS 233 Ca -0.21 -0.51 -0.08 0.00 -1.87 0.00 0.00 60.65 57.99 3d1t h LYS 233 Cb 1.07 0.19 -0.14 0.00 0.08 0.00 0.00 32.23 33.42 3d1t h LYS 233 CO 0.99 1.17 -0.26 -1.54 -0.57 0.00 0.00 179.45 179.25 3d1t s SER 234 N -7.07 -0.04 0.16 0.86 1.04 -1.21 -4.62 113.70 102.82 3d1t s SER 234 Ca -0.12 -0.45 -0.24 0.00 0.48 0.00 0.00 55.95 55.61 3d1t s SER 234 Cb 0.06 0.38 0.06 0.00 0.10 0.00 0.00 66.02 66.63 3d1t s SER 234 CO 0.85 -0.74 0.79 0.72 0.98 0.00 0.00 173.24 175.84 3d1t s PHE 235 N -3.55 -0.29 -0.02 5.02 -0.12 -0.29 -2.00 117.98 116.73 3d1t s PHE 235 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 3d1t s PHE 235 Cb 0.03 0.62 0.02 0.00 -0.63 0.00 0.00 43.02 43.06 3d1t s PHE 235 CO -0.10 -0.88 0.02 0.08 -0.05 0.00 0.00 175.22 174.29 3d1t s VAL 236 N -3.53 0.00 -0.14 -2.49 1.01 0.20 -1.40 120.40 114.05 3d1t s VAL 236 Ca 0.08 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3d1t s VAL 236 Cb -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 36.38 36.27 3d1t s VAL 236 CO -0.03 0.08 -0.17 -0.69 0.00 0.00 0.00 175.10 174.29 3d1t s VAL 237 N 0.78 1.73 0.06 2.92 1.01 -0.47 -0.96 120.40 125.48 3d1t s VAL 237 Ca -0.07 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.24 3d1t s VAL 237 Cb -0.10 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.68 3d1t s VAL 237 CO -0.02 0.49 -0.23 -1.83 0.00 0.00 0.00 175.10 173.50 3d1t s GLU 238 N 1.15 1.82 -0.07 2.72 -1.05 -0.19 -1.04 118.70 122.05 3d1t s GLU 238 Ca -0.01 -1.11 0.04 0.00 -0.15 0.00 0.00 54.97 53.73 3d1t s GLU 238 Cb -0.14 -2.04 0.00 0.00 -0.44 0.00 0.00 34.13 31.51 3d1t s GLU 238 CO -0.06 0.51 -0.18 0.45 0.95 0.00 0.00 175.26 176.92 3d1t s SER 239 N -1.50 2.40 -0.19 0.83 0.15 -0.21 -0.64 113.70 114.54 3d1t s SER 239 Ca 0.13 -0.42 -0.02 0.00 0.70 0.00 0.00 55.95 56.35 3d1t s SER 239 Cb -0.10 -0.98 -0.00 0.00 -1.71 0.00 0.00 66.02 63.23 3d1t s SER 239 CO 0.04 0.12 -0.11 -0.70 1.20 0.00 0.00 173.24 173.79 3d1t s GLU 240 N 0.36 3.25 -0.34 5.44 2.12 0.23 -1.77 118.70 128.00 3d1t s GLU 240 Ca -0.13 -0.70 -0.11 0.00 0.36 0.00 0.00 54.97 54.39 3d1t s GLU 240 Cb -0.16 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.45 3d1t s GLU 240 CO 0.05 -0.12 0.19 -0.80 -0.54 0.00 0.00 175.26 174.04 3d1t s ASN 241 N 1.19 5.71 -1.53 -1.70 0.02 0.51 -1.23 114.94 117.92 3d1t s ASN 241 Ca 0.02 -0.69 -0.11 0.00 -1.02 0.00 0.00 52.86 51.06 3d1t s ASN 241 Cb -0.14 -2.04 -0.01 0.00 0.02 0.00 0.00 41.25 39.08 3d1t s ASN 241 CO -0.04 -0.28 2.58 0.49 0.02 0.00 0.00 177.10 179.87 3d1t n PHE 242 N 5.01 2.92 -1.55 2.20 3.72 -1.04 -1.71 117.46 127.01 3d1t n PHE 242 Ca -0.13 -3.02 -0.49 0.00 -0.05 0.00 0.00 57.45 53.76 3d1t n PHE 242 Cb 0.48 -2.46 -0.04 0.00 -0.94 0.00 0.00 39.48 36.52 3d1t n PHE 242 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 3d1t n GLU 243 N 4.54 0.96 -0.03 -1.08 0.28 -1.26 -4.61 120.64 119.43 3d1t n GLU 243 Ca 0.65 0.34 0.10 0.00 -0.16 0.00 0.00 57.16 58.10 3d1t n GLU 243 Cb 0.30 -1.77 0.49 0.00 1.43 0.00 0.00 31.44 31.90 3d1t n GLU 243 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 3d1t n SER 244 N 1.88 0.78 -0.09 -1.84 3.41 -1.26 -3.08 113.62 113.42 3d1t n SER 244 Ca 0.15 -1.53 0.04 0.00 -0.26 0.00 0.00 58.87 57.27 3d1t n SER 244 Cb 0.24 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.12 3d1t n SER 244 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3d1t n ILE 245 N -0.28 0.00 -4.52 -1.33 -5.35 -1.26 -5.03 119.36 101.59 3d1t n ILE 245 Ca 0.16 -0.36 -0.24 0.00 -0.27 0.00 0.00 62.75 62.03 3d1t n ILE 245 Cb 0.19 1.05 -0.11 0.00 -1.74 0.00 0.00 39.64 39.03 3d1t n ILE 245 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3d1t s HIS 246 N -1.48 2.20 -0.40 4.28 3.76 -1.18 -5.05 115.29 117.43 3d1t s HIS 246 Ca 0.05 -0.82 0.06 0.00 -0.15 0.00 0.00 55.06 54.20 3d1t s HIS 246 Cb 0.06 -1.48 0.58 0.00 1.11 0.00 0.00 32.58 32.85 3d1t s HIS 246 CO 0.27 0.22 1.71 -1.71 -0.85 0.00 0.00 174.74 174.38 3d1t n ASN 247 N -0.80 3.53 -3.27 1.40 5.15 -1.26 -4.77 115.26 115.24 3d1t n ASN 247 Ca -0.04 -3.71 -0.18 0.00 -0.60 0.00 0.00 54.58 50.06 3d1t n ASN 247 Cb 0.67 -0.75 -0.06 0.00 -0.53 0.00 0.00 39.78 39.10 3d1t n ASN 247 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 3d1t s HIS 248 N -3.33 1.50 0.06 1.20 -3.43 -1.26 -5.13 115.29 104.89 3d1t s HIS 248 Ca 0.52 -1.53 0.06 0.00 -0.80 0.00 0.00 55.06 53.31 3d1t s HIS 248 Cb 0.45 -0.46 -0.04 0.00 -1.43 0.00 0.00 32.58 31.10 3d1t s HIS 248 CO 0.05 -0.99 -0.13 -1.12 -2.00 0.00 0.00 174.74 170.55 3d1t s SER 249 N -3.33 4.17 0.40 7.38 0.01 -1.26 -4.06 113.70 117.00 3d1t s SER 249 Ca 0.37 -0.36 -0.23 0.00 1.31 0.00 0.00 55.95 57.04 3d1t s SER 249 Cb 0.01 -0.78 -0.10 0.00 0.21 0.00 0.00 66.02 65.36 3d1t s SER 249 CO 0.25 0.23 0.97 0.00 0.41 0.00 0.00 173.24 175.10 3d1t s ALA 250 N -1.04 3.08 -0.13 1.44 0.00 -0.69 -4.89 121.76 119.53 3d1t s ALA 250 Ca 0.17 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 3d1t s ALA 250 Cb -0.11 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.86 3d1t s ALA 250 CO 0.08 0.07 0.37 -0.47 0.00 0.00 0.00 175.76 175.81 3d1t s TYR 251 N -1.94 -0.40 0.04 0.00 5.04 -1.26 -0.36 117.35 118.47 3d1t s TYR 251 Ca 0.59 0.97 -0.13 0.00 -2.44 0.00 0.00 57.07 56.05 3d1t s TYR 251 Cb -0.14 0.14 0.02 0.00 0.35 0.00 0.00 41.96 42.33 3d1t s TYR 251 CO 0.18 -0.20 0.29 0.00 -1.34 0.00 0.00 175.55 174.48 3d1t s ALA 252 N 0.14 -0.66 0.04 3.97 0.00 -0.73 -4.99 121.76 119.53 3d1t s ALA 252 Ca -0.00 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 3d1t s ALA 252 Cb -0.03 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.40 3d1t s ALA 252 CO 0.01 -0.39 0.34 1.52 0.00 0.00 0.00 175.76 177.24 3d1t s TYR 253 N -2.39 -0.16 -0.06 0.00 -0.85 -1.26 -1.05 117.35 111.58 3d1t s TYR 253 Ca -0.06 0.07 0.03 0.00 -0.52 0.00 0.00 57.07 56.58 3d1t s TYR 253 Cb -0.01 0.14 0.01 0.00 0.38 0.00 0.00 41.96 42.47 3d1t s TYR 253 CO -0.02 -0.52 -0.13 0.42 -1.52 0.00 0.00 175.55 173.78 3d1t s ILE 254 N -2.48 1.15 -0.07 -3.49 1.01 -0.21 -4.97 121.20 112.14 3d1t s ILE 254 Ca -0.05 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3d1t s ILE 254 Cb -0.01 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.40 3d1t s ILE 254 CO -0.03 0.35 -0.12 0.00 0.00 0.00 0.00 174.94 175.15 3d1t s ALA 255 N 0.51 2.73 -0.08 9.38 0.00 -1.26 -1.36 121.76 131.68 3d1t s ALA 255 Ca -0.12 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 50.91 3d1t s ALA 255 Cb -0.14 -1.09 0.02 0.00 0.00 0.00 0.00 23.12 21.90 3d1t s ALA 255 CO 0.03 0.49 -0.09 -0.47 0.00 0.00 0.00 175.76 175.72 3d1t s TYR 256 N -0.49 1.34 0.00 0.00 5.04 -0.49 -5.01 117.35 117.74 3d1t s TYR 256 Ca 0.07 -0.56 0.00 0.00 -2.44 0.00 0.00 57.07 54.13 3d1t s TYR 256 Cb -0.12 -1.07 0.00 0.00 0.35 0.00 0.00 41.96 41.12 3d1t s TYR 256 CO 0.02 -0.37 0.00 -0.35 -1.34 0.00 0.00 175.55 173.51