#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s1h n THR 66 N 0.00 0.00 -1.12 1.39 -2.24 -1.26 -4.73 114.28 106.31 1s1h n THR 66 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 1s1h n THR 66 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1s1h n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s1h n GLY 67 N 0.00 0.68 2.41 3.38 0.00 -1.26 0.83 105.19 111.23 1s1h n GLY 67 Ca 0.00 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.47 1s1h n GLY 67 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s1h n ASN 68 N 0.19 -5.32 0.20 1.61 3.02 -1.26 -4.73 115.26 108.97 1s1h n ASN 68 Ca -0.04 0.11 0.04 0.00 -0.03 0.00 0.00 54.58 54.65 1s1h n ASN 68 Cb 0.23 -4.49 0.44 0.00 -0.61 0.00 0.00 39.78 35.35 1s1h n ASN 68 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1s1h h LYS 69 N 0.00 0.03 -0.26 3.52 3.64 0.10 0.62 116.57 124.23 1s1h h LYS 69 Ca -0.43 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1s1h h LYS 69 Cb 1.31 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1s1h h LYS 69 CO 0.53 0.26 0.08 0.82 -2.27 0.00 0.00 179.45 178.87 1s1h h ILE 70 N 0.03 1.20 -0.54 2.00 2.04 -1.85 -0.93 117.51 119.46 1s1h h ILE 70 Ca 0.00 -0.62 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 1s1h h ILE 70 Cb 0.43 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1s1h h ILE 70 CO 0.03 0.20 0.22 0.24 0.00 0.00 0.00 178.15 178.85 1s1h h MET 71 N 0.25 0.80 -0.74 2.37 2.86 -0.43 0.26 114.93 120.30 1s1h h MET 71 Ca 0.08 -0.14 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1s1h h MET 71 Cb 0.24 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1s1h h MET 71 CO -0.00 0.70 0.27 -0.09 1.06 0.00 0.00 176.91 178.84 1s1h h ARG 72 N 0.73 1.13 -0.70 1.72 2.43 0.10 0.38 114.38 120.17 1s1h h ARG 72 Ca 0.18 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1s1h h ARG 72 Cb 0.19 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1s1h h ARG 72 CO -0.02 0.93 0.17 0.97 -1.51 0.00 0.00 179.97 180.51 1s1h h ILE 73 N 1.09 1.26 -0.02 1.20 -0.00 -0.52 0.13 117.51 120.64 1s1h h ILE 73 Ca 0.25 -0.97 -0.00 0.00 -0.00 0.00 0.00 64.86 64.13 1s1h h ILE 73 Cb 0.25 0.56 -0.00 0.00 -0.00 0.00 0.00 36.82 37.63 1s1h h ILE 73 CO -0.01 0.37 0.01 0.25 -0.00 0.00 0.00 178.15 178.77 1s1h h LEU 74 N 1.05 0.03 -0.45 2.19 6.46 0.46 0.94 115.31 125.98 1s1h h LEU 74 Ca 0.22 -0.10 -0.08 0.00 -0.12 0.00 0.00 57.88 57.80 1s1h h LEU 74 Cb 0.38 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 1s1h h LEU 74 CO 0.00 0.12 -0.02 0.07 -0.62 0.00 0.00 178.44 178.00 1s1h h LYS 75 N -0.06 0.81 -0.05 1.25 5.09 -0.01 -2.34 116.57 121.27 1s1h h LYS 75 Ca 0.01 -0.27 -0.08 0.00 0.09 0.00 0.00 60.65 60.40 1s1h h LYS 75 Cb 0.10 -0.07 -0.01 0.00 0.10 0.00 0.00 32.23 32.35 1s1h h LYS 75 CO -0.00 0.88 -0.33 0.77 -2.09 0.00 0.00 179.45 178.68 1s1h h SER 76 N 0.66 0.09 0.32 7.07 0.02 -0.60 -2.99 113.55 118.13 1s1h h SER 76 Ca 0.13 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1s1h h SER 76 Cb 0.53 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1s1h h SER 76 CO 0.03 0.42 -0.15 0.78 -1.14 0.00 0.00 176.83 176.76 1s1h h ASN 77 N 0.08 -0.37 0.00 3.07 -0.26 -0.26 -3.48 115.58 114.37 1s1h h ASN 77 Ca 0.01 -0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.67 1s1h h ASN 77 Cb 0.62 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.98 1s1h h ASN 77 CO 0.05 -0.14 0.00 0.61 -1.06 0.00 0.00 177.43 176.88 1s1h n GLY 78 N -0.88 2.57 0.16 2.83 0.00 -1.11 -4.80 105.19 103.97 1s1h n GLY 78 Ca -0.10 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.12 1s1h n GLY 78 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1s1h h LEU 79 N 0.00 0.00 -9.51 0.99 3.38 -1.90 -3.44 115.31 104.83 1s1h h LEU 79 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1s1h h LEU 79 Cb 0.00 0.00 0.18 0.00 0.09 0.00 0.00 40.66 40.93 1s1h h LEU 79 CO 0.00 0.51 -0.30 0.00 0.09 0.00 0.00 178.44 178.73 1s1h n ALA 80 N -2.40 -2.84 0.24 1.53 0.00 -1.26 -4.75 120.51 111.03 1s1h n ALA 80 Ca -0.01 -1.40 0.02 0.00 0.00 0.00 0.00 53.44 52.05 1s1h n ALA 80 Cb 0.54 -1.28 0.12 0.00 0.00 0.00 0.00 19.45 18.83 1s1h n ALA 80 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1s1h n PRO 81 N -3.50 0.09 -1.84 0.00 -0.02 -1.26 -4.80 135.00 123.67 1s1h n PRO 81 Ca 0.08 0.19 -0.08 0.00 -2.02 0.00 0.00 63.50 61.67 1s1h n PRO 81 Cb 0.48 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.45 1s1h n PRO 81 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1s1h n GLU 82 N -1.22 -0.58 -0.07 -0.52 1.02 -1.26 -4.90 120.64 113.11 1s1h n GLU 82 Ca 0.03 0.50 -0.13 0.00 -0.02 0.00 0.00 57.16 57.54 1s1h n GLU 82 Cb 0.03 -4.39 -0.06 0.00 -0.02 0.00 0.00 31.44 27.01 1s1h n GLU 82 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1s1h h ILE 83 N 0.00 1.32 -0.08 -3.67 2.04 -1.98 0.72 117.51 115.86 1s1h h ILE 83 Ca -0.17 -1.29 -0.09 0.00 1.00 0.00 0.00 64.86 64.31 1s1h h ILE 83 Cb 0.93 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.69 1s1h h ILE 83 CO 0.22 0.39 -0.35 -0.65 0.00 0.00 0.00 178.15 177.76 1s1h h PRO 84 N 0.17 0.16 -0.61 2.37 0.11 -1.97 -1.28 132.00 130.96 1s1h h PRO 84 Ca 0.04 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 1s1h h PRO 84 Cb 0.69 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1s1h h PRO 84 CO 0.04 0.50 0.12 0.93 -0.21 0.00 0.00 178.00 179.38 1s1h h GLU 85 N 0.14 1.00 -0.64 1.05 3.07 -1.83 -1.60 114.58 115.76 1s1h h GLU 85 Ca 0.02 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.61 1s1h h GLU 85 Cb 0.69 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.45 1s1h h GLU 85 CO 0.05 0.93 0.36 0.22 -1.40 0.00 0.00 179.01 179.17 1s1h h ASP 86 N 0.90 0.80 -0.79 1.42 3.58 0.12 0.18 116.42 122.63 1s1h h ASP 86 Ca 0.19 -0.09 0.04 0.00 0.42 0.00 0.00 57.03 57.59 1s1h h ASP 86 Cb 0.40 -0.20 -0.05 0.00 1.72 0.00 0.00 39.33 41.20 1s1h h ASP 86 CO 0.01 0.65 0.49 0.25 -2.88 0.00 0.00 179.24 177.76 1s1h h LEU 87 N 0.87 0.80 -0.36 2.28 7.12 -0.73 0.16 115.31 125.46 1s1h h LEU 87 Ca 0.23 0.01 -0.02 0.00 0.13 0.00 0.00 57.88 58.22 1s1h h LEU 87 Cb 0.02 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 39.97 1s1h h LEU 87 CO -0.04 0.54 0.15 1.88 -0.13 0.00 0.00 178.44 180.84 1s1h h TYR 88 N 0.94 0.54 -0.44 1.25 -1.99 -0.05 0.41 116.97 117.64 1s1h h TYR 88 Ca 0.33 -0.04 -0.01 0.00 2.00 0.00 0.00 58.73 61.01 1s1h h TYR 88 Cb 0.07 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 1s1h h TYR 88 CO -0.04 0.49 0.22 1.88 -0.00 0.00 0.00 178.16 180.71 1s1h h TYR 89 N 0.44 0.62 -0.70 4.88 0.05 0.10 -0.54 116.97 121.82 1s1h h TYR 89 Ca 0.12 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.85 1s1h h TYR 89 Cb 0.17 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1s1h h TYR 89 CO -0.01 0.49 0.31 -0.07 -1.05 0.00 0.00 178.16 177.83 1s1h h LEU 90 N 0.57 0.94 -0.77 3.88 4.07 -0.55 0.22 115.31 123.67 1s1h h LEU 90 Ca 0.15 -0.15 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 1s1h h LEU 90 Cb 0.09 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.55 1s1h h LEU 90 CO -0.02 0.83 0.33 0.16 -1.08 0.00 0.00 178.44 178.66 1s1h h ILE 91 N 0.98 1.25 -0.20 1.22 3.07 -0.23 0.21 117.51 123.82 1s1h h ILE 91 Ca 0.24 -0.77 -0.01 0.00 1.55 0.00 0.00 64.86 65.87 1s1h h ILE 91 Cb 0.16 0.33 -0.01 0.00 -0.27 0.00 0.00 36.82 37.03 1s1h h ILE 91 CO -0.02 0.32 0.09 0.11 -1.05 0.00 0.00 178.15 177.59 1s1h h LYS 92 N 1.10 0.28 -0.63 0.16 6.56 -0.31 -0.23 116.57 123.51 1s1h h LYS 92 Ca 0.26 -0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.75 1s1h h LYS 92 Cb 0.18 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.77 1s1h h LYS 92 CO -0.03 0.32 0.19 0.87 -2.06 0.00 0.00 179.45 178.74 1s1h h LYS 93 N 0.18 0.99 -0.59 3.15 1.79 -0.53 -2.40 116.57 119.16 1s1h h LYS 93 Ca 0.07 -0.22 -0.01 0.00 -2.18 0.00 0.00 60.65 58.30 1s1h h LYS 93 Cb 0.13 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1s1h h LYS 93 CO -0.01 0.88 0.32 0.00 -1.08 0.00 0.00 179.45 179.56 1s1h h ALA 94 N 1.07 0.76 -0.55 3.86 0.00 -0.37 -0.70 119.26 123.31 1s1h h ALA 94 Ca 0.20 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1s1h h ALA 94 Cb 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1s1h h ALA 94 CO -0.00 0.28 0.33 0.28 0.00 0.00 0.00 179.25 180.14 1s1h h VAL 95 N 0.80 1.17 -0.73 0.00 2.07 -0.67 0.74 116.25 119.63 1s1h h VAL 95 Ca 0.21 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1s1h h VAL 95 Cb 0.06 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1s1h h VAL 95 CO -0.03 0.17 0.41 0.28 0.02 0.00 0.00 177.57 178.41 1s1h h SER 96 N 0.74 0.91 -0.44 0.57 0.02 -0.95 0.26 113.55 114.66 1s1h h SER 96 Ca 0.20 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 1s1h h SER 96 Cb -0.02 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 1s1h h SER 96 CO -0.04 0.74 0.19 0.58 -1.14 0.00 0.00 176.83 177.16 1s1h h VAL 97 N 1.01 1.20 -0.87 2.27 2.07 0.43 0.68 116.25 123.04 1s1h h VAL 97 Ca 0.26 -0.59 0.01 0.00 0.82 0.00 0.00 66.70 67.20 1s1h h VAL 97 Cb 0.03 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1s1h h VAL 97 CO -0.04 0.22 0.57 -0.09 0.02 0.00 0.00 177.57 178.25 1s1h h ARG 98 N 0.57 1.15 -0.13 1.57 2.43 0.11 0.26 114.38 120.35 1s1h h ARG 98 Ca 0.15 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1s1h h ARG 98 Cb 0.17 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 1s1h h ARG 98 CO -0.01 0.76 0.07 -0.22 -1.51 0.00 0.00 179.97 179.06 1s1h h LYS 99 N 1.18 0.18 -0.75 0.20 3.64 0.99 -1.05 116.57 120.96 1s1h h LYS 99 Ca 0.32 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 1s1h h LYS 99 Cb -0.13 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.62 1s1h h LYS 99 CO -0.07 0.21 0.49 1.25 -2.27 0.00 0.00 179.45 179.06 1s1h h HIS 100 N 0.11 0.91 0.00 1.91 2.76 0.18 -0.78 115.15 120.24 1s1h h HIS 100 Ca 0.05 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.21 1s1h h HIS 100 Cb 0.08 -0.31 -0.00 0.00 1.55 0.00 0.00 27.41 28.73 1s1h h HIS 100 CO -0.04 0.55 -0.14 -0.07 -1.30 0.00 0.00 177.93 176.93 1s1h h LEU 101 N 0.97 0.00 -0.63 0.26 3.38 -0.06 -1.63 115.31 117.60 1s1h h LEU 101 Ca 0.29 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.36 1s1h h LEU 101 Cb -0.05 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.63 1s1h h LEU 101 CO -0.09 0.14 0.24 -0.08 0.09 0.00 0.00 178.44 178.74 1s1h h GLU 102 N 0.00 0.41 -6.88 1.13 4.57 0.18 -3.35 114.58 110.64 1s1h h GLU 102 Ca -0.00 -0.02 -0.45 0.00 -1.18 0.00 0.00 59.36 57.70 1s1h h GLU 102 Cb 0.37 -0.09 0.06 0.00 -0.16 0.00 0.00 28.75 28.92 1s1h h GLU 102 CO 0.02 0.27 -0.01 1.03 -1.18 0.00 0.00 179.01 179.14 1s1h s ARG 103 N -6.08 2.22 -1.22 1.92 0.52 -0.61 -4.59 118.95 111.10 1s1h s ARG 103 Ca -0.13 -1.06 -0.10 0.00 -0.52 0.00 0.00 55.73 53.92 1s1h s ARG 103 Cb 0.17 -2.47 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 1s1h s ARG 103 CO 0.75 -0.97 0.71 -1.71 0.02 0.00 0.00 175.30 174.10 1s1h n ASN 104 N -2.47 -3.46 0.23 0.23 2.85 -1.26 -4.80 115.26 106.59 1s1h n ASN 104 Ca 0.12 -0.94 0.06 0.00 -0.11 0.00 0.00 54.58 53.71 1s1h n ASN 104 Cb 0.60 -3.65 0.53 0.00 1.24 0.00 0.00 39.78 38.50 1s1h n ASN 104 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 1s1h h ARG 105 N -1.81 0.00 -0.73 1.20 3.08 -1.81 -2.23 114.38 112.08 1s1h h ARG 105 Ca -0.64 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.38 1s1h h ARG 105 Cb 1.36 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.37 1s1h h ARG 105 CO 0.52 0.17 0.34 0.87 -1.07 0.00 0.00 179.97 180.80 1s1h h LYS 106 N 0.00 1.05 -5.12 0.04 1.79 -1.91 -3.41 116.57 109.02 1s1h h LYS 106 Ca -0.00 -0.15 -0.03 0.00 -2.18 0.00 0.00 60.65 58.29 1s1h h LYS 106 Cb 0.30 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 30.76 1s1h h LYS 106 CO 0.02 0.82 0.34 -3.47 -1.08 0.00 0.00 179.45 176.08 1s1h n ASP 107 N -4.32 0.62 -0.04 0.86 -0.08 -0.84 -4.71 116.55 108.04 1s1h n ASP 107 Ca 0.07 -1.93 -0.16 0.00 -1.51 0.00 0.00 54.79 51.26 1s1h n ASP 107 Cb 0.15 -1.43 -0.08 0.00 2.34 0.00 0.00 41.12 42.10 1s1h n ASP 107 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1s1h h LYS 108 N 11.38 0.58 -0.53 -0.67 3.11 -1.87 -3.06 116.57 125.50 1s1h h LYS 108 Ca 0.00 -0.44 -0.05 0.00 -2.81 0.00 0.00 60.65 57.36 1s1h h LYS 108 Cb 1.01 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 1s1h h LYS 108 CO 1.05 1.06 0.12 0.38 -2.81 0.00 0.00 179.45 179.25 1s1h h ASP 109 N 0.22 0.76 -0.66 4.20 2.03 -1.99 0.32 116.42 121.29 1s1h h ASP 109 Ca -0.02 -0.14 -0.04 0.00 -0.73 0.00 0.00 57.03 56.10 1s1h h ASP 109 Cb 1.12 -0.20 -0.03 0.00 -0.83 0.00 0.00 39.33 39.39 1s1h h ASP 109 CO 0.10 0.75 0.26 0.00 -1.03 0.00 0.00 179.24 179.32 1s1h h ALA 110 N 1.35 1.16 -0.54 4.15 0.00 -1.95 -2.25 119.26 121.18 1s1h h ALA 110 Ca 0.17 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.92 1s1h h ALA 110 Cb 0.30 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1s1h h ALA 110 CO -0.00 0.60 0.36 0.87 0.00 0.00 0.00 179.25 181.07 1s1h h LYS 111 N 1.00 0.65 -1.00 0.00 1.57 -0.84 0.97 116.57 118.91 1s1h h LYS 111 Ca 0.23 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1s1h h LYS 111 Cb 0.21 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.33 1s1h h LYS 111 CO -0.02 0.43 0.66 0.35 -0.57 0.00 0.00 179.45 180.30 1s1h h PHE 112 N 0.67 1.26 -0.95 -1.35 3.57 -0.90 0.90 116.94 120.13 1s1h h PHE 112 Ca 0.21 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1s1h h PHE 112 Cb 0.01 -0.43 -0.05 0.00 2.79 0.00 0.00 35.95 38.27 1s1h h PHE 112 CO -0.00 0.79 0.63 0.00 -2.23 0.00 0.00 178.31 177.50 1s1h h ARG 113 N 1.36 1.21 -0.68 1.11 2.47 -0.79 0.14 114.38 119.20 1s1h h ARG 113 Ca 0.37 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.98 1s1h h ARG 113 Cb -0.16 -0.27 -0.03 0.00 -1.65 0.00 0.00 29.97 27.86 1s1h h ARG 113 CO -0.08 0.80 0.30 1.25 0.56 0.00 0.00 179.97 182.80 1s1h h LEU 114 N 1.24 0.90 -0.70 3.04 5.85 -0.60 -1.77 115.31 123.27 1s1h h LEU 114 Ca 0.37 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.02 1s1h h LEU 114 Cb -0.06 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.69 1s1h h LEU 114 CO -0.10 0.78 0.42 0.40 -0.34 0.00 0.00 178.44 179.60 1s1h h ILE 115 N 0.97 1.04 -0.17 4.05 2.04 0.74 0.30 117.51 126.47 1s1h h ILE 115 Ca 0.23 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 1s1h h ILE 115 Cb 0.15 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1s1h h ILE 115 CO -0.03 0.14 0.02 -0.07 0.00 0.00 0.00 178.15 178.22 1s1h h LEU 116 N 0.79 0.28 -0.31 1.44 4.07 -0.60 -0.74 115.31 120.25 1s1h h LEU 116 Ca 0.29 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 1s1h h LEU 116 Cb 0.10 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1s1h h LEU 116 CO -0.14 0.49 0.09 0.16 -1.08 0.00 0.00 178.44 177.96 1s1h h ILE 117 N 0.07 1.21 -0.85 1.22 3.07 -0.50 0.26 117.51 121.99 1s1h h ILE 117 Ca 0.05 -0.67 -0.01 0.00 1.55 0.00 0.00 64.86 65.78 1s1h h ILE 117 Cb 0.33 1.07 -0.04 0.00 -0.27 0.00 0.00 36.82 37.91 1s1h h ILE 117 CO 0.01 0.23 0.51 1.05 -1.05 0.00 0.00 178.15 178.89 1s1h h GLU 118 N 0.33 1.15 -0.17 0.16 4.11 -0.46 -0.40 114.58 119.31 1s1h h GLU 118 Ca 0.10 -0.11 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1s1h h GLU 118 Cb 0.26 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1s1h h GLU 118 CO -0.00 0.81 0.09 0.77 0.07 0.00 0.00 179.01 180.75 1s1h h SER 119 N 1.17 0.21 -0.58 3.06 0.02 -0.22 -1.28 113.55 115.92 1s1h h SER 119 Ca 0.30 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1s1h h SER 119 Cb -0.04 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1s1h h SER 119 CO -0.06 0.25 0.23 -0.09 -1.14 0.00 0.00 176.83 176.01 1s1h h ARG 120 N 0.16 0.92 -0.18 3.45 9.65 0.26 -0.15 114.38 128.49 1s1h h ARG 120 Ca 0.06 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1s1h h ARG 120 Cb 0.08 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1s1h h ARG 120 CO -0.01 0.77 0.06 0.82 2.80 0.00 0.00 179.97 184.41 1s1h h ILE 121 N 0.90 1.17 -0.70 1.20 2.04 -0.71 0.02 117.51 121.43 1s1h h ILE 121 Ca 0.21 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1s1h h ILE 121 Cb 0.21 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1s1h h ILE 121 CO -0.02 0.17 0.44 -0.74 0.00 0.00 0.00 178.15 178.00 1s1h h HIS 122 N 0.12 0.83 -0.53 1.37 2.76 -0.50 -1.48 115.15 117.73 1s1h h HIS 122 Ca 0.06 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1s1h h HIS 122 Cb 0.20 -0.27 -0.02 0.00 1.55 0.00 0.00 27.41 28.87 1s1h h HIS 122 CO -0.00 0.48 0.06 -0.09 -1.30 0.00 0.00 177.93 177.08 1s1h h ARG 123 N 0.87 0.89 -0.63 5.26 2.43 -0.76 -2.97 114.38 119.47 1s1h h ARG 123 Ca 0.28 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 59.12 1s1h h ARG 123 Cb -0.00 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 1s1h h ARG 123 CO -0.10 0.88 0.08 -0.07 -1.51 0.00 0.00 179.97 179.26 1s1h h LEU 124 N 0.77 0.99 -0.62 3.80 3.38 -0.03 -0.01 115.31 123.60 1s1h h LEU 124 Ca 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1s1h h LEU 124 Cb 0.44 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1s1h h LEU 124 CO 0.01 1.00 0.38 0.00 0.09 0.00 0.00 178.44 179.93 1s1h h ALA 125 N 1.12 0.79 -0.32 1.53 0.00 -1.21 0.58 119.26 121.75 1s1h h ALA 125 Ca 0.19 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1s1h h ALA 125 Cb 0.44 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1s1h h ALA 125 CO 0.01 0.25 0.13 -0.09 0.00 0.00 0.00 179.25 179.55 1s1h h ARG 126 N 0.84 0.47 -0.63 0.00 2.43 -1.22 -1.90 114.38 114.36 1s1h h ARG 126 Ca 0.22 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.26 1s1h h ARG 126 Cb -0.05 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.40 1s1h h ARG 126 CO -0.04 0.48 0.20 -0.92 -1.51 0.00 0.00 179.97 178.18 1s1h h TYR 127 N 0.36 1.02 -0.09 2.20 3.20 -0.41 -3.00 116.97 120.25 1s1h h TYR 127 Ca 0.11 -0.10 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1s1h h TYR 127 Cb 0.18 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.15 1s1h h TYR 127 CO -0.01 0.83 0.06 -0.92 -1.64 0.00 0.00 178.16 176.48 1s1h h TYR 128 N 0.91 0.12 0.00 -3.82 3.20 0.50 -3.51 116.97 114.37 1s1h h TYR 128 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1s1h h TYR 128 Cb 0.29 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.52 1s1h h TYR 128 CO 0.02 0.11 0.00 -2.13 -1.64 0.00 0.00 178.16 174.52