#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h3o n VAL 57 N 0.00 0.00 -3.96 3.57 0.24 -1.26 -5.21 118.33 111.71 1h3o n VAL 57 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.34 62.16 1h3o n VAL 57 Cb 0.00 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.22 1h3o n VAL 57 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1h3o s LEU 58 N 0.00 1.82 0.25 1.34 2.96 -1.26 -5.16 118.68 118.63 1h3o s LEU 58 Ca 0.00 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.91 1h3o s LEU 58 Cb 0.00 -0.12 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 1h3o s LEU 58 CO 0.00 -0.00 0.40 0.42 -1.32 0.00 0.00 176.35 175.85 1h3o s THR 59 N 0.18 5.22 0.23 3.68 -4.23 -1.26 -4.99 115.64 114.47 1h3o s THR 59 Ca -0.01 -0.72 -0.08 0.00 -1.18 0.00 0.00 61.69 59.69 1h3o s THR 59 Cb -0.03 -3.83 0.20 0.00 1.34 0.00 0.00 72.50 70.18 1h3o s THR 59 CO -0.00 -0.33 1.89 0.11 -0.54 0.00 0.00 174.62 175.75 1h3o h LYS 60 N 1.32 1.17 0.64 3.99 1.79 -2.00 -0.82 116.57 122.67 1h3o h LYS 60 Ca -0.50 -0.09 -0.03 0.00 -2.18 0.00 0.00 60.65 57.85 1h3o h LYS 60 Cb 1.22 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 31.61 1h3o h LYS 60 CO 0.63 0.80 -0.40 -0.22 -1.08 0.00 0.00 179.45 179.18 1h3o h LYS 61 N 1.20 -0.95 -0.86 3.15 1.63 -1.98 -0.14 116.57 118.62 1h3o h LYS 61 Ca 0.32 0.06 0.04 0.00 -0.85 0.00 0.00 60.65 60.22 1h3o h LYS 61 Cb -0.10 0.22 -0.05 0.00 -0.60 0.00 0.00 32.23 31.70 1h3o h LYS 61 CO -0.07 -0.63 0.56 -0.22 -3.45 0.00 0.00 179.45 175.65 1h3o h LYS 62 N -0.98 1.02 -0.41 1.90 1.63 -1.91 0.60 116.57 118.41 1h3o h LYS 62 Ca -0.08 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 1h3o h LYS 62 Cb 0.80 -0.23 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 1h3o h LYS 62 CO 0.08 0.67 0.26 1.25 -3.45 0.00 0.00 179.45 178.26 1h3o h LEU 63 N 1.05 0.49 -1.06 5.20 5.85 -0.95 -1.62 115.31 124.27 1h3o h LEU 63 Ca 0.35 -0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.95 1h3o h LEU 63 Cb 0.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1h3o h LEU 63 CO -0.11 0.38 -0.24 1.56 -0.34 0.00 0.00 178.44 179.69 1h3o h GLN 64 N 0.55 0.39 -0.47 1.25 4.20 0.18 0.36 115.11 121.57 1h3o h GLN 64 Ca 0.15 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1h3o h GLN 64 Cb -0.03 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1h3o h GLN 64 CO -0.03 0.60 0.07 -0.44 -0.67 0.00 0.00 178.83 178.37 1h3o h ASP 65 N 0.35 0.76 0.13 1.46 3.32 -0.64 0.21 116.42 121.99 1h3o h ASP 65 Ca 0.06 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1h3o h ASP 65 Cb 0.61 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1h3o h ASP 65 CO 0.04 0.83 -0.12 0.25 -1.72 0.00 0.00 179.24 178.52 1h3o h LEU 66 N 0.66 -0.30 -0.19 1.55 7.12 -0.41 0.11 115.31 123.85 1h3o h LEU 66 Ca 0.14 0.03 0.05 0.00 0.13 0.00 0.00 57.88 58.23 1h3o h LEU 66 Cb 0.39 0.11 -0.05 0.00 -0.53 0.00 0.00 40.66 40.58 1h3o h LEU 66 CO 0.01 -0.18 -0.14 0.58 -0.13 0.00 0.00 178.44 178.58 1h3o h VAL 67 N -0.26 0.59 -0.77 1.05 2.07 -0.72 -1.61 116.25 116.61 1h3o h VAL 67 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1h3o h VAL 67 Cb 0.25 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 1h3o h VAL 67 CO -0.03 0.00 0.41 -0.09 0.02 0.00 0.00 177.57 177.88 1h3o h ARG 68 N -0.15 0.66 -0.88 1.57 9.65 -0.23 -0.43 114.38 124.56 1h3o h ARG 68 Ca 0.11 -0.04 0.10 0.00 -1.10 0.00 0.00 59.98 59.05 1h3o h ARG 68 Cb 0.32 -0.15 -0.06 0.00 -1.39 0.00 0.00 29.97 28.69 1h3o h ARG 68 CO -0.28 0.43 0.57 1.49 2.80 0.00 0.00 179.97 184.98 1h3o h GLU 69 N 0.68 0.84 0.05 0.20 4.81 0.18 0.15 114.58 121.48 1h3o h GLU 69 Ca 0.38 -0.05 -0.26 0.00 -0.13 0.00 0.00 59.36 59.29 1h3o h GLU 69 Cb 0.39 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.60 1h3o h GLU 69 CO -0.27 0.55 -1.09 0.28 -0.73 0.00 0.00 179.01 177.75 1h3o h VAL 70 N 0.86 1.34 -1.33 0.32 2.07 -0.65 -3.43 116.25 115.42 1h3o h VAL 70 Ca 0.41 -2.45 -0.11 0.00 0.82 0.00 0.00 66.70 65.37 1h3o h VAL 70 Cb 0.42 2.54 -0.24 0.00 -1.52 0.00 0.00 31.29 32.49 1h3o h VAL 70 CO -0.17 0.74 -0.48 -0.62 0.02 0.00 0.00 177.57 177.06 1h3o s ASP 71 N -7.25 -0.64 0.41 0.57 3.68 -0.32 -5.04 116.67 108.07 1h3o s ASP 71 Ca -0.08 -0.41 0.22 0.00 2.13 0.00 0.00 52.55 54.41 1h3o s ASP 71 Cb 0.07 1.55 1.20 0.00 -1.45 0.00 0.00 42.92 44.30 1h3o s ASP 71 CO 0.90 -0.28 1.74 1.55 0.13 0.00 0.00 175.17 179.21 1h3o h PRO 72 N 7.73 0.29 -3.57 4.34 0.13 -0.97 -3.21 132.00 136.74 1h3o h PRO 72 Ca -0.01 -0.02 -0.71 0.00 -0.87 0.00 0.00 66.00 64.39 1h3o h PRO 72 Cb 1.15 -0.07 -0.34 0.00 0.13 0.00 0.00 31.00 31.88 1h3o h PRO 72 CO 0.18 0.19 -0.26 0.54 -0.23 0.00 0.00 178.00 178.42 1h3o s ASN 73 N -5.07 5.55 0.00 1.44 6.03 -1.26 -4.89 114.94 116.74 1h3o s ASN 73 Ca -0.08 -2.95 0.00 0.00 -1.03 0.00 0.00 52.86 48.80 1h3o s ASN 73 Cb 0.26 -1.92 0.00 0.00 -3.03 0.00 0.00 41.25 36.57 1h3o s ASN 73 CO 0.80 -0.37 0.00 1.21 -2.03 0.00 0.00 177.10 176.71 1h3o n GLU 74 N 3.40 0.00 -2.82 3.55 2.13 -1.21 -5.13 120.64 120.56 1h3o n GLU 74 Ca 0.10 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.51 1h3o n GLU 74 Cb 0.39 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.07 1h3o n GLU 74 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1h3o s GLN 75 N 0.00 4.46 0.27 5.31 2.00 -1.26 -4.76 119.66 125.68 1h3o s GLN 75 Ca 0.00 1.21 -0.19 0.00 -2.00 0.00 0.00 55.36 54.38 1h3o s GLN 75 Cb 0.00 -3.49 -0.09 0.00 0.80 0.00 0.00 33.01 30.23 1h3o s GLN 75 CO 0.00 -0.12 0.76 -1.17 -0.50 0.00 0.00 175.29 174.26 1h3o s LEU 76 N 1.33 4.25 0.26 3.68 2.96 -1.26 -5.02 118.68 124.89 1h3o s LEU 76 Ca 0.45 1.44 -0.30 0.00 -0.22 0.00 0.00 54.13 55.50 1h3o s LEU 76 Cb -0.19 -3.80 -0.10 0.00 0.50 0.00 0.00 46.19 42.60 1h3o s LEU 76 CO 0.21 -0.06 1.45 -0.62 -1.32 0.00 0.00 176.35 176.01 1h3o s ASP 77 N -1.83 6.62 0.25 3.68 -1.08 -1.26 -4.82 116.67 118.24 1h3o s ASP 77 Ca 0.47 2.71 -0.05 0.00 -0.52 0.00 0.00 52.55 55.17 1h3o s ASP 77 Cb -0.15 -2.63 0.50 0.00 -1.46 0.00 0.00 42.92 39.18 1h3o s ASP 77 CO 0.20 -0.72 1.64 -0.08 0.52 0.00 0.00 175.17 176.74 1h3o h GLU 78 N 4.83 0.14 -0.56 4.34 4.81 -1.99 0.24 114.58 126.40 1h3o h GLU 78 Ca -0.46 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 58.79 1h3o h GLU 78 Cb 1.22 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1h3o h GLU 78 CO 0.77 0.10 0.37 -0.44 -0.73 0.00 0.00 179.01 179.07 1h3o h ASP 79 N 0.15 0.55 0.16 1.04 3.32 -1.99 0.16 116.42 119.81 1h3o h ASP 79 Ca 0.44 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.30 1h3o h ASP 79 Cb 0.80 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1h3o h ASP 79 CO -0.64 0.38 -0.72 0.58 -1.72 0.00 0.00 179.24 177.11 1h3o h VAL 80 N 0.64 1.35 -0.14 -1.35 2.07 -0.97 -3.10 116.25 114.75 1h3o h VAL 80 Ca 0.22 -2.08 -0.00 0.00 0.82 0.00 0.00 66.70 65.66 1h3o h VAL 80 Cb 0.10 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1h3o h VAL 80 CO -0.06 0.63 0.08 -0.33 0.02 0.00 0.00 177.57 177.92 1h3o h GLU 81 N 0.34 0.19 -0.82 1.57 5.08 0.71 -0.63 114.58 121.02 1h3o h GLU 81 Ca -0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1h3o h GLU 81 Cb 1.31 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1h3o h GLU 81 CO 0.13 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.70 1h3o n GLU 82 N -4.96 0.00 0.00 2.33 4.71 0.38 -0.98 120.64 122.12 1h3o n GLU 82 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 1h3o n GLU 82 Cb 0.05 -1.18 0.00 0.00 -1.01 0.00 0.00 31.44 29.30 1h3o n GLU 82 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1h3o n LEU 84 N 0.69 0.00 -0.07 -4.62 4.77 -0.24 -0.69 117.00 116.84 1h3o n LEU 84 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 1h3o n LEU 84 Cb 0.00 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.41 1h3o n LEU 84 CO 0.00 0.00 1.11 -0.07 -1.33 0.00 0.00 177.39 177.10 1h3o h LEU 85 N 0.00 0.62 -0.42 2.23 3.38 -1.31 -0.45 115.31 119.36 1h3o h LEU 85 Ca 0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1h3o h LEU 85 Cb 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1h3o h LEU 85 CO 0.00 0.52 -0.13 -0.61 0.09 0.00 0.00 178.44 178.32 1h3o h GLN 86 N 0.70 0.83 -0.79 1.13 4.15 -1.16 -2.58 115.11 117.39 1h3o h GLN 86 Ca 0.18 -0.33 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 1h3o h GLN 86 Cb 0.06 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.67 1h3o h GLN 86 CO -0.03 0.96 0.37 0.82 -1.93 0.00 0.00 178.83 179.02 1h3o h ILE 87 N 0.65 1.25 -0.76 2.39 1.08 -1.57 -1.52 117.51 119.03 1h3o h ILE 87 Ca 0.10 -0.71 -0.03 0.00 -0.39 0.00 0.00 64.86 63.83 1h3o h ILE 87 Cb 0.67 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.63 1h3o h ILE 87 CO 0.05 0.30 0.35 0.00 -0.69 0.00 0.00 178.15 178.16 1h3o h ALA 88 N 1.28 1.18 -0.04 1.87 0.00 -0.97 0.30 119.26 122.87 1h3o h ALA 88 Ca 0.27 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1h3o h ALA 88 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1h3o h ALA 88 CO -0.03 0.62 0.02 -0.44 0.00 0.00 0.00 179.25 179.42 1h3o h ASP 89 N 1.09 0.06 -0.80 0.00 3.32 -0.98 -0.59 116.42 118.52 1h3o h ASP 89 Ca 0.26 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1h3o h ASP 89 Cb 0.14 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 1h3o h ASP 89 CO -0.03 0.15 0.45 0.44 -1.72 0.00 0.00 179.24 178.53 1h3o h ASP 90 N -0.04 0.99 0.14 6.45 3.32 -0.92 -1.20 116.42 125.16 1h3o h ASP 90 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1h3o h ASP 90 Cb 0.11 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1h3o h ASP 90 CO -0.00 0.79 -0.07 0.15 -1.72 0.00 0.00 179.24 178.39 1h3o h PHE 91 N 1.12 -0.17 -0.71 4.55 3.57 -0.66 0.23 116.94 124.87 1h3o h PHE 91 Ca 0.28 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.81 1h3o h PHE 91 Cb 0.01 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.76 1h3o h PHE 91 CO 0.01 -0.04 0.45 0.82 -2.23 0.00 0.00 178.31 177.31 1h3o h ILE 92 N -0.26 1.10 0.87 1.41 2.04 -0.90 0.67 117.51 122.43 1h3o h ILE 92 Ca -0.02 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1h3o h ILE 92 Cb 0.21 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1h3o h ILE 92 CO 0.03 0.16 -0.46 -0.08 0.00 0.00 0.00 178.15 177.80 1h3o h GLU 93 N 0.87 -1.17 -0.39 2.37 4.57 -0.98 -1.51 114.58 118.33 1h3o h GLU 93 Ca 0.29 0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1h3o h GLU 93 Cb 0.02 0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 1h3o h GLU 93 CO -0.11 -0.78 0.15 0.66 -1.18 0.00 0.00 179.01 177.75 1h3o h SER 94 N -1.22 0.55 0.87 1.04 4.64 -0.83 -1.27 113.55 117.33 1h3o h SER 94 Ca -0.12 -0.17 -0.04 0.00 -0.47 0.00 0.00 61.79 60.99 1h3o h SER 94 Cb 0.95 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.90 1h3o h SER 94 CO 0.17 0.57 -0.42 0.58 -0.87 0.00 0.00 176.83 176.86 1h3o h VAL 95 N 0.49 0.07 -0.85 0.95 2.07 -0.89 0.16 116.25 118.26 1h3o h VAL 95 Ca 0.13 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.66 1h3o h VAL 95 Cb 0.20 0.08 -0.07 0.00 -1.52 0.00 0.00 31.29 29.97 1h3o h VAL 95 CO -0.01 0.00 0.49 0.58 0.02 0.00 0.00 177.57 178.65 1h3o h VAL 96 N -1.25 0.91 -0.12 2.57 2.07 -1.33 0.18 116.25 119.27 1h3o h VAL 96 Ca -0.12 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1h3o h VAL 96 Cb 0.90 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1h3o h VAL 96 CO 0.20 0.15 0.07 0.74 0.02 0.00 0.00 177.57 178.75 1h3o h THR 97 N 0.82 1.07 -0.04 2.57 2.02 -1.12 -0.32 112.91 117.89 1h3o h THR 97 Ca 0.41 -0.18 -0.08 0.00 0.77 0.00 0.00 66.41 67.33 1h3o h THR 97 Cb 0.37 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 1h3o h THR 97 CO -0.25 0.06 -0.33 0.00 0.37 0.00 0.00 175.52 175.37 1h3o h ALA 98 N 0.99 1.36 0.07 6.16 0.00 -0.22 -2.86 119.26 124.77 1h3o h ALA 98 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1h3o h ALA 98 Cb 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1h3o h ALA 98 CO -0.01 0.46 -0.03 0.00 0.00 0.00 0.00 179.25 179.67 1h3o h ALA 99 N 1.59 -0.09 -0.97 0.00 0.00 -0.32 -2.66 119.26 116.81 1h3o h ALA 99 Ca 0.01 -0.21 0.26 0.00 0.00 0.00 0.00 54.91 54.96 1h3o h ALA 99 Cb 0.63 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 1h3o h ALA 99 CO 0.05 -0.33 0.67 0.00 0.00 0.00 0.00 179.25 179.63 1h3o h GLN 101 N 0.20 0.01 -0.52 0.00 4.20 -1.28 0.79 115.11 118.51 1h3o h GLN 101 Ca 0.49 -0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.27 1h3o h GLN 101 Cb 1.60 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.32 1h3o h GLN 101 CO -0.12 0.32 0.20 -0.07 -0.67 0.00 0.00 178.83 178.49 1h3o h LEU 102 N -0.30 0.22 0.58 1.46 4.07 -0.02 0.11 115.31 121.44 1h3o h LEU 102 Ca 0.00 0.06 -0.03 0.00 0.08 0.00 0.00 57.88 57.99 1h3o h LEU 102 Cb 0.31 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1h3o h LEU 102 CO 0.00 0.15 -0.29 0.00 -1.08 0.00 0.00 178.44 177.22 1h3o h ALA 103 N 1.33 -0.80 -0.95 1.53 0.00 -0.86 -1.64 119.26 117.88 1h3o h ALA 103 Ca 0.25 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.21 1h3o h ALA 103 Cb 0.25 0.32 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1h3o h ALA 103 CO -0.24 -0.95 0.63 -0.09 0.00 0.00 0.00 179.25 178.60 1h3o h ARG 104 N -0.80 0.36 -0.63 0.00 2.43 -0.47 0.36 114.38 115.64 1h3o h ARG 104 Ca -0.08 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.99 1h3o h ARG 104 Cb 0.62 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1h3o h ARG 104 CO 0.12 0.24 0.07 1.25 -1.51 0.00 0.00 179.97 180.14 1h3o h HIS 105 N 0.37 1.13 0.00 2.20 2.76 -0.17 -0.26 115.15 121.18 1h3o h HIS 105 Ca 0.50 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.51 1h3o h HIS 105 Cb 1.32 -0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.97 1h3o h HIS 105 CO -0.00 0.97 0.00 0.54 -1.30 0.00 0.00 177.93 178.14 1h3o n ARG 106 N -4.20 0.19 -2.43 5.26 1.74 0.12 -4.68 116.66 112.66 1h3o n ARG 106 Ca 0.04 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.96 1h3o n ARG 106 Cb 0.31 -1.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 1h3o n ARG 106 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1h3o n LYS 107 N -0.77 -1.85 -3.48 5.56 4.76 -0.11 -4.99 118.16 117.27 1h3o n LYS 107 Ca 0.02 0.71 -0.22 0.00 -2.87 0.00 0.00 58.31 55.95 1h3o n LYS 107 Cb 0.01 -5.05 0.01 0.00 -1.84 0.00 0.00 35.03 28.16 1h3o n LYS 107 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1h3o n SER 108 N -1.00 2.49 0.00 4.39 2.88 -0.97 -5.02 113.62 116.38 1h3o n SER 108 Ca -0.15 -2.64 0.00 0.00 -1.33 0.00 0.00 58.87 54.75 1h3o n SER 108 Cb 0.62 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1h3o n SER 108 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1h3o n SER 109 N -1.90 0.00 -4.43 -3.46 3.41 -1.26 -4.16 113.62 101.82 1h3o n SER 109 Ca -0.00 -0.94 -0.35 0.00 -0.26 0.00 0.00 58.87 57.32 1h3o n SER 109 Cb 0.55 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.37 1h3o n SER 109 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1h3o s THR 110 N 0.00 3.87 0.04 6.66 2.01 -1.26 -5.06 115.64 121.89 1h3o s THR 110 Ca 0.00 -0.34 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 1h3o s THR 110 Cb 0.00 -2.75 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 1h3o s THR 110 CO 0.00 0.43 1.24 -0.22 -0.69 0.00 0.00 174.62 175.38 1h3o s LEU 111 N 1.02 4.35 0.07 4.42 0.20 -1.26 -4.97 118.68 122.50 1h3o s LEU 111 Ca 0.02 2.01 0.04 0.00 0.69 0.00 0.00 54.13 56.89 1h3o s LEU 111 Cb -0.14 -3.57 -0.03 0.00 -0.43 0.00 0.00 46.19 42.01 1h3o s LEU 111 CO 0.01 -0.54 -0.12 -1.61 -0.29 0.00 0.00 176.35 173.80 1h3o s GLU 112 N 1.45 0.76 0.27 1.98 2.02 -1.26 -5.04 118.70 118.88 1h3o s GLU 112 Ca 0.59 -0.93 -0.08 0.00 0.02 0.00 0.00 54.97 54.57 1h3o s GLU 112 Cb -0.29 -0.68 0.45 0.00 0.10 0.00 0.00 34.13 33.70 1h3o s GLU 112 CO 0.27 0.14 1.50 0.28 0.02 0.00 0.00 175.26 177.48 1h3o n VAL 113 N 1.24 -0.40 -0.34 2.63 0.31 -1.26 0.40 118.33 120.91 1h3o n VAL 113 Ca -0.21 2.21 0.02 0.00 -0.01 0.00 0.00 64.34 66.34 1h3o n VAL 113 Cb 0.55 -3.05 0.08 0.00 -0.91 0.00 0.00 33.84 30.50 1h3o n VAL 113 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1h3o n LYS 114 N -5.57 -0.15 0.18 5.55 4.01 -1.26 0.26 118.16 121.18 1h3o n LYS 114 Ca 0.15 1.40 -0.14 0.00 -0.51 0.00 0.00 58.31 59.21 1h3o n LYS 114 Cb 0.48 -2.08 -0.08 0.00 -0.51 0.00 0.00 35.03 32.84 1h3o n LYS 114 CO 0.00 0.00 0.00 -0.44 -1.11 0.00 0.00 177.40 175.85 1h3o h ASP 115 N 0.00 -0.36 -0.37 4.39 3.32 -0.40 -0.68 116.42 122.32 1h3o h ASP 115 Ca 0.37 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.43 1h3o h ASP 115 Cb 0.59 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1h3o h ASP 115 CO -0.91 -0.25 0.21 0.58 -1.72 0.00 0.00 179.24 177.15 1h3o h VAL 116 N -0.40 1.14 -0.59 -1.35 2.07 -0.63 -2.57 116.25 113.93 1h3o h VAL 116 Ca -0.04 -0.36 0.04 0.00 0.82 0.00 0.00 66.70 67.16 1h3o h VAL 116 Cb 0.31 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1h3o h VAL 116 CO 0.06 0.15 0.33 -0.61 0.02 0.00 0.00 177.57 177.51 1h3o h GLN 117 N 0.47 0.62 -0.58 1.57 4.15 -0.11 -0.21 115.11 121.03 1h3o h GLN 117 Ca 0.13 -0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.54 1h3o h GLN 117 Cb 0.05 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.56 1h3o h GLN 117 CO -0.02 0.41 0.34 1.25 -1.93 0.00 0.00 178.83 178.88 1h3o h LEU 118 N 0.64 0.54 -0.16 -2.39 5.85 -0.89 -0.71 115.31 118.20 1h3o h LEU 118 Ca 0.25 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.95 1h3o h LEU 118 Cb 0.10 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1h3o h LEU 118 CO -0.14 0.38 -0.03 -0.74 -0.34 0.00 0.00 178.44 177.56 1h3o h HIS 119 N 0.67 0.34 -0.44 1.25 2.76 -1.04 -2.01 115.15 116.68 1h3o h HIS 119 Ca 0.24 -0.07 0.07 0.00 -2.20 0.00 0.00 60.37 58.41 1h3o h HIS 119 Cb 0.05 -0.08 -0.06 0.00 1.55 0.00 0.00 27.41 28.87 1h3o h HIS 119 CO -0.06 0.57 0.08 -0.07 -1.30 0.00 0.00 177.93 177.14 1h3o h LEU 120 N 0.01 -0.01 -0.37 0.26 3.38 -0.76 0.33 115.31 118.15 1h3o h LEU 120 Ca 0.04 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1h3o h LEU 120 Cb 0.46 0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1h3o h LEU 120 CO 0.01 0.03 0.16 -0.33 0.09 0.00 0.00 178.44 178.40 1h3o h GLU 121 N 0.21 0.54 -0.02 1.13 5.08 -1.13 0.38 114.58 120.78 1h3o h GLU 121 Ca 0.22 -0.09 -0.13 0.00 -1.00 0.00 0.00 59.36 58.36 1h3o h GLU 121 Cb 0.28 -0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.44 1h3o h GLU 121 CO -0.29 0.50 -0.49 0.00 -1.00 0.00 0.00 179.01 177.73 1h3o h ARG 122 N 0.45 0.36 0.00 2.33 3.08 -0.87 -1.62 114.38 118.10 1h3o h ARG 122 Ca 0.12 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1h3o h ARG 122 Cb 0.15 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1h3o h ARG 122 CO -0.01 1.04 -1.66 1.04 -1.07 0.00 0.00 179.97 179.30 1h3o n GLN 123 N -4.30 0.56 -0.00 0.04 1.13 0.11 -4.47 117.38 110.45 1h3o n GLN 123 Ca -0.10 -0.11 0.01 0.00 -1.94 0.00 0.00 57.00 54.86 1h3o n GLN 123 Cb 0.61 -1.58 -0.01 0.00 0.11 0.00 0.00 30.24 29.38 1h3o n GLN 123 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1h3o n TRP 124 N -2.24 0.00 -2.54 1.08 7.02 0.08 -5.04 117.44 115.79 1h3o n TRP 124 Ca -0.02 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.43 1h3o n TRP 124 Cb 0.53 -0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.39 1h3o n TRP 124 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1h3o n ASN 125 N -1.10 -3.94 -2.72 -0.99 4.05 0.11 -4.93 115.26 105.75 1h3o n ASN 125 Ca 0.00 1.46 0.02 0.00 0.45 0.00 0.00 54.58 56.51 1h3o n ASN 125 Cb 0.02 -4.63 0.01 0.00 1.23 0.00 0.00 39.78 36.41 1h3o n ASN 125 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 1h3o s TRP 127 N -0.53 -0.15 0.00 1.20 0.52 -1.26 -4.91 118.94 113.81 1h3o s TRP 127 Ca -0.15 0.03 0.00 0.00 0.02 0.00 0.00 56.10 55.99 1h3o s TRP 127 Cb 0.01 0.03 0.00 0.00 -1.15 0.00 0.00 33.47 32.36 1h3o s TRP 127 CO 0.42 -0.10 0.19 0.44 0.02 0.00 0.00 176.95 177.92