#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgq n ALA 125 N 0.00 -1.00 -0.05 3.17 0.00 0.54 -0.73 120.51 122.45 1dgq n ALA 125 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1dgq n ALA 125 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 19.45 16.80 1dgq n ALA 125 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1dgq n SER 126 N -2.22 0.00 0.02 0.00 7.64 -0.15 -4.26 113.62 114.65 1dgq n SER 126 Ca -0.05 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.90 1dgq n SER 126 Cb 0.56 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.26 1dgq n SER 126 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1dgq h LYS 127 N 0.00 0.39 0.00 1.43 1.63 -1.88 0.11 116.57 118.25 1dgq h LYS 127 Ca 0.00 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 1dgq h LYS 127 Cb 0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 1dgq h LYS 127 CO 0.00 0.26 0.00 0.41 -3.45 0.00 0.00 179.45 176.67 1dgq n GLY 128 N -1.51 -0.86 1.33 5.01 0.00 0.10 -4.95 105.19 104.31 1dgq n GLY 128 Ca 0.04 0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.25 1dgq n GLY 128 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dgq n ASN 129 N -1.69 -7.86 -3.60 1.61 0.23 0.39 -3.09 115.26 101.25 1dgq n ASN 129 Ca 0.02 1.01 -0.20 0.00 -0.53 0.00 0.00 54.58 54.87 1dgq n ASN 129 Cb 0.11 -4.34 -0.15 0.00 -2.08 0.00 0.00 39.78 33.31 1dgq n ASN 129 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1dgq s VAL 130 N -3.32 -0.21 -0.51 3.53 1.01 -0.20 -0.33 120.40 120.36 1dgq s VAL 130 Ca 0.00 0.08 -0.24 0.00 0.00 0.00 0.00 61.98 61.82 1dgq s VAL 130 Cb 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.95 1dgq s VAL 130 CO 0.00 -0.07 0.88 -1.81 0.00 0.00 0.00 175.10 174.09 1dgq s ASP 131 N 2.24 6.37 -0.39 3.32 1.01 0.43 -0.36 116.67 129.29 1dgq s ASP 131 Ca 0.04 -0.28 -0.09 0.00 0.71 0.00 0.00 52.55 52.93 1dgq s ASP 131 Cb -0.14 -2.41 0.06 0.00 1.01 0.00 0.00 42.92 41.43 1dgq s ASP 131 CO -0.08 -1.10 0.21 -0.22 0.21 0.00 0.00 175.17 174.18 1dgq s LEU 132 N 3.66 4.85 -0.35 1.23 0.20 0.26 -0.35 118.68 128.19 1dgq s LEU 132 Ca 0.30 -1.33 -0.18 0.00 0.69 0.00 0.00 54.13 53.62 1dgq s LEU 132 Cb -0.13 -1.96 -0.00 0.00 -0.43 0.00 0.00 46.19 43.67 1dgq s LEU 132 CO 0.20 -0.45 0.48 -0.69 -0.29 0.00 0.00 176.35 175.60 1dgq s VAL 133 N 1.44 5.05 -0.69 1.68 1.01 0.17 -0.52 120.40 128.53 1dgq s VAL 133 Ca 0.02 0.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.99 1dgq s VAL 133 Cb -0.21 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.27 1dgq s VAL 133 CO 0.03 -0.21 1.16 -0.36 0.00 0.00 0.00 175.10 175.72 1dgq s PHE 134 N 2.32 2.45 -0.98 5.22 0.08 0.24 -0.38 117.98 126.92 1dgq s PHE 134 Ca 0.17 -0.17 -0.18 0.00 0.12 0.00 0.00 56.93 56.88 1dgq s PHE 134 Cb -0.16 -4.49 0.14 0.00 -0.57 0.00 0.00 43.02 37.95 1dgq s PHE 134 CO 0.13 -1.88 1.18 -1.17 -0.10 0.00 0.00 175.22 173.38 1dgq s LEU 135 N 5.08 5.10 -0.15 -0.37 2.96 0.45 -0.59 118.68 131.16 1dgq s LEU 135 Ca 0.31 -2.25 -0.06 0.00 -0.22 0.00 0.00 54.13 51.91 1dgq s LEU 135 Cb -0.11 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 1dgq s LEU 135 CO 0.14 -0.99 0.06 0.72 -1.32 0.00 0.00 176.35 174.97 1dgq s PHE 136 N 2.39 3.30 0.09 5.38 -0.71 0.13 -0.84 117.98 127.72 1dgq s PHE 136 Ca 0.34 0.19 -0.30 0.00 -1.04 0.00 0.00 56.93 56.13 1dgq s PHE 136 Cb -0.05 -1.98 -0.05 0.00 -1.21 0.00 0.00 43.02 39.73 1dgq s PHE 136 CO -0.08 0.35 0.98 0.34 -1.34 0.00 0.00 175.22 175.48 1dgq s ASP 137 N -0.23 7.44 -0.31 1.98 2.15 0.46 -0.64 116.67 127.53 1dgq s ASP 137 Ca 0.08 1.79 0.16 0.00 0.43 0.00 0.00 52.55 55.01 1dgq s ASP 137 Cb -0.12 -2.58 0.47 0.00 -0.30 0.00 0.00 42.92 40.39 1dgq s ASP 137 CO 0.01 -0.14 1.08 0.61 -0.17 0.00 0.00 175.17 176.56 1dgq n GLY 138 N 2.43 3.08 3.83 2.66 0.00 0.56 -4.87 105.19 112.87 1dgq n GLY 138 Ca 0.03 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 1dgq n GLY 138 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dgq s SER 139 N -3.53 4.82 0.56 1.61 1.04 -1.25 -0.36 113.70 116.59 1dgq s SER 139 Ca 0.34 1.29 0.31 0.00 0.48 0.00 0.00 55.95 58.36 1dgq s SER 139 Cb 0.39 -2.05 1.46 0.00 0.10 0.00 0.00 66.02 65.92 1dgq s SER 139 CO -0.02 -1.76 1.85 -0.03 0.98 0.00 0.00 173.24 174.26 1dgq h MET 140 N -0.94 0.00 -0.54 4.02 4.05 -0.92 0.13 114.93 120.72 1dgq h MET 140 Ca -0.46 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 58.97 1dgq h MET 140 Cb 1.26 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.03 1dgq h MET 140 CO 0.60 0.00 0.36 0.66 0.23 0.00 0.00 176.91 178.76 1dgq h SER 141 N 0.00 0.61 -2.79 1.39 4.64 -1.92 -3.41 113.55 112.07 1dgq h SER 141 Ca 0.36 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 61.11 1dgq h SER 141 Cb 1.63 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 63.55 1dgq h SER 141 CO -0.00 0.44 0.96 -0.76 -0.87 0.00 0.00 176.83 176.60 1dgq s LEU 142 N -9.62 4.27 0.26 5.97 2.01 0.43 -5.03 118.68 116.97 1dgq s LEU 142 Ca -0.09 2.00 -0.03 0.00 0.01 0.00 0.00 54.13 56.01 1dgq s LEU 142 Cb 0.18 -3.54 -0.05 0.00 0.01 0.00 0.00 46.19 42.79 1dgq s LEU 142 CO 0.75 -0.82 0.50 -1.10 1.01 0.00 0.00 176.35 176.69 1dgq s GLN 143 N 3.48 3.59 0.17 1.70 -1.52 -1.26 -4.87 119.66 120.96 1dgq s GLN 143 Ca 0.64 -0.11 -0.27 0.00 -1.95 0.00 0.00 55.36 53.66 1dgq s GLN 143 Cb -0.28 -2.71 0.01 0.00 -0.22 0.00 0.00 33.01 29.80 1dgq s GLN 143 CO 0.23 0.28 1.55 -1.35 -0.25 0.00 0.00 175.29 175.75 1dgq h PRO 144 N 1.81 -0.11 -0.87 2.91 0.11 -1.98 0.49 132.00 134.36 1dgq h PRO 144 Ca -0.48 0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1dgq h PRO 144 Cb 1.19 0.03 -0.08 0.00 0.11 0.00 0.00 31.00 32.25 1dgq h PRO 144 CO 0.67 -0.08 0.51 0.22 -0.21 0.00 0.00 178.00 179.11 1dgq h ASP 145 N -0.12 0.72 -0.30 -2.05 3.58 -1.98 0.15 116.42 116.43 1dgq h ASP 145 Ca 0.19 0.05 -0.08 0.00 0.42 0.00 0.00 57.03 57.61 1dgq h ASP 145 Cb 0.51 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.47 1dgq h ASP 145 CO -0.84 0.40 -0.12 -0.33 -2.88 0.00 0.00 179.24 175.48 1dgq h GLU 146 N 0.83 0.60 -0.37 0.28 4.39 -1.37 -0.47 114.58 118.47 1dgq h GLU 146 Ca 0.43 -0.25 0.02 0.00 0.34 0.00 0.00 59.36 59.90 1dgq h GLU 146 Cb 0.41 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.01 1dgq h GLU 146 CO -0.26 0.82 0.20 0.35 -1.16 0.00 0.00 179.01 178.96 1dgq h PHE 147 N 0.36 0.37 -0.93 4.33 3.57 -0.29 0.66 116.94 125.01 1dgq h PHE 147 Ca 0.07 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.68 1dgq h PHE 147 Cb 0.62 -0.11 -0.07 0.00 2.79 0.00 0.00 35.95 39.18 1dgq h PHE 147 CO 0.06 0.20 0.60 1.96 -2.23 0.00 0.00 178.31 178.90 1dgq h GLN 148 N 0.41 0.91 -0.52 1.11 1.08 -0.46 0.12 115.11 117.76 1dgq h GLN 148 Ca 0.15 -0.05 -0.10 0.00 -1.45 0.00 0.00 58.65 57.19 1dgq h GLN 148 Cb 0.04 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 1dgq h GLN 148 CO -0.09 0.60 -0.09 0.87 -0.95 0.00 0.00 178.83 179.17 1dgq h LYS 149 N 0.93 0.95 -0.35 1.46 1.57 0.13 0.22 116.57 121.49 1dgq h LYS 149 Ca 0.43 -0.33 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1dgq h LYS 149 Cb 0.41 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.60 1dgq h LYS 149 CO -0.19 1.00 0.07 0.82 -0.57 0.00 0.00 179.45 180.57 1dgq h ILE 150 N 0.86 0.83 -0.16 1.86 1.08 0.47 -0.04 117.51 122.40 1dgq h ILE 150 Ca 0.14 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 64.58 1dgq h ILE 150 Cb 0.63 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 1dgq h ILE 150 CO 0.04 0.03 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.42 1dgq h LEU 151 N 0.19 -0.18 -0.62 1.44 3.38 -0.45 -2.69 115.31 116.37 1dgq h LEU 151 Ca 0.16 0.05 0.10 0.00 0.09 0.00 0.00 57.88 58.29 1dgq h LEU 151 Cb 0.18 0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 1dgq h LEU 151 CO -0.21 -0.07 0.22 -0.78 0.09 0.00 0.00 178.44 177.69 1dgq h ASP 152 N -0.02 0.20 0.14 -0.43 3.58 -0.05 0.95 116.42 120.79 1dgq h ASP 152 Ca 0.08 0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.63 1dgq h ASP 152 Cb 0.14 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.23 1dgq h ASP 152 CO -0.17 0.11 -0.33 0.15 -2.88 0.00 0.00 179.24 176.12 1dgq h PHE 153 N 0.39 -0.89 -0.03 0.28 3.04 -0.79 0.26 116.94 119.19 1dgq h PHE 153 Ca 0.32 0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.30 1dgq h PHE 153 Cb 0.42 0.38 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1dgq h PHE 153 CO -0.18 -0.44 -0.04 0.52 -2.02 0.00 0.00 178.31 176.16 1dgq h MET 154 N -0.56 -0.05 -0.75 1.11 2.86 -1.06 -2.19 114.93 114.28 1dgq h MET 154 Ca 0.03 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.82 1dgq h MET 154 Cb 0.59 0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.16 1dgq h MET 154 CO -0.18 -0.03 0.27 -0.22 1.06 0.00 0.00 176.91 177.80 1dgq h LYS 155 N -0.05 0.37 0.33 1.72 3.64 -0.59 -1.15 116.57 120.83 1dgq h LYS 155 Ca 0.03 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1dgq h LYS 155 Cb 0.09 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 1dgq h LYS 155 CO -0.07 0.25 -0.40 -0.44 -2.27 0.00 0.00 179.45 176.52 1dgq h ASP 156 N 0.38 -1.10 -0.32 4.20 3.32 0.12 0.12 116.42 123.14 1dgq h ASP 156 Ca 0.42 0.10 0.07 0.00 0.02 0.00 0.00 57.03 57.64 1dgq h ASP 156 Cb 0.67 0.38 -0.07 0.00 0.22 0.00 0.00 39.33 40.53 1dgq h ASP 156 CO -0.44 -0.53 -0.15 0.58 -1.72 0.00 0.00 179.24 176.98 1dgq h VAL 157 N -0.77 0.53 -0.17 -1.35 2.07 -0.96 0.44 116.25 116.05 1dgq h VAL 157 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 1dgq h VAL 157 Cb 0.71 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1dgq h VAL 157 CO -0.10 0.00 0.03 0.24 0.02 0.00 0.00 177.57 177.75 1dgq h MET 158 N -0.10 0.10 0.06 1.57 2.86 -0.98 -0.69 114.93 117.74 1dgq h MET 158 Ca 0.17 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1dgq h MET 158 Cb 0.35 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1dgq h MET 158 CO -0.39 0.06 -0.03 0.87 1.06 0.00 0.00 176.91 178.49 1dgq h LYS 159 N 0.10 -0.08 -0.20 1.72 1.79 -0.01 0.27 116.57 120.16 1dgq h LYS 159 Ca 0.08 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.56 1dgq h LYS 159 Cb 0.07 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1dgq h LYS 159 CO -0.11 -0.04 0.11 0.87 -1.08 0.00 0.00 179.45 179.21 1dgq h LYS 160 N -0.09 0.23 0.00 3.15 6.56 -0.78 -3.03 116.57 122.60 1dgq h LYS 160 Ca -0.01 -0.01 -0.10 0.00 -1.06 0.00 0.00 60.65 59.46 1dgq h LYS 160 Cb 0.07 -0.05 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 1dgq h LYS 160 CO 0.01 0.15 -0.49 -0.07 -2.06 0.00 0.00 179.45 176.99 1dgq h LEU 161 N 0.24 0.00 0.00 2.94 3.38 -1.03 -3.48 115.31 117.36 1dgq h LEU 161 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1dgq h LEU 161 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1dgq h LEU 161 CO -0.04 0.49 0.00 -1.54 0.09 0.00 0.00 178.44 177.45 1dgq n SER 162 N -3.22 0.00 -0.01 -0.43 3.41 0.93 -2.84 113.62 111.46 1dgq n SER 162 Ca 0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.62 1dgq n SER 162 Cb 0.73 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1dgq n SER 162 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1dgq n ASN 163 N 6.79 0.44 0.00 4.04 5.15 -1.26 -4.90 115.26 125.52 1dgq n ASN 163 Ca 0.00 0.07 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 1dgq n ASN 163 Cb 0.00 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 1dgq n ASN 163 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 1dgq n THR 164 N -2.93 0.00 -2.63 -0.44 -1.04 -1.13 -0.57 114.28 105.54 1dgq n THR 164 Ca -0.02 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.98 1dgq n THR 164 Cb 0.08 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.65 1dgq n THR 164 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1dgq n SER 165 N 1.74 0.11 -4.56 8.00 7.64 -1.26 -5.05 113.62 120.23 1dgq n SER 165 Ca 0.00 -2.09 -0.34 0.00 1.01 0.00 0.00 58.87 57.46 1dgq n SER 165 Cb 0.00 0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.14 1dgq n SER 165 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1dgq s TYR 166 N -1.44 2.90 -0.33 1.43 1.51 0.26 -1.04 117.35 120.64 1dgq s TYR 166 Ca 0.18 -0.01 0.02 0.00 -1.01 0.00 0.00 57.07 56.25 1dgq s TYR 166 Cb 0.34 -1.70 0.09 0.00 -0.11 0.00 0.00 41.96 40.57 1dgq s TYR 166 CO -0.08 0.30 0.03 -0.65 -1.11 0.00 0.00 175.55 174.04 1dgq s GLN 167 N -0.79 1.88 0.41 -0.62 1.11 0.51 -4.83 119.66 117.33 1dgq s GLN 167 Ca 0.12 -1.66 -0.09 0.00 0.01 0.00 0.00 55.36 53.74 1dgq s GLN 167 Cb -0.11 -3.20 -0.06 0.00 -1.01 0.00 0.00 33.01 28.63 1dgq s GLN 167 CO 0.01 -0.83 0.76 -0.06 0.01 0.00 0.00 175.29 175.18 1dgq s PHE 168 N 1.04 3.48 0.07 0.91 0.08 -1.26 -0.57 117.98 121.74 1dgq s PHE 168 Ca 0.04 0.99 -0.07 0.00 0.12 0.00 0.00 56.93 58.01 1dgq s PHE 168 Cb -0.20 -2.40 -0.01 0.00 -0.57 0.00 0.00 43.02 39.84 1dgq s PHE 168 CO -0.06 -0.12 0.14 0.00 -0.10 0.00 0.00 175.22 175.08 1dgq s ALA 169 N -2.41 -0.07 -0.03 5.36 0.00 0.32 -3.56 121.76 121.36 1dgq s ALA 169 Ca 0.50 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 1dgq s ALA 169 Cb -0.10 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.45 1dgq s ALA 169 CO 0.33 -0.46 0.08 0.00 0.00 0.00 0.00 175.76 175.71 1dgq s ALA 170 N -3.71 -0.12 -0.19 0.00 0.00 0.21 -0.60 121.76 117.36 1dgq s ALA 170 Ca 0.04 0.35 0.01 0.00 0.00 0.00 0.00 51.96 52.36 1dgq s ALA 170 Cb 0.05 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.96 1dgq s ALA 170 CO -0.10 -0.09 -0.16 0.08 0.00 0.00 0.00 175.76 175.49 1dgq s VAL 171 N 0.65 1.95 0.29 0.00 1.01 0.24 -0.36 120.40 124.18 1dgq s VAL 171 Ca -0.05 -1.05 -0.28 0.00 0.00 0.00 0.00 61.98 60.60 1dgq s VAL 171 Cb -0.07 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 34.35 1dgq s VAL 171 CO -0.02 0.36 1.01 -1.58 0.00 0.00 0.00 175.10 174.87 1dgq s GLN 172 N 1.29 4.64 0.03 2.72 0.74 0.23 -0.70 119.66 128.63 1dgq s GLN 172 Ca 0.01 1.58 0.02 0.00 0.05 0.00 0.00 55.36 57.02 1dgq s GLN 172 Cb -0.15 -3.07 -0.02 0.00 1.10 0.00 0.00 33.01 30.87 1dgq s GLN 172 CO -0.10 0.28 -0.08 -0.59 -0.55 0.00 0.00 175.29 174.25 1dgq s PHE 173 N -1.31 0.68 0.00 1.67 -0.71 0.19 -0.34 117.98 118.15 1dgq s PHE 173 Ca 0.46 -0.42 0.00 0.00 -1.04 0.00 0.00 56.93 55.93 1dgq s PHE 173 Cb -0.26 -0.41 0.00 0.00 -1.21 0.00 0.00 43.02 41.14 1dgq s PHE 173 CO 0.33 -0.06 0.00 0.45 -1.34 0.00 0.00 175.22 174.60 1dgq n SER 174 N 1.74 0.39 -0.27 1.98 2.88 -1.26 -0.33 113.62 118.76 1dgq n SER 174 Ca -0.21 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.36 1dgq n SER 174 Cb 0.55 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.17 1dgq n SER 174 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1dgq h THR 175 N 0.00 0.84 -2.76 2.46 2.02 -1.65 0.15 112.91 113.98 1dgq h THR 175 Ca 0.00 -0.22 -0.58 0.00 0.77 0.00 0.00 66.41 66.38 1dgq h THR 175 Cb 0.00 0.13 -0.06 0.00 -1.74 0.00 0.00 68.15 66.48 1dgq h THR 175 CO 0.00 0.12 -0.54 -0.94 0.37 0.00 0.00 175.52 174.53 1dgq s SER 176 N -5.51 5.77 0.02 4.18 1.04 -1.26 -4.52 113.70 113.42 1dgq s SER 176 Ca -0.12 -0.01 -0.04 0.00 0.48 0.00 0.00 55.95 56.25 1dgq s SER 176 Cb 0.19 -1.60 -0.04 0.00 0.10 0.00 0.00 66.02 64.67 1dgq s SER 176 CO 0.77 0.09 0.24 -0.72 0.98 0.00 0.00 173.24 174.60 1dgq s TYR 177 N -1.68 3.55 -0.24 5.02 -0.85 -1.26 -4.46 117.35 117.43 1dgq s TYR 177 Ca 0.32 0.46 -0.03 0.00 -0.52 0.00 0.00 57.07 57.30 1dgq s TYR 177 Cb -0.11 -1.91 0.11 0.00 0.38 0.00 0.00 41.96 40.43 1dgq s TYR 177 CO 0.25 0.61 0.24 0.21 -1.52 0.00 0.00 175.55 175.33 1dgq s LYS 178 N -1.97 0.24 -0.19 -3.49 2.20 0.54 -4.99 119.74 112.08 1dgq s LYS 178 Ca 0.29 -0.00 -0.29 0.00 -0.36 0.00 0.00 55.97 55.61 1dgq s LYS 178 Cb -0.13 -1.01 -0.07 0.00 -1.51 0.00 0.00 37.83 35.12 1dgq s LYS 178 CO 0.19 -0.83 2.17 2.41 -0.36 0.00 0.00 175.35 178.93 1dgq n THR 179 N 5.31 0.40 0.01 3.43 -1.04 -1.26 -0.60 114.28 120.52 1dgq n THR 179 Ca -0.04 -0.38 -0.17 0.00 -2.04 0.00 0.00 64.05 61.41 1dgq n THR 179 Cb 0.48 -2.41 -0.12 0.00 -1.82 0.00 0.00 70.33 66.45 1dgq n THR 179 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1dgq h GLU 180 N 13.92 0.31 -2.17 -2.82 4.39 -1.05 -3.47 114.58 123.69 1dgq h GLU 180 Ca -0.41 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 58.84 1dgq h GLU 180 Cb 1.25 0.12 -0.19 0.00 -0.10 0.00 0.00 28.75 29.82 1dgq h GLU 180 CO 0.96 1.09 0.11 -0.59 -1.16 0.00 0.00 179.01 179.42 1dgq s PHE 181 N -2.94 -0.60 0.37 4.33 -0.12 -0.81 -4.83 117.98 113.38 1dgq s PHE 181 Ca -0.14 1.09 0.05 0.00 -0.05 0.00 0.00 56.93 57.87 1dgq s PHE 181 Cb 0.02 0.34 0.05 0.00 -0.63 0.00 0.00 43.02 42.80 1dgq s PHE 181 CO 0.80 -0.54 0.38 -0.40 -0.05 0.00 0.00 175.22 175.41 1dgq n ASP 182 N 1.20 1.80 0.14 1.98 5.68 -1.26 -0.62 116.55 125.48 1dgq n ASP 182 Ca -0.19 -2.13 -0.13 0.00 -0.50 0.00 0.00 54.79 51.84 1dgq n ASP 182 Cb 0.57 -0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 40.35 1dgq n ASP 182 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1dgq h PHE 183 N 0.37 -0.77 -0.89 2.11 0.04 -1.60 -0.03 116.94 116.18 1dgq h PHE 183 Ca -0.20 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.61 1dgq h PHE 183 Cb 0.82 0.32 -0.05 0.00 2.20 0.00 0.00 35.95 39.24 1dgq h PHE 183 CO 0.00 -0.40 0.57 0.66 -0.60 0.00 0.00 178.31 178.55 1dgq h SER 184 N -0.53 0.95 0.17 2.17 4.64 -0.97 0.10 113.55 120.08 1dgq h SER 184 Ca 0.02 -0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1dgq h SER 184 Cb 0.54 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.38 1dgq h SER 184 CO -0.13 0.66 -0.31 0.44 -0.87 0.00 0.00 176.83 176.61 1dgq h ASP 185 N 1.12 -0.88 -0.37 4.97 3.32 -1.74 0.18 116.42 123.02 1dgq h ASP 185 Ca 0.35 0.10 0.08 0.00 0.02 0.00 0.00 57.03 57.58 1dgq h ASP 185 Cb 0.00 0.33 -0.08 0.00 0.22 0.00 0.00 39.33 39.80 1dgq h ASP 185 CO -0.12 -0.41 -0.16 0.22 -1.72 0.00 0.00 179.24 177.05 1dgq h TYR 186 N -0.56 -0.40 -0.76 4.55 3.20 -0.21 0.19 116.97 122.97 1dgq h TYR 186 Ca 0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1dgq h TYR 186 Cb 0.57 0.23 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 1dgq h TYR 186 CO -0.26 -0.24 0.48 0.28 -1.64 0.00 0.00 178.16 176.78 1dgq h VAL 187 N -0.10 1.21 0.41 1.81 2.07 -0.53 0.29 116.25 121.41 1dgq h VAL 187 Ca 0.18 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 1dgq h VAL 187 Cb 0.38 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1dgq h VAL 187 CO -0.43 0.21 -0.20 0.50 0.02 0.00 0.00 177.57 177.67 1dgq h LYS 188 N 1.04 -0.53 0.11 1.57 3.64 0.18 -3.37 116.57 119.21 1dgq h LYS 188 Ca 0.28 0.04 -0.34 0.00 -1.27 0.00 0.00 60.65 59.35 1dgq h LYS 188 Cb -0.07 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1dgq h LYS 188 CO -0.06 -0.25 -1.86 -1.49 -2.27 0.00 0.00 179.45 173.52 1dgq h TRP 189 N -0.76 0.40 -6.80 1.91 4.06 -0.93 -3.49 115.95 110.35 1dgq h TRP 189 Ca -0.06 -0.29 -0.56 0.00 2.06 0.00 0.00 58.89 60.04 1dgq h TRP 189 Cb 0.52 -0.02 -0.20 0.00 -1.00 0.00 0.00 29.16 28.47 1dgq h TRP 189 CO -0.00 1.57 -0.87 1.63 -3.56 0.00 0.00 178.44 177.20 1dgq n LYS 190 N -3.40 -2.59 -3.50 0.49 5.02 0.10 -4.95 118.16 109.32 1dgq n LYS 190 Ca -0.26 0.31 -0.20 0.00 -2.02 0.00 0.00 58.31 56.15 1dgq n LYS 190 Cb 1.05 -4.76 -0.13 0.00 -0.02 0.00 0.00 35.03 31.17 1dgq n LYS 190 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1dgq s ASP 191 N -3.63 1.59 0.19 4.39 -1.08 -1.26 -5.06 116.67 111.82 1dgq s ASP 191 Ca 0.52 -0.34 -0.15 0.00 -0.52 0.00 0.00 52.55 52.06 1dgq s ASP 191 Cb -0.29 0.28 0.18 0.00 -1.46 0.00 0.00 42.92 41.64 1dgq s ASP 191 CO 0.94 -0.34 1.64 -0.65 0.52 0.00 0.00 175.17 177.28 1dgq h PRO 192 N 8.33 -0.02 -0.72 4.34 0.11 -1.95 -0.40 132.00 141.70 1dgq h PRO 192 Ca -0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 1dgq h PRO 192 Cb 1.14 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1dgq h PRO 192 CO 0.29 -0.01 0.42 -0.44 -0.21 0.00 0.00 178.00 178.05 1dgq h ASP 193 N -0.02 0.87 0.32 -2.05 5.19 -1.97 0.20 116.42 118.98 1dgq h ASP 193 Ca 0.26 -0.07 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 1dgq h ASP 193 Cb 0.41 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.70 1dgq h ASP 193 CO -0.57 0.69 -0.16 0.00 -3.12 0.00 0.00 179.24 176.09 1dgq h ALA 194 N 1.22 -0.44 -0.72 3.45 0.00 -1.83 -2.51 119.26 118.43 1dgq h ALA 194 Ca 0.26 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1dgq h ALA 194 Cb -0.01 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1dgq h ALA 194 CO -0.05 -0.72 0.47 -0.07 0.00 0.00 0.00 179.25 178.89 1dgq h LEU 195 N -0.49 0.67 -0.20 0.00 3.38 -0.38 -0.74 115.31 117.55 1dgq h LEU 195 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1dgq h LEU 195 Cb 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1dgq h LEU 195 CO 0.07 0.44 -0.04 0.18 0.09 0.00 0.00 178.44 179.19 1dgq n LEU 196 N -4.48 0.35 0.16 1.67 4.77 0.65 -4.00 117.00 116.13 1dgq n LEU 196 Ca 0.10 -0.01 0.15 0.00 -0.03 0.00 0.00 56.01 56.23 1dgq n LEU 196 Cb 0.21 -0.11 0.74 0.00 -2.33 0.00 0.00 43.42 41.93 1dgq n LEU 196 CO 0.34 0.06 1.14 0.07 -1.33 0.00 0.00 177.39 177.66 1dgq h LYS 197 N 0.49 0.00 0.00 3.23 2.10 -0.67 -0.81 116.57 120.91 1dgq h LYS 197 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1dgq h LYS 197 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 1dgq h LYS 197 CO 0.00 0.00 0.00 1.58 -2.00 0.00 0.00 179.45 179.03 1dgq n HIS 198 N -4.18 0.66 -2.07 0.07 -0.00 -1.26 -4.72 115.22 103.72 1dgq n HIS 198 Ca 0.02 0.26 -0.28 0.00 0.46 0.00 0.00 57.72 58.19 1dgq n HIS 198 Cb 0.33 -0.93 -0.05 0.00 -0.12 0.00 0.00 29.99 29.22 1dgq n HIS 198 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 1dgq s VAL 199 N -3.27 3.49 -0.55 3.57 1.01 -0.31 -4.90 120.40 119.43 1dgq s VAL 199 Ca 0.04 -0.51 -0.22 0.00 0.00 0.00 0.00 61.98 61.29 1dgq s VAL 199 Cb 0.09 -4.17 0.05 0.00 0.00 0.00 0.00 36.38 32.35 1dgq s VAL 199 CO 0.35 -1.00 0.84 -0.54 0.00 0.00 0.00 175.10 174.75 1dgq s LYS 200 N 6.81 3.23 -0.01 2.72 1.02 -1.26 -5.01 119.74 127.24 1dgq s LYS 200 Ca 0.69 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.82 1dgq s LYS 200 Cb -0.05 -4.09 -0.08 0.00 -0.52 0.00 0.00 37.83 33.09 1dgq s LYS 200 CO 0.02 -1.44 1.95 -1.58 -0.92 0.00 0.00 175.35 173.38 1dgq s HIS 201 N 3.50 1.36 -0.03 3.18 2.46 -1.26 -4.92 115.29 119.58 1dgq s HIS 201 Ca 0.24 -0.26 -0.21 0.00 0.47 0.00 0.00 55.06 55.30 1dgq s HIS 201 Cb -0.15 -4.17 -0.14 0.00 -0.13 0.00 0.00 32.58 27.98 1dgq s HIS 201 CO 0.15 -5.17 0.93 0.52 -2.47 0.00 0.00 174.74 168.70 1dgq h MET 202 N 10.99 -0.38 -4.11 2.88 2.86 -1.95 -3.49 114.93 121.73 1dgq h MET 202 Ca -0.47 0.03 -0.24 0.00 -2.06 0.00 0.00 59.70 56.95 1dgq h MET 202 Cb 1.23 0.09 0.09 0.00 0.06 0.00 0.00 31.60 33.07 1dgq h MET 202 CO 0.95 -0.04 -0.44 1.28 1.06 0.00 0.00 176.91 179.71 1dgq n LEU 203 N -5.06 -2.99 0.00 1.22 4.77 0.51 -4.94 117.00 110.52 1dgq n LEU 203 Ca -0.08 -0.35 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1dgq n LEU 203 Cb 0.26 -2.11 0.00 0.00 -2.33 0.00 0.00 43.42 39.24 1dgq n LEU 203 CO 0.25 0.37 0.00 0.18 -1.33 0.00 0.00 177.39 176.86 1dgq n LEU 204 N -3.24 0.00 0.00 2.23 7.99 -1.26 -3.83 117.00 118.89 1dgq n LEU 204 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1dgq n LEU 204 Cb 0.56 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 1dgq n LEU 204 CO 0.40 0.00 0.00 0.18 -1.51 0.00 0.00 177.39 176.46 1dgq n LEU 205 N 0.00 0.00 -3.60 2.23 4.77 -1.26 -0.54 117.00 118.60 1dgq n LEU 205 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1dgq n LEU 205 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1dgq n LEU 205 CO 0.00 -0.21 -0.22 -0.89 -1.33 0.00 0.00 177.39 174.74 1dgq s THR 206 N -0.41 1.27 -1.41 -5.08 2.01 -1.26 -1.87 115.64 108.89 1dgq s THR 206 Ca 0.00 -3.08 -0.10 0.00 0.31 0.00 0.00 61.69 58.83 1dgq s THR 206 Cb 0.00 -1.86 0.07 0.00 0.01 0.00 0.00 72.50 70.71 1dgq s THR 206 CO 0.00 -1.10 2.32 -3.20 -0.69 0.00 0.00 174.62 171.95 1dgq n ASN 207 N 2.76 6.19 -0.05 3.53 2.85 0.53 -0.93 115.26 130.14 1dgq n ASN 207 Ca 0.22 -2.93 -0.11 0.00 -0.11 0.00 0.00 54.58 51.65 1dgq n ASN 207 Cb 0.41 -1.52 -0.05 0.00 1.24 0.00 0.00 39.78 39.86 1dgq n ASN 207 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1dgq h THR 208 N 3.40 1.23 0.34 -0.44 2.02 -1.85 0.11 112.91 117.72 1dgq h THR 208 Ca 0.61 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1dgq h THR 208 Cb 0.49 1.38 -0.03 0.00 -1.74 0.00 0.00 68.15 68.25 1dgq h THR 208 CO 1.70 0.23 -0.51 -0.26 0.37 0.00 0.00 175.52 177.04 1dgq h PHE 209 N 0.07 -1.45 -0.65 3.16 0.04 -1.85 0.18 116.94 116.44 1dgq h PHE 209 Ca 0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 1dgq h PHE 209 Cb 0.32 0.59 -0.03 0.00 2.20 0.00 0.00 35.95 39.03 1dgq h PHE 209 CO 0.02 -0.64 0.36 0.78 -0.60 0.00 0.00 178.31 178.23 1dgq h GLY 210 N -0.90 0.96 1.32 -1.45 0.00 -1.79 -0.81 103.07 100.40 1dgq h GLY 210 Ca -0.04 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.76 1dgq h GLY 210 CO -0.16 0.40 -0.25 0.00 0.00 0.00 0.00 176.54 176.53 1dgq h ALA 211 N 1.49 0.84 -0.14 3.60 0.00 -0.57 0.14 119.26 124.63 1dgq h ALA 211 Ca 0.23 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1dgq h ALA 211 Cb 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1dgq h ALA 211 CO -0.04 0.64 0.09 0.82 0.00 0.00 0.00 179.25 180.75 1dgq h ILE 212 N 0.67 1.06 -0.28 0.00 2.04 0.02 0.37 117.51 121.40 1dgq h ILE 212 Ca 0.09 -0.16 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1dgq h ILE 212 Cb 0.77 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.72 1dgq h ILE 212 CO 0.06 0.06 0.01 0.78 0.00 0.00 0.00 178.15 179.06 1dgq h ASN 213 N 0.16 -0.09 -0.09 1.72 2.35 -0.84 0.31 115.58 119.11 1dgq h ASN 213 Ca 0.05 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1dgq h ASN 213 Cb 0.02 0.10 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 1dgq h ASN 213 CO -0.01 -0.01 -0.35 0.22 -1.65 0.00 0.00 177.43 175.63 1dgq h TYR 214 N 0.10 -0.97 -0.16 1.19 3.20 -0.49 -2.24 116.97 117.59 1dgq h TYR 214 Ca 0.13 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.09 1dgq h TYR 214 Cb 0.17 0.44 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 1dgq h TYR 214 CO -0.20 -0.43 -0.22 0.28 -1.64 0.00 0.00 178.16 175.95 1dgq h VAL 215 N -0.45 0.45 -0.77 1.81 2.07 -0.54 0.39 116.25 119.21 1dgq h VAL 215 Ca 0.08 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.77 1dgq h VAL 215 Cb 0.58 0.45 -0.11 0.00 -1.52 0.00 0.00 31.29 30.69 1dgq h VAL 215 CO -0.34 0.00 0.24 0.00 0.02 0.00 0.00 177.57 177.50 1dgq h ALA 216 N 0.73 1.06 0.00 1.67 0.00 -0.51 -0.48 119.26 121.74 1dgq h ALA 216 Ca 0.11 0.16 -0.47 0.00 0.00 0.00 0.00 54.91 54.71 1dgq h ALA 216 Cb 0.43 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1dgq h ALA 216 CO -0.31 -0.31 -2.56 0.25 0.00 0.00 0.00 179.25 176.32 1dgq n THR 217 N -5.10 1.53 0.44 0.00 -2.24 -0.88 -4.31 114.28 103.71 1dgq n THR 217 Ca 0.16 -0.40 0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1dgq n THR 217 Cb 0.49 -1.86 -0.01 0.00 -2.10 0.00 0.00 70.33 66.84 1dgq n THR 217 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1dgq n GLU 218 N -4.21 0.37 -0.08 -0.78 -0.58 0.14 -4.52 120.64 110.98 1dgq n GLU 218 Ca -0.55 -0.01 -0.15 0.00 -0.42 0.00 0.00 57.16 56.03 1dgq n GLU 218 Cb 0.89 -1.61 -0.06 0.00 -0.57 0.00 0.00 31.44 30.09 1dgq n GLU 218 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1dgq n VAL 219 N -2.08 0.86 -1.19 2.62 0.31 -0.77 -4.72 118.33 113.36 1dgq n VAL 219 Ca 0.01 -0.25 -0.43 0.00 -0.01 0.00 0.00 64.34 63.66 1dgq n VAL 219 Cb 0.47 -1.53 -0.05 0.00 -0.91 0.00 0.00 33.84 31.81 1dgq n VAL 219 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1dgq n PHE 220 N -3.50 1.98 -4.54 3.52 3.72 -0.26 -4.74 117.46 113.63 1dgq n PHE 220 Ca -0.30 -1.88 -0.22 0.00 -0.05 0.00 0.00 57.45 55.00 1dgq n PHE 220 Cb 0.74 -1.76 -0.16 0.00 -0.94 0.00 0.00 39.48 37.36 1dgq n PHE 220 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1dgq s ARG 221 N 4.90 1.23 0.28 -1.08 0.52 -1.26 -4.81 118.95 118.72 1dgq s ARG 221 Ca 0.57 -0.41 -0.01 0.00 -0.52 0.00 0.00 55.73 55.35 1dgq s ARG 221 Cb 0.14 -1.11 0.44 0.00 0.52 0.00 0.00 34.95 34.94 1dgq s ARG 221 CO 0.11 0.16 1.89 1.49 0.02 0.00 0.00 175.30 178.97 1dgq h GLU 222 N 6.31 1.11 -0.81 3.54 4.81 -1.89 -0.51 114.58 127.15 1dgq h GLU 222 Ca -0.33 -0.07 0.12 0.00 -0.13 0.00 0.00 59.36 58.95 1dgq h GLU 222 Cb 1.17 -0.25 -0.06 0.00 0.63 0.00 0.00 28.75 30.24 1dgq h GLU 222 CO 0.48 0.73 0.53 1.05 -0.73 0.00 0.00 179.01 181.07 1dgq h GLU 223 N 1.14 0.62 -0.00 1.92 4.11 -1.96 0.19 114.58 120.60 1dgq h GLU 223 Ca 0.42 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.81 1dgq h GLU 223 Cb 0.17 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1dgq h GLU 223 CO -0.16 0.41 -0.03 1.28 0.07 0.00 0.00 179.01 180.58 1dgq n LEU 224 N -4.52 0.34 0.00 3.06 4.77 -0.33 -4.88 117.00 115.45 1dgq n LEU 224 Ca 0.15 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1dgq n LEU 224 Cb 0.41 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 1dgq n LEU 224 CO 0.32 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1dgq n GLY 225 N 1.14 1.05 3.56 -0.72 0.00 0.68 -0.39 105.19 110.50 1dgq n GLY 225 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1dgq n GLY 225 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dgq s ALA 226 N -2.00 2.16 0.04 4.61 0.00 -0.45 -4.60 121.76 121.53 1dgq s ALA 226 Ca 0.00 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.07 1dgq s ALA 226 Cb 0.00 -4.48 -0.09 0.00 0.00 0.00 0.00 23.12 18.55 1dgq s ALA 226 CO 0.00 -4.16 1.96 0.54 0.00 0.00 0.00 175.76 174.10 1dgq n ARG 227 N 8.97 2.85 0.06 0.00 1.74 -1.26 -3.80 116.66 125.23 1dgq n ARG 227 Ca 0.31 1.05 -0.01 0.00 -0.77 0.00 0.00 57.85 58.43 1dgq n ARG 227 Cb 0.49 -2.99 0.27 0.00 -1.02 0.00 0.00 32.46 29.21 1dgq n ARG 227 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1dgq h PRO 228 N 10.37 0.36 -0.16 5.56 0.13 -1.98 -2.72 132.00 143.55 1dgq h PRO 228 Ca -0.50 -0.12 -0.14 0.00 -0.87 0.00 0.00 66.00 64.38 1dgq h PRO 228 Cb 1.24 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1dgq h PRO 228 CO 0.94 0.57 -0.49 0.38 -0.23 0.00 0.00 178.00 179.17 1dgq h ASP 229 N 0.32 0.46 -1.97 1.44 2.03 -1.89 -3.46 116.42 113.35 1dgq h ASP 229 Ca 0.05 -0.23 -0.62 0.00 -0.73 0.00 0.00 57.03 55.50 1dgq h ASP 229 Cb 0.59 -0.13 0.13 0.00 -0.83 0.00 0.00 39.33 39.09 1dgq h ASP 229 CO 0.04 0.88 -0.36 0.00 -1.03 0.00 0.00 179.24 178.77 1dgq n ALA 230 N -2.49 -1.69 -1.67 4.15 0.00 -1.03 -4.78 120.51 113.00 1dgq n ALA 230 Ca -0.02 0.28 -0.44 0.00 0.00 0.00 0.00 53.44 53.27 1dgq n ALA 230 Cb 0.56 -1.76 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 1dgq n ALA 230 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1dgq n THR 231 N -0.40 0.62 -2.20 0.00 -1.04 0.55 -4.58 114.28 107.23 1dgq n THR 231 Ca 0.13 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.60 1dgq n THR 231 Cb 0.34 -2.17 0.00 0.00 -1.82 0.00 0.00 70.33 66.69 1dgq n THR 231 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1dgq n LYS 232 N 6.81 3.07 -3.38 -2.82 4.76 -1.26 -0.43 118.16 124.91 1dgq n LYS 232 Ca 0.20 -3.01 -0.38 0.00 -2.87 0.00 0.00 58.31 52.26 1dgq n LYS 232 Cb 0.37 -3.36 -0.07 0.00 -1.84 0.00 0.00 35.03 30.14 1dgq n LYS 232 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1dgq s VAL 233 N 3.45 5.21 -0.29 -0.18 1.01 0.53 -0.71 120.40 129.41 1dgq s VAL 233 Ca 0.50 0.78 0.02 0.00 0.00 0.00 0.00 61.98 63.28 1dgq s VAL 233 Cb 0.09 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.80 1dgq s VAL 233 CO -0.00 0.30 -0.00 -0.22 0.00 0.00 0.00 175.10 175.17 1dgq s LEU 234 N 0.93 3.58 -0.49 3.92 0.20 0.44 -0.66 118.68 126.60 1dgq s LEU 234 Ca 0.21 -1.68 -0.18 0.00 0.69 0.00 0.00 54.13 53.17 1dgq s LEU 234 Cb -0.15 -1.39 0.06 0.00 -0.43 0.00 0.00 46.19 44.28 1dgq s LEU 234 CO 0.08 -0.31 0.55 -0.63 -0.29 0.00 0.00 176.35 175.75 1dgq s ILE 235 N 1.17 4.98 0.09 6.68 1.01 0.49 -0.67 121.20 134.95 1dgq s ILE 235 Ca 0.02 -0.65 -0.30 0.00 0.00 0.00 0.00 60.65 59.73 1dgq s ILE 235 Cb -0.19 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.99 1dgq s ILE 235 CO -0.09 -0.73 1.03 -0.63 0.00 0.00 0.00 174.94 174.52 1dgq s ILE 236 N 2.33 4.38 -0.24 2.92 1.09 0.60 -0.41 121.20 131.87 1dgq s ILE 236 Ca 0.12 1.87 0.02 0.00 -1.10 0.00 0.00 60.65 61.56 1dgq s ILE 236 Cb -0.21 -4.20 0.06 0.00 -1.06 0.00 0.00 42.46 37.05 1dgq s ILE 236 CO 0.10 0.24 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.46 1dgq s ILE 237 N 0.37 1.88 -0.06 2.92 1.01 -0.02 -0.69 121.20 126.60 1dgq s ILE 237 Ca 0.51 -1.40 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1dgq s ILE 237 Cb -0.25 -2.03 0.02 0.00 0.01 0.00 0.00 42.46 40.20 1dgq s ILE 237 CO 0.30 -0.02 0.21 0.28 0.00 0.00 0.00 174.94 175.71 1dgq s THR 238 N 1.24 0.02 -0.72 2.92 -1.32 -0.42 -0.40 115.64 116.96 1dgq s THR 238 Ca -0.07 -0.16 0.22 0.00 -1.21 0.00 0.00 61.69 60.47 1dgq s THR 238 Cb -0.19 -0.36 -0.24 0.00 -1.51 0.00 0.00 72.50 70.20 1dgq s THR 238 CO -0.06 -0.09 0.83 -0.90 -2.21 0.00 0.00 174.62 172.19 1dgq n ASP 239 N 2.57 0.70 -4.48 8.08 5.75 -1.26 -0.53 116.55 127.37 1dgq n ASP 239 Ca -0.15 -0.65 -0.33 0.00 -0.01 0.00 0.00 54.79 53.65 1dgq n ASP 239 Cb 0.58 1.20 -0.13 0.00 -1.03 0.00 0.00 41.12 41.74 1dgq n ASP 239 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1dgq s GLY 240 N -3.44 1.55 0.60 6.12 0.00 -1.26 -2.96 107.32 107.94 1dgq s GLY 240 Ca 0.04 -0.96 -0.19 0.00 0.00 0.00 0.00 44.72 43.61 1dgq s GLY 240 CO 0.87 -0.70 1.12 1.18 0.00 0.00 0.00 173.10 175.56 1dgq n GLU 241 N 2.40 1.09 -2.34 2.90 1.02 -1.26 -4.84 120.64 119.61 1dgq n GLU 241 Ca -0.17 0.42 -0.36 0.00 -0.02 0.00 0.00 57.16 57.03 1dgq n GLU 241 Cb 0.52 -2.33 -0.03 0.00 -0.02 0.00 0.00 31.44 29.59 1dgq n GLU 241 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dgq s ALA 242 N -1.43 2.57 0.39 0.62 0.00 -1.26 -4.65 121.76 117.99 1dgq s ALA 242 Ca 0.77 -2.49 0.20 0.00 0.00 0.00 0.00 51.96 50.43 1dgq s ALA 242 Cb -0.41 -4.65 1.15 0.00 0.00 0.00 0.00 23.12 19.21 1dgq s ALA 242 CO 0.46 -4.20 1.73 1.79 0.00 0.00 0.00 175.76 175.54 1dgq h THR 243 N 5.98 0.43 0.00 0.00 1.35 -1.36 -1.58 112.91 117.73 1dgq h THR 243 Ca 0.32 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 66.05 1dgq h THR 243 Cb 0.91 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1dgq h THR 243 CO 1.35 0.06 -0.04 -0.78 -0.25 0.00 0.00 175.52 175.86 1dgq h ASP 244 N 0.34 0.00 -5.64 5.36 3.58 -1.87 -3.46 116.42 114.72 1dgq h ASP 244 Ca 0.66 0.00 -0.42 0.00 0.42 0.00 0.00 57.03 57.69 1dgq h ASP 244 Cb 1.71 0.00 0.07 0.00 1.72 0.00 0.00 39.33 42.82 1dgq h ASP 244 CO -0.36 0.04 -0.68 -1.20 -2.88 0.00 0.00 179.24 174.16 1dgq n SER 245 N -4.15 -5.84 0.00 2.28 7.64 -0.59 -4.97 113.62 107.99 1dgq n SER 245 Ca -0.03 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.32 1dgq n SER 245 Cb 0.13 -4.64 0.00 0.00 -1.01 0.00 0.00 64.21 58.69 1dgq n SER 245 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dgq n GLY 246 N -1.79 0.48 3.56 0.23 0.00 -1.26 -5.13 105.19 101.28 1dgq n GLY 246 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 1dgq n GLY 246 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dgq s ASN 247 N -1.00 0.05 0.00 1.61 2.20 -1.26 -5.08 114.94 111.46 1dgq s ASN 247 Ca 0.00 -1.04 0.06 0.00 -0.94 0.00 0.00 52.86 50.95 1dgq s ASN 247 Cb 0.00 0.59 0.10 0.00 -2.00 0.00 0.00 41.25 39.95 1dgq s ASN 247 CO 0.00 -1.16 0.98 2.30 -2.94 0.00 0.00 177.10 176.28 1dgq n ILE 248 N -0.40 0.00 -0.36 0.54 -5.35 -1.26 -4.55 119.36 107.98 1dgq n ILE 248 Ca -0.01 -0.24 0.06 0.00 -0.27 0.00 0.00 62.75 62.28 1dgq n ILE 248 Cb 0.62 0.56 0.23 0.00 -1.74 0.00 0.00 39.64 39.30 1dgq n ILE 248 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1dgq h ASP 249 N 0.24 0.95 -1.27 7.28 5.19 -1.98 0.12 116.42 126.96 1dgq h ASP 249 Ca -0.08 0.03 0.38 0.00 -0.62 0.00 0.00 57.03 56.74 1dgq h ASP 249 Cb 1.47 -0.17 -0.10 0.00 0.18 0.00 0.00 39.33 40.72 1dgq h ASP 249 CO 0.01 0.55 0.85 0.00 -3.12 0.00 0.00 179.24 177.53 1dgq h ALA 250 N 1.51 2.75 -0.43 3.45 0.00 -1.96 -0.51 119.26 124.08 1dgq h ALA 250 Ca 0.46 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1dgq h ALA 250 Cb 0.36 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1dgq h ALA 250 CO -0.22 -1.26 0.00 0.00 0.00 0.00 0.00 179.25 177.77 1dgq n ALA 251 N -2.59 2.39 -0.31 0.00 0.00 0.40 -4.74 120.51 115.66 1dgq n ALA 251 Ca 0.32 -1.35 0.18 0.00 0.00 0.00 0.00 53.44 52.59 1dgq n ALA 251 Cb 1.28 -0.61 0.44 0.00 0.00 0.00 0.00 19.45 20.56 1dgq n ALA 251 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1dgq h LYS 252 N 2.59 0.53 0.00 0.00 2.10 -0.85 0.55 116.57 121.49 1dgq h LYS 252 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 1dgq h LYS 252 Cb 0.93 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1dgq h LYS 252 CO 0.05 0.35 -0.26 -0.44 -2.00 0.00 0.00 179.45 177.15 1dgq h ASP 253 N 0.54 0.00 -3.58 7.07 3.32 -1.85 -3.46 116.42 118.46 1dgq h ASP 253 Ca 0.55 -0.08 -0.51 0.00 0.02 0.00 0.00 57.03 57.00 1dgq h ASP 253 Cb 1.16 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 1dgq h ASP 253 CO -0.29 0.04 0.02 -0.63 -1.72 0.00 0.00 179.24 176.65 1dgq s ILE 254 N -3.14 4.76 -0.84 0.35 1.01 0.18 -4.97 121.20 118.56 1dgq s ILE 254 Ca 0.09 0.82 -0.23 0.00 0.00 0.00 0.00 60.65 61.32 1dgq s ILE 254 Cb 0.12 -3.65 0.06 0.00 0.01 0.00 0.00 42.46 39.01 1dgq s ILE 254 CO 0.65 -0.07 1.23 -0.63 0.00 0.00 0.00 174.94 176.12 1dgq s ILE 255 N -1.84 4.10 -0.90 2.92 -1.09 0.11 -4.83 121.20 119.67 1dgq s ILE 255 Ca 0.50 -0.49 -0.25 0.00 -2.23 0.00 0.00 60.65 58.18 1dgq s ILE 255 Cb -0.12 -4.89 0.02 0.00 -1.58 0.00 0.00 42.46 35.90 1dgq s ILE 255 CO 0.19 -1.73 1.54 -0.13 -1.23 0.00 0.00 174.94 173.58 1dgq s ARG 256 N 4.56 3.22 0.13 2.79 3.00 -1.26 -0.42 118.95 130.98 1dgq s ARG 256 Ca 0.35 -0.61 -0.25 0.00 0.00 0.00 0.00 55.73 55.22 1dgq s ARG 256 Cb -0.07 -4.95 -0.07 0.00 0.00 0.00 0.00 34.95 29.86 1dgq s ARG 256 CO 0.02 -2.46 0.77 -0.47 0.00 0.00 0.00 175.30 173.15 1dgq s TYR 257 N 6.48 3.86 -0.04 -0.53 6.14 0.15 -1.32 117.35 132.09 1dgq s TYR 257 Ca 0.50 1.59 -0.01 0.00 0.64 0.00 0.00 57.07 59.79 1dgq s TYR 257 Cb -0.04 -2.78 0.03 0.00 0.42 0.00 0.00 41.96 39.59 1dgq s TYR 257 CO 0.00 0.45 0.02 -1.50 0.64 0.00 0.00 175.55 175.16 1dgq s ILE 258 N -0.83 0.08 -0.40 3.14 2.07 0.21 -0.29 121.20 125.18 1dgq s ILE 258 Ca 0.36 0.22 -0.16 0.00 -1.41 0.00 0.00 60.65 59.67 1dgq s ILE 258 Cb -0.22 -0.25 0.01 0.00 0.13 0.00 0.00 42.46 42.13 1dgq s ILE 258 CO 0.25 0.17 0.40 -0.63 -1.91 0.00 0.00 174.94 173.22 1dgq s ILE 259 N 1.56 5.13 -0.54 2.00 1.01 0.13 -0.58 121.20 129.92 1dgq s ILE 259 Ca -0.02 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 1dgq s ILE 259 Cb -0.13 -3.96 0.10 0.00 0.01 0.00 0.00 42.46 38.48 1dgq s ILE 259 CO -0.03 -0.31 0.56 -0.83 0.00 0.00 0.00 174.94 174.34 1dgq s GLY 260 N 1.77 1.93 0.27 6.18 0.00 0.23 -1.31 107.32 116.39 1dgq s GLY 260 Ca 0.11 -2.22 -0.30 0.00 0.00 0.00 0.00 44.72 42.32 1dgq s GLY 260 CO 0.13 1.34 1.33 -0.42 0.00 0.00 0.00 173.10 175.48 1dgq s ILE 261 N 2.13 2.90 0.00 0.90 -1.09 0.31 -0.54 121.20 125.80 1dgq s ILE 261 Ca 0.08 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1dgq s ILE 261 Cb -0.25 -3.51 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1dgq s ILE 261 CO 0.06 0.15 1.51 0.61 -1.23 0.00 0.00 174.94 176.04 1dgq n GLY 262 N 1.68 2.07 0.07 6.18 0.00 0.72 -2.74 105.19 113.18 1dgq n GLY 262 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 1dgq n GLY 262 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dgq h LYS 263 N 1.30 0.00 0.11 1.61 1.79 -1.80 -3.36 116.57 116.22 1dgq h LYS 263 Ca 0.00 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 58.11 1dgq h LYS 263 Cb 0.83 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 1dgq h LYS 263 CO 0.00 0.16 -1.97 0.72 -1.08 0.00 0.00 179.45 177.28 1dgq n HIS 264 N -4.61 1.18 0.87 -1.35 8.25 -1.15 -4.44 115.22 113.96 1dgq n HIS 264 Ca -0.10 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1dgq n HIS 264 Cb 0.29 -1.15 0.00 0.00 1.12 0.00 0.00 29.99 30.25 1dgq n HIS 264 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1dgq n PHE 265 N -3.55 0.00 -0.02 4.41 3.72 -1.11 -1.41 117.46 119.50 1dgq n PHE 265 Ca -0.33 -0.26 -0.07 0.00 -0.05 0.00 0.00 57.45 56.74 1dgq n PHE 265 Cb 1.02 -0.17 -0.13 0.00 -0.94 0.00 0.00 39.48 39.25 1dgq n PHE 265 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dgq n GLN 266 N 0.36 0.63 -2.85 -1.08 10.64 -1.26 -4.66 117.38 119.17 1dgq n GLN 266 Ca 0.00 0.27 -0.41 0.00 -1.83 0.00 0.00 57.00 55.02 1dgq n GLN 266 Cb 0.34 -1.78 -0.04 0.00 -0.86 0.00 0.00 30.24 27.91 1dgq n GLN 266 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1dgq s THR 267 N -2.64 4.88 0.21 -0.39 -4.23 -0.50 -4.96 115.64 108.02 1dgq s THR 267 Ca -0.05 1.74 -0.09 0.00 -1.18 0.00 0.00 61.69 62.11 1dgq s THR 267 Cb 0.08 -4.18 0.17 0.00 1.34 0.00 0.00 72.50 69.91 1dgq s THR 267 CO 0.82 0.07 1.70 0.50 -0.54 0.00 0.00 174.62 177.17 1dgq h LYS 268 N 7.13 0.24 -0.84 3.99 1.63 -1.89 0.13 116.57 126.96 1dgq h LYS 268 Ca -0.33 -0.01 0.15 0.00 -0.85 0.00 0.00 60.65 59.61 1dgq h LYS 268 Cb 1.15 -0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 32.63 1dgq h LYS 268 CO 0.82 0.16 0.42 1.05 -3.45 0.00 0.00 179.45 178.44 1dgq h GLU 269 N 0.25 0.56 -0.04 1.90 4.11 -1.96 0.44 114.58 119.85 1dgq h GLU 269 Ca 0.33 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.72 1dgq h GLU 269 Cb 0.50 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1dgq h GLU 269 CO -0.43 0.37 -0.00 0.77 0.07 0.00 0.00 179.01 179.80 1dgq h SER 270 N 0.58 0.07 -0.61 3.06 0.02 -1.11 -3.06 113.55 112.49 1dgq h SER 270 Ca 0.47 -0.32 0.12 0.00 -0.84 0.00 0.00 61.79 61.22 1dgq h SER 270 Cb 0.69 -0.02 -0.10 0.00 0.14 0.00 0.00 62.40 63.12 1dgq h SER 270 CO -0.38 0.37 0.07 1.56 -1.14 0.00 0.00 176.83 177.31 1dgq h GLN 271 N -0.24 0.19 -0.68 3.45 4.20 -0.17 -0.03 115.11 121.82 1dgq h GLN 271 Ca 0.01 -0.01 0.19 0.00 0.06 0.00 0.00 58.65 58.90 1dgq h GLN 271 Cb 0.33 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1dgq h GLN 271 CO 0.00 0.12 0.49 0.93 -0.67 0.00 0.00 178.83 179.70 1dgq h GLU 272 N 0.19 0.04 -0.41 1.46 4.39 -0.85 -0.58 114.58 118.82 1dgq h GLU 272 Ca 0.32 -0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.93 1dgq h GLU 272 Cb 0.51 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1dgq h GLU 272 CO -0.46 0.02 -0.11 1.79 -1.16 0.00 0.00 179.01 179.09 1dgq h THR 273 N 0.04 1.27 -0.70 1.13 1.35 -0.98 -2.93 112.91 112.10 1dgq h THR 273 Ca 0.33 -1.21 0.13 0.00 -0.55 0.00 0.00 66.41 65.11 1dgq h THR 273 Cb 1.25 1.20 -0.09 0.00 -1.73 0.00 0.00 68.15 68.79 1dgq h THR 273 CO -0.02 0.41 0.25 -0.07 -0.25 0.00 0.00 175.52 175.84 1dgq h LEU 274 N 0.62 0.20 -1.36 3.87 3.38 -1.10 -0.03 115.31 120.90 1dgq h LEU 274 Ca 0.10 0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.33 1dgq h LEU 274 Cb 0.64 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.42 1dgq h LEU 274 CO 0.04 0.09 0.56 0.45 0.09 0.00 0.00 178.44 179.67 1dgq h HIS 275 N 0.39 0.74 -0.01 1.13 3.86 -1.32 0.16 115.15 120.09 1dgq h HIS 275 Ca 0.37 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.44 1dgq h HIS 275 Cb 0.55 -0.23 0.01 0.00 1.06 0.00 0.00 27.41 28.80 1dgq h HIS 275 CO -0.19 0.26 -0.65 0.87 0.86 0.00 0.00 177.93 179.09 1dgq h LYS 276 N 0.62 0.46 -0.54 2.45 1.57 -1.01 -3.30 116.57 116.82 1dgq h LYS 276 Ca 0.44 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1dgq h LYS 276 Cb 0.79 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.20 1dgq h LYS 276 CO -0.19 1.13 0.28 0.74 -0.57 0.00 0.00 179.45 180.84 1dgq h PHE 277 N -0.01 0.75 -3.82 -1.35 0.04 -0.58 -3.45 116.94 108.53 1dgq h PHE 277 Ca -0.08 -0.02 -0.47 0.00 2.80 0.00 0.00 57.97 60.20 1dgq h PHE 277 Cb 1.34 -0.24 0.18 0.00 2.20 0.00 0.00 35.95 39.43 1dgq h PHE 277 CO 0.14 0.57 0.16 0.00 -0.60 0.00 0.00 178.31 178.57 1dgq s ALA 278 N -5.80 0.80 0.61 2.45 0.00 0.45 -4.77 121.76 115.51 1dgq s ALA 278 Ca -0.13 -0.03 -0.10 0.00 0.00 0.00 0.00 51.96 51.70 1dgq s ALA 278 Cb 0.12 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 1dgq s ALA 278 CO 0.77 -2.96 1.01 -1.12 0.00 0.00 0.00 175.76 173.45 1dgq s SER 279 N -3.02 6.17 0.08 0.00 0.01 -0.43 -4.87 113.70 111.64 1dgq s SER 279 Ca 0.66 1.34 -0.06 0.00 1.31 0.00 0.00 55.95 59.20 1dgq s SER 279 Cb -0.21 -2.40 -0.05 0.00 0.21 0.00 0.00 66.02 63.57 1dgq s SER 279 CO 0.60 -0.87 0.34 -0.54 0.41 0.00 0.00 173.24 173.17 1dgq s LYS 280 N -5.15 3.63 0.05 12.44 -0.14 -1.26 -3.44 119.74 125.87 1dgq s LYS 280 Ca 0.54 -0.05 -0.31 0.00 -1.36 0.00 0.00 55.97 54.80 1dgq s LYS 280 Cb -0.11 -2.96 -0.05 0.00 -1.68 0.00 0.00 37.83 33.02 1dgq s LYS 280 CO 0.53 0.55 1.19 -2.14 -0.76 0.00 0.00 175.35 174.72 1dgq s PRO 281 N -2.21 4.43 0.50 -1.68 0.02 -1.26 -4.98 135.00 129.82 1dgq s PRO 281 Ca 0.35 1.75 0.18 0.00 0.02 0.00 0.00 61.00 63.30 1dgq s PRO 281 Cb -0.13 -3.36 1.23 0.00 0.02 0.00 0.00 34.50 32.26 1dgq s PRO 281 CO 0.21 -0.26 2.05 0.00 -0.33 0.00 0.00 177.00 178.66 1dgq h ALA 282 N 6.85 2.17 -0.77 -1.55 0.00 -1.88 0.82 119.26 124.90 1dgq h ALA 282 Ca -0.41 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.61 1dgq h ALA 282 Cb 1.21 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1dgq h ALA 282 CO 0.81 -0.26 0.50 0.66 0.00 0.00 0.00 179.25 180.97 1dgq h SER 283 N 0.14 0.53 0.04 0.00 4.64 -1.89 0.18 113.55 117.20 1dgq h SER 283 Ca 0.17 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 1dgq h SER 283 Cb 0.50 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1dgq h SER 283 CO -0.02 0.30 -0.90 -0.33 -0.87 0.00 0.00 176.83 175.01 1dgq h GLU 284 N 0.58 0.08 0.00 4.77 4.39 -1.23 -3.40 114.58 119.77 1dgq h GLU 284 Ca 0.37 -0.14 -0.14 0.00 0.34 0.00 0.00 59.36 59.78 1dgq h GLU 284 Cb 0.62 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1dgq h GLU 284 CO -0.13 1.07 -0.78 0.74 -1.16 0.00 0.00 179.01 178.74 1dgq h PHE 285 N -0.77 0.00 -3.29 4.33 0.04 -1.10 -3.44 116.94 112.71 1dgq h PHE 285 Ca -0.22 0.00 -0.58 0.00 2.80 0.00 0.00 57.97 59.97 1dgq h PHE 285 Cb 1.36 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.43 1dgq h PHE 285 CO 0.17 0.64 -0.15 0.08 -0.60 0.00 0.00 178.31 178.44 1dgq s VAL 286 N -2.89 5.16 -0.27 -0.55 1.01 0.61 -0.62 120.40 122.85 1dgq s VAL 286 Ca 0.02 0.94 0.02 0.00 0.00 0.00 0.00 61.98 62.96 1dgq s VAL 286 Cb 0.08 -3.80 0.07 0.00 0.00 0.00 0.00 36.38 32.73 1dgq s VAL 286 CO 0.77 0.36 -0.03 -0.54 0.00 0.00 0.00 175.10 175.67 1dgq s LYS 287 N 0.39 1.61 -0.03 2.72 -0.14 0.25 -4.79 119.74 119.76 1dgq s LYS 287 Ca 0.26 -1.26 -0.30 0.00 -1.36 0.00 0.00 55.97 53.31 1dgq s LYS 287 Cb -0.15 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.24 1dgq s LYS 287 CO 0.11 -0.71 1.28 0.42 -0.76 0.00 0.00 175.35 175.69 1dgq s ILE 288 N 1.26 4.02 -0.39 2.17 -1.09 -1.26 -0.60 121.20 125.30 1dgq s ILE 288 Ca -0.01 1.37 0.02 0.00 -2.23 0.00 0.00 60.65 59.80 1dgq s ILE 288 Cb -0.19 -3.88 0.11 0.00 -1.58 0.00 0.00 42.46 36.92 1dgq s ILE 288 CO -0.08 0.00 0.14 -0.22 -1.23 0.00 0.00 174.94 173.55 1dgq s LEU 289 N 2.23 3.67 0.10 2.97 2.96 0.30 -4.92 118.68 125.98 1dgq s LEU 289 Ca 0.59 -2.31 -0.14 0.00 -0.22 0.00 0.00 54.13 52.05 1dgq s LEU 289 Cb -0.28 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1dgq s LEU 289 CO 0.24 -0.33 0.81 -0.67 -1.32 0.00 0.00 176.35 175.07 1dgq n ASP 290 N 4.01 -0.49 -4.01 3.68 2.03 -1.26 -0.20 116.55 120.32 1dgq n ASP 290 Ca 0.04 0.93 -0.12 0.00 0.52 0.00 0.00 54.79 56.15 1dgq n ASP 290 Cb 0.38 -0.15 -0.12 0.00 -0.72 0.00 0.00 41.12 40.52 1dgq n ASP 290 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 1dgq s THR 291 N -5.33 0.33 0.37 5.18 -4.23 -1.26 -3.10 115.64 107.59 1dgq s THR 291 Ca -0.07 -0.84 0.16 0.00 -1.18 0.00 0.00 61.69 59.76 1dgq s THR 291 Cb 0.07 -0.41 0.36 0.00 1.34 0.00 0.00 72.50 73.87 1dgq s THR 291 CO 0.34 -0.34 1.74 -0.26 -0.54 0.00 0.00 174.62 175.56 1dgq h PHE 292 N 4.85 0.79 -0.95 3.99 0.04 -1.98 0.73 116.94 124.42 1dgq h PHE 292 Ca -0.33 0.03 0.28 0.00 2.80 0.00 0.00 57.97 60.75 1dgq h PHE 292 Cb 1.20 -0.23 -0.17 0.00 2.20 0.00 0.00 35.95 38.96 1dgq h PHE 292 CO 0.61 0.04 0.16 0.93 -0.60 0.00 0.00 178.31 179.44 1dgq h GLU 293 N 0.44 0.07 0.00 1.51 3.07 -1.96 0.10 114.58 117.81 1dgq h GLU 293 Ca 0.63 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1dgq h GLU 293 Cb 1.47 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.36 1dgq h GLU 293 CO -0.38 0.04 0.00 1.63 -1.40 0.00 0.00 179.01 178.90 1dgq n LYS 294 N -5.38 0.61 -0.17 2.33 5.02 0.25 -3.46 118.16 117.37 1dgq n LYS 294 Ca 0.24 0.02 0.21 0.00 -2.02 0.00 0.00 58.31 56.77 1dgq n LYS 294 Cb 0.80 -1.50 0.60 0.00 -0.02 0.00 0.00 35.03 34.91 1dgq n LYS 294 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1dgq h LEU 295 N 0.00 0.22 -0.20 -0.35 3.38 -0.90 0.11 115.31 117.57 1dgq h LEU 295 Ca 0.00 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1dgq h LEU 295 Cb 0.09 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1dgq h LEU 295 CO 0.00 0.10 0.11 0.11 0.09 0.00 0.00 178.44 178.84 1dgq h LYS 296 N 0.23 0.28 0.03 1.13 1.79 -1.78 0.29 116.57 118.53 1dgq h LYS 296 Ca 0.41 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.84 1dgq h LYS 296 Cb 1.24 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1dgq h LYS 296 CO -0.09 0.27 -0.01 0.22 -1.08 0.00 0.00 179.45 178.76 1dgq h ASP 297 N 0.21 -0.03 -0.53 0.86 3.58 -1.29 -2.25 116.42 116.97 1dgq h ASP 297 Ca 0.07 -0.32 0.06 0.00 0.42 0.00 0.00 57.03 57.26 1dgq h ASP 297 Cb 0.08 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.08 1dgq h ASP 297 CO -0.01 0.30 0.24 0.25 -2.88 0.00 0.00 179.24 177.15 1dgq h LEU 298 N -0.37 0.32 -0.41 2.28 5.85 -0.87 -0.46 115.31 121.66 1dgq h LEU 298 Ca -0.00 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1dgq h LEU 298 Cb 0.35 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 1dgq h LEU 298 CO 0.01 0.22 -0.18 0.15 -0.34 0.00 0.00 178.44 178.30 1dgq h PHE 299 N 0.47 -0.44 -0.48 1.25 3.57 -0.33 0.19 116.94 121.17 1dgq h PHE 299 Ca 0.24 0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.84 1dgq h PHE 299 Cb 0.20 0.26 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1dgq h PHE 299 CO -0.12 -0.26 0.22 1.15 -2.23 0.00 0.00 178.31 177.07 1dgq h THR 300 N -0.10 0.92 0.44 4.41 2.02 -0.62 0.35 112.91 120.33 1dgq h THR 300 Ca 0.20 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1dgq h THR 300 Cb 0.41 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1dgq h THR 300 CO -0.48 0.08 -0.33 -0.08 0.37 0.00 0.00 175.52 175.08 1dgq h GLU 301 N 0.43 -0.73 -0.37 6.66 4.81 -0.01 -0.91 114.58 124.46 1dgq h GLU 301 Ca 0.21 0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1dgq h GLU 301 Cb 0.16 0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1dgq h GLU 301 CO -0.17 -0.49 0.08 -0.07 -0.73 0.00 0.00 179.01 177.62 1dgq h LEU 302 N -0.76 0.49 -0.33 1.64 3.38 -0.38 -1.38 115.31 117.97 1dgq h LEU 302 Ca -0.04 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1dgq h LEU 302 Cb 0.65 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1dgq h LEU 302 CO 0.00 0.51 0.22 -0.61 0.09 0.00 0.00 178.44 178.65 1dgq h GLN 303 N 0.53 0.44 -0.52 1.13 5.75 0.00 0.19 115.11 122.64 1dgq h GLN 303 Ca 0.12 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.49 1dgq h GLN 303 Cb 0.22 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 1dgq h GLN 303 CO -0.00 0.31 -0.08 1.57 -2.65 0.00 0.00 178.83 177.97 1dgq h LYS 304 N 0.45 0.94 -0.17 1.69 2.10 -0.64 0.89 116.57 121.83 1dgq h LYS 304 Ca 0.12 -0.32 0.04 0.00 -2.00 0.00 0.00 60.65 58.50 1dgq h LYS 304 Cb -0.04 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 31.17 1dgq h LYS 304 CO -0.03 0.98 -0.11 0.87 -2.00 0.00 0.00 179.45 179.16 1dgq h LYS 305 N 0.85 -0.10 -0.98 0.07 1.57 -0.79 0.08 116.57 117.26 1dgq h LYS 305 Ca 0.14 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1dgq h LYS 305 Cb 0.61 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.87 1dgq h LYS 305 CO 0.04 -0.07 0.63 0.82 -0.57 0.00 0.00 179.45 180.31 1dgq h ILE 306 N -0.10 1.06 -0.94 1.86 2.04 -0.36 0.48 117.51 121.54 1dgq h ILE 306 Ca 0.10 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.62 1dgq h ILE 306 Cb 0.25 -0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.12 1dgq h ILE 306 CO -0.23 0.20 0.61 0.22 0.00 0.00 0.00 178.15 178.95 1dgq h TYR 307 N 1.12 1.14 -0.53 1.37 3.20 0.29 0.15 116.97 123.71 1dgq h TYR 307 Ca 0.43 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.34 1dgq h TYR 307 Cb 0.23 -0.38 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1dgq h TYR 307 CO -0.00 0.64 0.35 0.28 -1.64 0.00 0.00 178.16 177.78 1dgq h VAL 308 N 1.16 1.12 -0.19 1.81 2.07 0.95 0.22 116.25 123.40 1dgq h VAL 308 Ca 0.38 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.69 1dgq h VAL 308 Cb 0.04 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1dgq h VAL 308 CO -0.13 0.13 0.02 0.40 0.02 0.00 0.00 177.57 178.00 1dgq h ILE 309 N 0.71 0.89 -0.95 4.57 1.08 -0.39 -1.80 117.51 121.61 1dgq h ILE 309 Ca 0.20 -0.03 0.12 0.00 -0.39 0.00 0.00 64.86 64.75 1dgq h ILE 309 Cb -0.07 0.80 -0.08 0.00 -3.07 0.00 0.00 36.82 34.40 1dgq h ILE 309 CO -0.05 0.02 0.61 -0.08 -0.69 0.00 0.00 178.15 177.95 1dgq h GLU 310 N 0.09 0.89 0.00 2.37 4.81 -0.39 0.15 114.58 122.49 1dgq h GLU 310 Ca 0.09 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1dgq h GLU 310 Cb 0.10 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1dgq h GLU 310 CO -0.13 0.59 0.00 0.41 -0.73 0.00 0.00 179.01 179.14