#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgq s ALA 125 N 0.00 -1.43 -0.59 -5.12 0.00 -1.26 -5.10 121.76 108.27 1dgq s ALA 125 Ca 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 1dgq s ALA 125 Cb 0.00 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 1dgq s ALA 125 CO 0.00 -1.01 2.06 0.45 0.00 0.00 0.00 175.76 177.26 1dgq s SER 126 N -2.90 4.95 -1.16 0.00 0.15 -1.26 -4.85 113.70 108.63 1dgq s SER 126 Ca 0.10 0.53 -0.11 0.00 0.70 0.00 0.00 55.95 57.18 1dgq s SER 126 Cb -0.04 -2.52 -0.07 0.00 -1.71 0.00 0.00 66.02 61.68 1dgq s SER 126 CO 0.03 -2.60 2.33 0.29 1.20 0.00 0.00 173.24 174.49 1dgq n LYS 127 N 9.11 2.54 -3.53 5.44 4.76 -1.26 -4.04 118.16 131.18 1dgq n LYS 127 Ca 0.27 -1.88 -0.26 0.00 -2.87 0.00 0.00 58.31 53.57 1dgq n LYS 127 Cb 0.53 -2.74 0.04 0.00 -1.84 0.00 0.00 35.03 31.01 1dgq n LYS 127 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dgq n GLY 128 N 3.89 -0.52 3.60 0.72 0.00 -1.26 -4.81 105.19 106.82 1dgq n GLY 128 Ca 0.56 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 46.35 1dgq n GLY 128 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dgq s ASN 129 N -3.06 6.49 -0.10 1.61 3.84 -1.26 -3.93 114.94 118.54 1dgq s ASN 129 Ca 0.52 0.47 -0.04 0.00 0.21 0.00 0.00 52.86 54.02 1dgq s ASN 129 Cb -0.25 -2.32 0.05 0.00 -0.55 0.00 0.00 41.25 38.18 1dgq s ASN 129 CO 0.64 -0.43 0.19 -0.69 -2.79 0.00 0.00 177.10 174.02 1dgq s VAL 130 N 2.53 -0.28 -0.80 -5.21 1.01 0.32 -0.70 120.40 117.27 1dgq s VAL 130 Ca 0.24 0.31 -0.20 0.00 0.00 0.00 0.00 61.98 62.34 1dgq s VAL 130 Cb -0.15 -0.34 0.11 0.00 0.00 0.00 0.00 36.38 36.00 1dgq s VAL 130 CO 0.11 0.13 1.02 -1.81 0.00 0.00 0.00 175.10 174.54 1dgq s ASP 131 N 2.20 6.44 -0.50 3.32 1.01 0.46 -0.12 116.67 129.48 1dgq s ASP 131 Ca 0.01 -1.67 -0.19 0.00 0.71 0.00 0.00 52.55 51.41 1dgq s ASP 131 Cb -0.12 -2.39 0.06 0.00 1.01 0.00 0.00 42.92 41.48 1dgq s ASP 131 CO -0.07 -1.17 0.62 -0.22 0.21 0.00 0.00 175.17 174.54 1dgq s LEU 132 N 3.04 4.95 -0.34 1.23 0.20 0.53 -1.00 118.68 127.29 1dgq s LEU 132 Ca 0.26 -0.89 -0.20 0.00 0.69 0.00 0.00 54.13 53.99 1dgq s LEU 132 Cb -0.11 -2.46 -0.00 0.00 -0.43 0.00 0.00 46.19 43.19 1dgq s LEU 132 CO -0.02 -0.89 0.61 -0.69 -0.29 0.00 0.00 176.35 175.08 1dgq s VAL 133 N 2.63 4.92 -0.67 1.68 1.01 0.25 -0.64 120.40 129.58 1dgq s VAL 133 Ca 0.15 0.60 -0.25 0.00 0.00 0.00 0.00 61.98 62.48 1dgq s VAL 133 Cb -0.19 -4.04 0.05 0.00 0.00 0.00 0.00 36.38 32.20 1dgq s VAL 133 CO 0.12 -0.26 1.10 -0.36 0.00 0.00 0.00 175.10 175.70 1dgq s PHE 134 N 2.63 2.53 -1.02 5.22 0.08 0.21 -0.42 117.98 127.21 1dgq s PHE 134 Ca 0.24 -0.23 -0.17 0.00 0.12 0.00 0.00 56.93 56.89 1dgq s PHE 134 Cb -0.15 -4.41 0.15 0.00 -0.57 0.00 0.00 43.02 38.04 1dgq s PHE 134 CO 0.14 -1.78 1.21 -1.17 -0.10 0.00 0.00 175.22 173.52 1dgq s LEU 135 N 4.77 5.19 -0.17 -0.37 2.96 0.28 -0.61 118.68 130.73 1dgq s LEU 135 Ca 0.29 -2.45 -0.07 0.00 -0.22 0.00 0.00 54.13 51.68 1dgq s LEU 135 Cb -0.12 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.14 1dgq s LEU 135 CO 0.14 -0.91 0.08 0.72 -1.32 0.00 0.00 176.35 175.06 1dgq s PHE 136 N 2.05 3.32 0.11 5.38 -0.71 0.02 -0.72 117.98 127.44 1dgq s PHE 136 Ca 0.35 0.19 -0.30 0.00 -1.04 0.00 0.00 56.93 56.13 1dgq s PHE 136 Cb -0.05 -2.04 -0.06 0.00 -1.21 0.00 0.00 43.02 39.66 1dgq s PHE 136 CO -0.06 0.29 0.99 0.34 -1.34 0.00 0.00 175.22 175.43 1dgq s ASP 137 N 0.05 7.45 -0.34 1.98 2.15 0.57 -0.75 116.67 127.78 1dgq s ASP 137 Ca 0.06 1.83 0.11 0.00 0.43 0.00 0.00 52.55 54.99 1dgq s ASP 137 Cb -0.12 -2.59 0.45 0.00 -0.30 0.00 0.00 42.92 40.37 1dgq s ASP 137 CO 0.00 -0.10 1.11 0.61 -0.17 0.00 0.00 175.17 176.62 1dgq n GLY 138 N 2.27 4.63 3.70 2.66 0.00 0.20 -4.86 105.19 113.79 1dgq n GLY 138 Ca 0.03 -2.19 -0.30 0.00 0.00 0.00 0.00 46.02 43.56 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 3.26 0.56 1.61 1.04 -1.25 -0.39 113.70 115.00 1dgq s SER 139 Ca 0.42 1.55 0.29 0.00 0.48 0.00 0.00 55.95 58.69 1dgq s SER 139 Cb 0.40 -2.22 1.46 0.00 0.10 0.00 0.00 66.02 65.76 1dgq s SER 139 CO -0.05 -2.78 1.91 0.00 0.98 0.00 0.00 173.24 173.29 1dgq h MET 140 N -1.65 0.00 -0.89 4.02 -0.00 -1.19 0.95 114.93 116.18 1dgq h MET 140 Ca -0.50 0.00 0.12 0.00 -0.00 0.00 0.00 59.70 59.33 1dgq h MET 140 Cb 1.28 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 32.82 1dgq h MET 140 CO 0.53 0.00 0.57 0.77 -0.00 0.00 0.00 176.91 178.78 1dgq h SER 141 N 0.00 0.72 -2.98 -0.10 0.02 -1.91 -3.41 113.55 105.89 1dgq h SER 141 Ca 0.30 0.03 -0.56 0.00 -0.84 0.00 0.00 61.79 60.73 1dgq h SER 141 Cb 1.37 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.77 1dgq h SER 141 CO -0.00 0.39 0.81 -0.76 -1.14 0.00 0.00 176.83 176.13 1dgq s LEU 142 N -9.87 4.23 0.34 5.07 2.01 0.33 -5.04 118.68 115.75 1dgq s LEU 142 Ca -0.10 1.78 -0.03 0.00 0.01 0.00 0.00 54.13 55.78 1dgq s LEU 142 Cb 0.22 -3.55 -0.04 0.00 0.01 0.00 0.00 46.19 42.82 1dgq s LEU 142 CO 0.79 -0.68 0.59 -1.10 1.01 0.00 0.00 176.35 176.96 1dgq s GLN 143 N 2.88 3.58 0.14 1.70 -1.52 -1.26 -4.86 119.66 120.32 1dgq s GLN 143 Ca 0.56 -0.06 -0.31 0.00 -1.95 0.00 0.00 55.36 53.60 1dgq s GLN 143 Cb -0.24 -2.61 -0.08 0.00 -0.22 0.00 0.00 33.01 29.87 1dgq s GLN 143 CO 0.19 0.13 1.55 -1.35 -0.25 0.00 0.00 175.29 175.55 1dgq h PRO 144 N 1.18 -0.24 -0.76 2.91 0.11 -1.97 -0.10 132.00 133.12 1dgq h PRO 144 Ca -0.48 0.02 0.10 0.00 0.11 0.00 0.00 66.00 65.74 1dgq h PRO 144 Cb 1.20 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.29 1dgq h PRO 144 CO 0.64 -0.16 0.40 0.22 -0.21 0.00 0.00 178.00 178.89 1dgq h ASP 145 N -0.25 0.54 -0.16 -2.05 3.58 -1.98 0.13 116.42 116.22 1dgq h ASP 145 Ca 0.11 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.61 1dgq h ASP 145 Cb 0.54 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1dgq h ASP 145 CO -0.72 0.31 0.07 -0.33 -2.88 0.00 0.00 179.24 175.69 1dgq h GLU 146 N 0.67 0.23 -0.21 0.28 5.08 -1.51 -0.18 114.58 118.95 1dgq h GLU 146 Ca 0.37 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1dgq h GLU 146 Cb 0.38 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1dgq h GLU 146 CO -0.26 0.29 0.13 0.35 -1.00 0.00 0.00 179.01 178.51 1dgq h PHE 147 N 0.13 0.24 -0.92 4.33 3.57 -0.39 -0.16 116.94 123.73 1dgq h PHE 147 Ca 0.06 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.70 1dgq h PHE 147 Cb 0.13 -0.08 -0.07 0.00 2.79 0.00 0.00 35.95 38.72 1dgq h PHE 147 CO -0.02 0.15 0.59 1.96 -2.23 0.00 0.00 178.31 178.75 1dgq h GLN 148 N 0.26 0.74 -0.47 1.11 1.08 -0.47 0.12 115.11 117.49 1dgq h GLN 148 Ca 0.08 -0.04 -0.12 0.00 -1.45 0.00 0.00 58.65 57.11 1dgq h GLN 148 Cb -0.01 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.23 1dgq h GLN 148 CO -0.03 0.49 -0.19 0.87 -0.95 0.00 0.00 178.83 179.02 1dgq h LYS 149 N 0.77 0.95 -0.42 1.46 1.57 0.10 0.22 116.57 121.21 1dgq h LYS 149 Ca 0.46 -0.38 0.06 0.00 -1.87 0.00 0.00 60.65 58.92 1dgq h LYS 149 Cb 0.67 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.88 1dgq h LYS 149 CO -0.22 1.05 0.10 0.82 -0.57 0.00 0.00 179.45 180.63 1dgq h ILE 150 N 0.82 0.80 -0.17 1.86 1.08 0.70 0.47 117.51 123.08 1dgq h ILE 150 Ca 0.11 -0.08 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 1dgq h ILE 150 Cb 0.75 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.01 1dgq h ILE 150 CO 0.06 0.04 0.00 -0.07 -0.69 0.00 0.00 178.15 177.50 1dgq h LEU 151 N 0.24 -0.06 -0.67 1.44 3.38 -0.54 -2.77 115.31 116.33 1dgq h LEU 151 Ca 0.20 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.31 1dgq h LEU 151 Cb 0.24 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1dgq h LEU 151 CO -0.25 -0.01 0.30 -0.78 0.09 0.00 0.00 178.44 177.79 1dgq h ASP 152 N 0.06 0.35 0.19 -0.43 3.58 0.08 0.74 116.42 120.99 1dgq h ASP 152 Ca 0.08 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.61 1dgq h ASP 152 Cb 0.09 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 1dgq h ASP 152 CO -0.13 0.20 -0.34 0.15 -2.88 0.00 0.00 179.24 176.24 1dgq h PHE 153 N 0.51 -0.93 0.26 0.28 3.04 -0.71 0.25 116.94 119.64 1dgq h PHE 153 Ca 0.34 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.31 1dgq h PHE 153 Cb 0.40 0.38 -0.02 0.00 2.56 0.00 0.00 35.95 39.28 1dgq h PHE 153 CO -0.14 -0.46 -0.24 0.52 -2.02 0.00 0.00 178.31 175.98 1dgq h MET 154 N -0.61 -0.50 -0.77 1.11 2.86 -1.11 -1.78 114.93 114.12 1dgq h MET 154 Ca 0.01 0.03 0.18 0.00 -2.06 0.00 0.00 59.70 57.86 1dgq h MET 154 Cb 0.61 0.11 -0.14 0.00 0.06 0.00 0.00 31.60 32.25 1dgq h MET 154 CO -0.16 -0.33 -0.01 -0.22 1.06 0.00 0.00 176.91 177.25 1dgq h LYS 155 N -0.52 0.09 0.14 1.72 3.64 -0.76 -0.02 116.57 120.86 1dgq h LYS 155 Ca -0.01 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1dgq h LYS 155 Cb 0.47 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1dgq h LYS 155 CO -0.04 0.06 -0.07 0.22 -2.27 0.00 0.00 179.45 177.35 1dgq h ASP 156 N 0.09 -0.16 -0.21 4.20 1.82 0.24 0.16 116.42 122.55 1dgq h ASP 156 Ca 0.42 -0.02 0.05 0.00 -0.39 0.00 0.00 57.03 57.09 1dgq h ASP 156 Cb 0.74 0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.74 1dgq h ASP 156 CO -0.69 -0.09 -0.10 0.58 -1.61 0.00 0.00 179.24 177.32 1dgq h VAL 157 N -0.22 0.67 -0.77 2.25 2.07 -0.65 -1.58 116.25 118.03 1dgq h VAL 157 Ca -0.02 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1dgq h VAL 157 Cb 0.17 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 1dgq h VAL 157 CO 0.03 0.00 0.48 0.24 0.02 0.00 0.00 177.57 178.35 1dgq h MET 158 N -0.08 0.90 0.38 1.57 2.86 -0.58 0.77 114.93 120.74 1dgq h MET 158 Ca 0.11 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 1dgq h MET 158 Cb 0.25 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1dgq h MET 158 CO -0.26 0.60 -0.24 0.87 1.06 0.00 0.00 176.91 178.93 1dgq h LYS 159 N 0.93 -0.58 -0.41 1.72 1.79 -0.31 0.01 116.57 119.72 1dgq h LYS 159 Ca 0.32 0.04 0.08 0.00 -2.18 0.00 0.00 60.65 58.90 1dgq h LYS 159 Cb 0.06 0.13 -0.07 0.00 -1.58 0.00 0.00 32.23 30.77 1dgq h LYS 159 CO -0.13 -0.39 -0.02 0.87 -1.08 0.00 0.00 179.45 178.71 1dgq h LYS 160 N -0.60 0.08 -1.29 3.15 6.56 -0.76 -2.80 116.57 120.91 1dgq h LYS 160 Ca -0.04 -0.01 -0.68 0.00 -1.06 0.00 0.00 60.65 58.87 1dgq h LYS 160 Cb 0.50 -0.02 -0.32 0.00 -0.57 0.00 0.00 32.23 31.82 1dgq h LYS 160 CO 0.03 0.06 0.50 1.28 -2.06 0.00 0.00 179.45 179.26 1dgq n LEU 161 N -5.22 6.92 -3.84 2.94 4.77 0.22 -4.89 117.00 117.90 1dgq n LEU 161 Ca 0.03 -4.61 -0.39 0.00 -0.03 0.00 0.00 56.01 51.00 1dgq n LEU 161 Cb 0.22 -0.85 -0.07 0.00 -2.33 0.00 0.00 43.42 40.38 1dgq n LEU 161 CO 0.18 1.73 1.85 -1.20 -1.33 0.00 0.00 177.39 178.62 1dgq n SER 162 N -0.74 2.35 -3.80 -1.43 7.64 -0.03 -4.75 113.62 112.87 1dgq n SER 162 Ca 0.55 -2.65 -0.13 0.00 1.01 0.00 0.00 58.87 57.66 1dgq n SER 162 Cb 0.59 -1.17 -0.09 0.00 -1.01 0.00 0.00 64.21 62.52 1dgq n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1dgq s ASN 163 N 5.75 -0.13 0.13 6.43 3.84 -1.26 -5.08 114.94 124.61 1dgq s ASN 163 Ca 0.62 0.05 -0.27 0.00 0.21 0.00 0.00 52.86 53.47 1dgq s ASN 163 Cb 0.11 0.31 -0.04 0.00 -0.55 0.00 0.00 41.25 41.07 1dgq s ASN 163 CO 0.16 -0.38 1.62 0.74 -2.79 0.00 0.00 177.10 176.45 1dgq h THR 164 N 4.10 0.32 -0.87 -5.21 2.02 -1.96 -3.03 112.91 108.28 1dgq h THR 164 Ca -0.30 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.10 1dgq h THR 164 Cb 1.18 0.32 -0.13 0.00 -1.74 0.00 0.00 68.15 67.79 1dgq h THR 164 CO 0.39 0.00 0.33 0.28 0.37 0.00 0.00 175.52 176.89 1dgq h SER 165 N -0.44 0.21 -1.12 4.18 0.02 -1.87 -2.77 113.55 111.76 1dgq h SER 165 Ca 0.07 0.16 -0.63 0.00 -0.84 0.00 0.00 61.79 60.55 1dgq h SER 165 Cb 0.54 0.17 -0.10 0.00 0.14 0.00 0.00 62.40 63.15 1dgq h SER 165 CO -0.28 -0.04 1.67 -0.31 -1.14 0.00 0.00 176.83 176.73 1dgq s TYR 166 N -5.92 2.65 -0.61 3.45 1.51 -1.14 -0.52 117.35 116.76 1dgq s TYR 166 Ca -0.12 -1.12 -0.28 0.00 -1.01 0.00 0.00 57.07 54.54 1dgq s TYR 166 Cb 0.25 -4.69 0.02 0.00 -0.11 0.00 0.00 41.96 37.43 1dgq s TYR 166 CO 0.77 -1.87 1.28 -0.65 -1.11 0.00 0.00 175.55 173.98 1dgq s GLN 167 N 4.58 3.37 0.44 -0.62 1.11 0.83 -4.71 119.66 124.67 1dgq s GLN 167 Ca 0.48 0.20 -0.10 0.00 0.01 0.00 0.00 55.36 55.94 1dgq s GLN 167 Cb 0.01 -4.09 -0.06 0.00 -1.01 0.00 0.00 33.01 27.86 1dgq s GLN 167 CO -0.05 -1.87 0.82 -0.06 0.01 0.00 0.00 175.29 174.14 1dgq s PHE 168 N 5.49 3.49 0.06 0.91 0.08 -1.26 -0.35 117.98 126.41 1dgq s PHE 168 Ca 0.44 1.08 -0.05 0.00 0.12 0.00 0.00 56.93 58.51 1dgq s PHE 168 Cb -0.09 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 39.87 1dgq s PHE 168 CO 0.23 -0.20 0.10 0.00 -0.10 0.00 0.00 175.22 175.24 1dgq s ALA 169 N -2.51 0.03 -0.04 5.36 0.00 0.19 -3.59 121.76 121.19 1dgq s ALA 169 Ca 0.52 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.72 1dgq s ALA 169 Cb -0.10 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.38 1dgq s ALA 169 CO 0.35 -0.40 0.08 0.00 0.00 0.00 0.00 175.76 175.79 1dgq s ALA 170 N -3.39 -0.11 -0.22 0.00 0.00 0.10 -0.62 121.76 117.52 1dgq s ALA 170 Ca 0.02 0.40 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1dgq s ALA 170 Cb 0.03 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.92 1dgq s ALA 170 CO -0.08 -0.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.52 1dgq s VAL 171 N 0.79 2.00 0.37 0.00 1.01 0.22 -0.23 120.40 124.56 1dgq s VAL 171 Ca -0.06 -1.24 -0.25 0.00 0.00 0.00 0.00 61.98 60.43 1dgq s VAL 171 Cb -0.09 -1.99 -0.09 0.00 0.00 0.00 0.00 36.38 34.21 1dgq s VAL 171 CO -0.03 0.22 1.07 -1.58 0.00 0.00 0.00 175.10 174.78 1dgq s GLN 172 N 1.24 4.28 0.04 2.72 0.74 0.30 -0.80 119.66 128.19 1dgq s GLN 172 Ca -0.02 1.60 -0.01 0.00 0.05 0.00 0.00 55.36 56.98 1dgq s GLN 172 Cb -0.17 -2.72 -0.03 0.00 1.10 0.00 0.00 33.01 31.19 1dgq s GLN 172 CO -0.09 -0.05 -0.02 -0.59 -0.55 0.00 0.00 175.29 173.98 1dgq s PHE 173 N -1.51 0.45 0.00 1.67 -0.71 0.07 -0.16 117.98 117.78 1dgq s PHE 173 Ca 0.54 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 55.51 1dgq s PHE 173 Cb -0.25 -0.33 0.00 0.00 -1.21 0.00 0.00 43.02 41.23 1dgq s PHE 173 CO 0.31 -0.34 0.00 0.43 -1.34 0.00 0.00 175.22 174.29 1dgq n SER 174 N 0.48 0.42 -0.31 1.98 7.64 -1.26 -0.63 113.62 121.95 1dgq n SER 174 Ca -0.17 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.84 1dgq n SER 174 Cb 0.60 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 64.09 1dgq n SER 174 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1dgq h THR 175 N 0.00 0.58 -2.32 0.44 2.02 -1.83 0.16 112.91 111.96 1dgq h THR 175 Ca 0.00 -0.18 -0.56 0.00 0.77 0.00 0.00 66.41 66.44 1dgq h THR 175 Cb 0.00 0.01 -0.10 0.00 -1.74 0.00 0.00 68.15 66.32 1dgq h THR 175 CO 0.00 0.10 -0.64 -0.44 0.37 0.00 0.00 175.52 174.90 1dgq s SER 176 N -5.28 4.61 0.24 4.18 0.01 -1.26 -4.47 113.70 111.73 1dgq s SER 176 Ca -0.12 -0.59 -0.02 0.00 1.31 0.00 0.00 55.95 56.53 1dgq s SER 176 Cb 0.24 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 1dgq s SER 176 CO 0.78 0.01 0.46 -0.72 0.41 0.00 0.00 173.24 174.19 1dgq s TYR 177 N -2.21 3.48 -0.27 2.43 -0.85 -1.26 -4.42 117.35 114.25 1dgq s TYR 177 Ca 0.31 0.47 -0.01 0.00 -0.52 0.00 0.00 57.07 57.32 1dgq s TYR 177 Cb -0.07 -1.96 0.14 0.00 0.38 0.00 0.00 41.96 40.45 1dgq s TYR 177 CO 0.20 0.29 0.33 0.21 -1.52 0.00 0.00 175.55 175.05 1dgq s LYS 178 N -3.44 0.33 -0.25 -3.49 2.20 0.77 -4.97 119.74 110.88 1dgq s LYS 178 Ca 0.41 0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.79 1dgq s LYS 178 Cb -0.11 -0.61 -0.07 0.00 -1.51 0.00 0.00 37.83 35.53 1dgq s LYS 178 CO 0.29 -0.92 2.22 2.41 -0.36 0.00 0.00 175.35 178.99 1dgq n THR 179 N 5.33 0.30 -0.01 3.43 -1.04 -1.26 -0.54 114.28 120.49 1dgq n THR 179 Ca -0.02 -0.41 -0.16 0.00 -2.04 0.00 0.00 64.05 61.41 1dgq n THR 179 Cb 0.48 -2.32 -0.11 0.00 -1.82 0.00 0.00 70.33 66.56 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 14.40 0.32 -2.30 -2.82 4.39 -0.96 -3.48 114.58 124.13 1dgq h GLU 180 Ca -0.37 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 58.96 1dgq h GLU 180 Cb 1.26 0.09 -0.17 0.00 -0.10 0.00 0.00 28.75 29.83 1dgq h GLU 180 CO 0.98 1.02 0.21 -0.59 -1.16 0.00 0.00 179.01 179.46 1dgq s PHE 181 N -3.21 -0.61 0.48 4.33 -0.12 -0.92 -4.86 117.98 113.07 1dgq s PHE 181 Ca -0.14 0.86 0.05 0.00 -0.05 0.00 0.00 56.93 57.65 1dgq s PHE 181 Cb 0.03 0.46 0.05 0.00 -0.63 0.00 0.00 43.02 42.92 1dgq s PHE 181 CO 0.79 -0.68 0.39 -0.40 -0.05 0.00 0.00 175.22 175.27 1dgq n ASP 182 N 0.49 2.46 0.10 1.98 5.68 -1.26 -0.72 116.55 125.28 1dgq n ASP 182 Ca -0.18 -2.61 -0.12 0.00 -0.50 0.00 0.00 54.79 51.37 1dgq n ASP 182 Cb 0.60 -0.07 -0.06 0.00 -1.14 0.00 0.00 41.12 40.45 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 0.59 -0.42 -0.63 2.11 0.04 -1.54 -0.66 116.94 116.43 1dgq h PHE 183 Ca -0.30 0.01 0.09 0.00 2.80 0.00 0.00 57.97 60.58 1dgq h PHE 183 Cb 1.10 0.18 -0.07 0.00 2.20 0.00 0.00 35.95 39.36 1dgq h PHE 183 CO 0.00 -0.24 0.26 0.77 -0.60 0.00 0.00 178.31 178.49 1dgq h SER 184 N -0.32 0.28 0.14 2.17 0.02 -1.25 0.16 113.55 114.75 1dgq h SER 184 Ca 0.02 0.07 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1dgq h SER 184 Cb 0.34 0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1dgq h SER 184 CO -0.09 0.16 -0.26 0.44 -1.14 0.00 0.00 176.83 175.93 1dgq h ASP 185 N 0.45 -0.74 -0.23 3.07 3.32 -1.72 0.19 116.42 120.75 1dgq h ASP 185 Ca 0.32 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.50 1dgq h ASP 185 Cb 0.38 0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.16 1dgq h ASP 185 CO -0.30 -0.36 -0.07 0.22 -1.72 0.00 0.00 179.24 177.02 1dgq h TYR 186 N -0.49 -0.14 -0.91 4.55 3.20 -0.43 0.45 116.97 123.20 1dgq h TYR 186 Ca 0.02 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.97 1dgq h TYR 186 Cb 0.50 0.10 -0.06 0.00 1.54 0.00 0.00 36.73 38.82 1dgq h TYR 186 CO -0.23 -0.11 0.59 0.28 -1.64 0.00 0.00 178.16 177.05 1dgq h VAL 187 N -0.01 1.10 0.43 1.81 2.07 -0.37 0.37 116.25 121.65 1dgq h VAL 187 Ca 0.11 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 1dgq h VAL 187 Cb 0.18 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1dgq h VAL 187 CO -0.25 0.20 -0.21 0.50 0.02 0.00 0.00 177.57 177.83 1dgq h LYS 188 N 1.07 -0.56 0.17 1.57 3.64 0.01 -3.40 116.57 119.08 1dgq h LYS 188 Ca 0.38 0.04 -0.35 0.00 -1.27 0.00 0.00 60.65 59.44 1dgq h LYS 188 Cb 0.12 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1dgq h LYS 188 CO -0.13 -0.28 -1.79 -1.49 -2.27 0.00 0.00 179.45 173.49 1dgq h TRP 189 N -1.06 0.67 -6.40 1.91 4.06 -0.79 -3.48 115.95 110.87 1dgq h TRP 189 Ca -0.06 -0.49 -0.50 0.00 2.06 0.00 0.00 58.89 59.90 1dgq h TRP 189 Cb 0.53 -0.03 -0.16 0.00 -1.00 0.00 0.00 29.16 28.51 1dgq h TRP 189 CO 0.02 1.70 -0.75 1.63 -3.56 0.00 0.00 178.44 177.47 1dgq n LYS 190 N -3.59 -3.54 -3.62 0.49 5.02 0.13 -4.96 118.16 108.08 1dgq n LYS 190 Ca -0.26 0.42 -0.23 0.00 -2.02 0.00 0.00 58.31 56.21 1dgq n LYS 190 Cb 1.06 -5.17 -0.17 0.00 -0.02 0.00 0.00 35.03 30.73 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 -3.14 1.88 0.19 4.39 -1.08 -1.26 -5.03 116.67 112.60 1dgq s ASP 191 Ca 0.66 -0.35 -0.16 0.00 -0.52 0.00 0.00 52.55 52.18 1dgq s ASP 191 Cb -0.35 -0.16 0.15 0.00 -1.46 0.00 0.00 42.92 41.10 1dgq s ASP 191 CO 0.81 -0.31 1.64 -0.65 0.52 0.00 0.00 175.17 177.17 1dgq h PRO 192 N 8.42 -0.05 -0.35 4.34 0.11 -1.92 -2.11 132.00 140.44 1dgq h PRO 192 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 1dgq h PRO 192 Cb 1.14 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1dgq h PRO 192 CO 0.24 -0.03 0.23 -0.44 -0.21 0.00 0.00 178.00 177.79 1dgq h ASP 193 N -0.05 0.41 -0.90 -2.05 5.19 -1.97 0.26 116.42 117.31 1dgq h ASP 193 Ca 0.24 -0.02 0.03 0.00 -0.62 0.00 0.00 57.03 56.66 1dgq h ASP 193 Cb 0.42 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.78 1dgq h ASP 193 CO -0.54 0.30 0.59 0.00 -3.12 0.00 0.00 179.24 176.47 1dgq h ALA 194 N 1.12 1.42 -0.05 3.45 0.00 -1.87 0.31 119.26 123.63 1dgq h ALA 194 Ca 0.13 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 1dgq h ALA 194 Cb -0.04 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.43 1dgq h ALA 194 CO -0.03 0.50 -0.53 -0.07 0.00 0.00 0.00 179.25 179.13 1dgq h LEU 195 N 1.14 0.55 0.00 0.00 3.38 -0.79 -3.35 115.31 116.24 1dgq h LEU 195 Ca 0.35 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1dgq h LEU 195 Cb -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1dgq h LEU 195 CO -0.10 1.17 -0.09 0.18 0.09 0.00 0.00 178.44 179.68 1dgq n LEU 196 N -4.25 0.54 -0.12 1.67 4.77 0.87 -3.73 117.00 116.74 1dgq n LEU 196 Ca -0.09 0.48 0.27 0.00 -0.03 0.00 0.00 56.01 56.64 1dgq n LEU 196 Cb 0.62 -0.36 0.72 0.00 -2.33 0.00 0.00 43.42 42.08 1dgq n LEU 196 CO 0.46 -0.10 1.25 0.07 -1.33 0.00 0.00 177.39 177.74 1dgq h LYS 197 N 0.00 0.00 0.00 3.23 2.10 -1.09 0.05 116.57 120.86 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 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 1dgq h LYS 197 CO 0.00 0.00 0.00 1.25 -2.00 0.00 0.00 179.45 178.70 1dgq h HIS 198 N 0.00 0.00 -0.68 0.07 2.76 -1.84 -3.43 115.15 112.03 1dgq h HIS 198 Ca 0.38 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 58.28 1dgq h HIS 198 Cb 1.65 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 30.56 1dgq h HIS 198 CO 0.00 0.00 0.69 0.08 -1.30 0.00 0.00 177.93 177.40 1dgq s VAL 199 N -3.54 3.42 -0.47 5.26 1.01 0.00 -4.91 120.40 121.17 1dgq s VAL 199 Ca 0.01 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 1dgq s VAL 199 Cb 0.09 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.54 1dgq s VAL 199 CO 0.35 -0.88 0.73 -0.54 0.00 0.00 0.00 175.10 174.76 1dgq s LYS 200 N 7.12 3.30 -0.06 2.72 1.02 -1.26 -5.02 119.74 127.57 1dgq s LYS 200 Ca 0.72 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 56.06 1dgq s LYS 200 Cb -0.07 -3.99 -0.07 0.00 -0.52 0.00 0.00 37.83 33.18 1dgq s LYS 200 CO 0.00 -1.16 1.96 -1.58 -0.92 0.00 0.00 175.35 173.66 1dgq s HIS 201 N 3.13 1.40 -0.02 3.18 2.46 -1.26 -4.91 115.29 119.27 1dgq s HIS 201 Ca 0.25 -0.07 -0.23 0.00 0.47 0.00 0.00 55.06 55.47 1dgq s HIS 201 Cb -0.14 -4.12 -0.20 0.00 -0.13 0.00 0.00 32.58 27.99 1dgq s HIS 201 CO 0.19 -4.82 1.15 0.52 -2.47 0.00 0.00 174.74 169.32 1dgq h MET 202 N 11.52 0.21 -5.28 2.88 2.86 -1.95 -3.49 114.93 121.68 1dgq h MET 202 Ca -0.45 -0.17 -0.28 0.00 -2.06 0.00 0.00 59.70 56.74 1dgq h MET 202 Cb 1.22 0.03 0.16 0.00 0.06 0.00 0.00 31.60 33.08 1dgq h MET 202 CO 0.95 0.81 -0.72 1.28 1.06 0.00 0.00 176.91 180.30 1dgq n LEU 203 N -4.56 -4.24 0.00 1.22 4.77 0.47 -4.91 117.00 109.76 1dgq n LEU 203 Ca -0.09 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 1dgq n LEU 203 Cb 0.43 -2.91 0.00 0.00 -2.33 0.00 0.00 43.42 38.62 1dgq n LEU 203 CO 0.39 0.28 0.00 0.18 -1.33 0.00 0.00 177.39 176.90 1dgq n LEU 204 N -3.63 0.00 0.00 2.23 4.77 -1.25 -3.91 117.00 115.21 1dgq n LEU 204 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 1dgq n LEU 204 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1dgq n LEU 204 CO 0.55 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.79 1dgq n LEU 205 N 0.00 0.00 -3.03 2.23 4.77 -1.26 -1.00 117.00 118.71 1dgq n LEU 205 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 1dgq n LEU 205 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 1dgq n LEU 205 CO 0.00 0.00 -0.07 0.41 -1.33 0.00 0.00 177.39 176.40 1dgq n THR 206 N 0.00 -0.51 -2.02 -5.08 -1.04 -1.25 -3.30 114.28 101.08 1dgq n THR 206 Ca 0.00 -2.24 -0.41 0.00 -2.04 0.00 0.00 64.05 59.36 1dgq n THR 206 Cb 0.00 -0.19 -0.00 0.00 -1.82 0.00 0.00 70.33 68.32 1dgq n THR 206 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1dgq n ASN 207 N 2.57 6.95 -0.25 8.00 5.15 0.57 -0.22 115.26 138.04 1dgq n ASN 207 Ca 0.21 -3.05 -0.05 0.00 -0.60 0.00 0.00 54.58 51.09 1dgq n ASN 207 Cb 0.54 -1.44 0.06 0.00 -0.53 0.00 0.00 39.78 38.41 1dgq n ASN 207 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1dgq h THR 208 N 3.09 1.16 0.06 -0.44 2.02 -1.91 0.04 112.91 116.94 1dgq h THR 208 Ca 0.61 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 67.48 1dgq h THR 208 Cb 0.42 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1dgq h THR 208 CO 1.58 0.17 -0.03 -0.26 0.37 0.00 0.00 175.52 177.35 1dgq h PHE 209 N 0.92 -0.08 -0.99 3.16 -1.00 -1.86 0.25 116.94 117.33 1dgq h PHE 209 Ca 0.26 -0.00 0.04 0.00 2.81 0.00 0.00 57.97 61.07 1dgq h PHE 209 Cb -0.09 0.03 -0.06 0.00 3.61 0.00 0.00 35.95 39.44 1dgq h PHE 209 CO -0.03 0.26 0.65 0.78 -1.61 0.00 0.00 178.31 178.37 1dgq h GLY 210 N -0.43 1.45 1.06 -1.45 0.00 -1.79 0.14 103.07 102.05 1dgq h GLY 210 Ca -0.01 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 1dgq h GLY 210 CO 0.01 0.43 0.07 0.00 0.00 0.00 0.00 176.54 177.05 1dgq h ALA 211 N 1.40 0.83 -0.05 3.60 0.00 -0.68 1.00 119.26 125.36 1dgq h ALA 211 Ca 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1dgq h ALA 211 Cb -0.01 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1dgq h ALA 211 CO -0.12 0.61 0.03 0.82 0.00 0.00 0.00 179.25 180.59 1dgq h ILE 212 N 0.95 1.03 -0.27 0.00 2.04 0.17 0.66 117.51 122.09 1dgq h ILE 212 Ca 0.18 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 66.01 1dgq h ILE 212 Cb 0.47 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 1dgq h ILE 212 CO 0.02 0.02 0.09 0.78 0.00 0.00 0.00 178.15 179.06 1dgq h ASN 213 N 0.06 0.08 -0.11 1.72 2.35 -0.73 0.96 115.58 119.91 1dgq h ASN 213 Ca 0.02 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1dgq h ASN 213 Cb 0.01 0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.35 1dgq h ASN 213 CO -0.00 0.08 -0.30 0.22 -1.65 0.00 0.00 177.43 175.78 1dgq h TYR 214 N 0.20 -0.82 -0.11 1.19 3.20 -0.57 -1.37 116.97 118.69 1dgq h TYR 214 Ca 0.12 0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.07 1dgq h TYR 214 Cb 0.10 0.38 -0.05 0.00 1.54 0.00 0.00 36.73 38.69 1dgq h TYR 214 CO -0.14 -0.38 -0.22 0.28 -1.64 0.00 0.00 178.16 176.06 1dgq h VAL 215 N -0.39 0.46 -0.59 1.81 2.07 -0.56 0.27 116.25 119.32 1dgq h VAL 215 Ca 0.09 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.73 1dgq h VAL 215 Cb 0.53 0.46 -0.10 0.00 -1.52 0.00 0.00 31.29 30.66 1dgq h VAL 215 CO -0.32 0.00 0.02 0.00 0.02 0.00 0.00 177.57 177.28 1dgq h ALA 216 N 0.66 0.59 0.04 1.67 0.00 -0.27 -0.14 119.26 121.81 1dgq h ALA 216 Ca 0.09 0.17 -0.36 0.00 0.00 0.00 0.00 54.91 54.81 1dgq h ALA 216 Cb 0.43 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1dgq h ALA 216 CO -0.28 -0.38 -2.06 0.25 0.00 0.00 0.00 179.25 176.78 1dgq n THR 217 N -5.25 1.60 -0.09 0.00 -2.24 -0.57 -4.29 114.28 103.44 1dgq n THR 217 Ca 0.08 -0.42 -0.23 0.00 -2.27 0.00 0.00 64.05 61.21 1dgq n THR 217 Cb 0.33 -1.77 -0.12 0.00 -2.10 0.00 0.00 70.33 66.68 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 -3.83 0.64 -0.03 -0.78 -0.58 0.93 -4.61 120.64 112.38 1dgq n GLU 218 Ca -0.41 0.33 -0.17 0.00 -0.42 0.00 0.00 57.16 56.49 1dgq n GLU 218 Cb 0.91 -1.63 -0.14 0.00 -0.57 0.00 0.00 31.44 30.02 1dgq n GLU 218 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1dgq h VAL 219 N -0.49 1.60 -0.09 2.62 2.07 -1.25 -3.37 116.25 117.33 1dgq h VAL 219 Ca -0.50 -2.41 -0.62 0.00 0.82 0.00 0.00 66.70 63.99 1dgq h VAL 219 Cb 1.71 3.22 0.02 0.00 -1.52 0.00 0.00 31.29 34.72 1dgq h VAL 219 CO -0.15 0.63 2.24 0.49 0.02 0.00 0.00 177.57 180.80 1dgq n PHE 220 N -4.39 2.28 -4.34 1.57 3.72 -0.12 -4.74 117.46 111.43 1dgq n PHE 220 Ca -0.14 -1.94 -0.18 0.00 -0.05 0.00 0.00 57.45 55.14 1dgq n PHE 220 Cb 0.64 -1.96 -0.15 0.00 -0.94 0.00 0.00 39.48 37.07 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 4.94 0.70 0.26 -1.08 0.52 -1.26 -4.82 118.95 118.21 1dgq s ARG 221 Ca 0.57 -0.32 -0.01 0.00 -0.52 0.00 0.00 55.73 55.45 1dgq s ARG 221 Cb 0.12 -0.67 0.52 0.00 0.52 0.00 0.00 34.95 35.44 1dgq s ARG 221 CO 0.09 0.18 1.76 0.93 0.02 0.00 0.00 175.30 178.28 1dgq h GLU 222 N 5.90 0.57 -0.80 3.54 3.07 -1.89 0.43 114.58 125.41 1dgq h GLU 222 Ca -0.30 -0.03 0.14 0.00 -0.50 0.00 0.00 59.36 58.66 1dgq h GLU 222 Cb 1.18 -0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 28.91 1dgq h GLU 222 CO 0.49 0.38 0.53 1.05 -1.40 0.00 0.00 179.01 180.06 1dgq h GLU 223 N 0.59 0.52 -0.41 2.33 4.11 -1.96 0.20 114.58 119.96 1dgq h GLU 223 Ca 0.46 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.85 1dgq h GLU 223 Cb 0.66 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1dgq h GLU 223 CO -0.37 0.34 0.00 1.28 0.07 0.00 0.00 179.01 180.33 1dgq n LEU 224 N -4.51 2.47 0.00 3.06 4.77 -0.04 -4.91 117.00 117.85 1dgq n LEU 224 Ca 0.15 -1.19 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 1dgq n LEU 224 Cb 0.49 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1dgq n LEU 224 CO 0.32 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1dgq n GLY 225 N 1.26 0.88 3.56 -0.72 0.00 0.71 -0.84 105.19 110.03 1dgq n GLY 225 Ca 0.16 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 2.38 0.09 4.61 0.00 -0.15 -4.63 121.76 122.06 1dgq s ALA 226 Ca 0.00 -1.89 -0.31 0.00 0.00 0.00 0.00 51.96 49.76 1dgq s ALA 226 Cb 0.00 -4.50 -0.08 0.00 0.00 0.00 0.00 23.12 18.54 1dgq s ALA 226 CO 0.00 -3.96 1.49 1.03 0.00 0.00 0.00 175.76 174.32 1dgq s ARG 227 N 5.74 4.26 0.41 0.00 0.52 -1.26 -3.60 118.95 125.03 1dgq s ARG 227 Ca 0.53 2.17 0.10 0.00 -0.52 0.00 0.00 55.73 58.01 1dgq s ARG 227 Cb -0.03 -3.38 0.88 0.00 0.52 0.00 0.00 34.95 32.94 1dgq s ARG 227 CO -0.04 -0.57 1.99 -1.00 0.02 0.00 0.00 175.30 175.70 1dgq h PRO 228 N 7.37 0.27 0.00 3.54 0.13 -1.99 -0.33 132.00 140.98 1dgq h PRO 228 Ca -0.41 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1dgq h PRO 228 Cb 1.20 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1dgq h PRO 228 CO 0.90 0.31 -0.00 0.22 -0.23 0.00 0.00 178.00 179.19 1dgq h ASP 229 N 0.26 0.00 -3.79 1.44 3.58 -1.97 -3.44 116.42 112.50 1dgq h ASP 229 Ca 0.06 0.00 -0.49 0.00 0.42 0.00 0.00 57.03 57.02 1dgq h ASP 229 Cb 0.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1dgq h ASP 229 CO 0.01 0.00 0.38 0.00 -2.88 0.00 0.00 179.24 176.75 1dgq s ALA 230 N -3.89 3.33 0.10 -0.78 0.00 -0.14 -4.29 121.76 116.10 1dgq s ALA 230 Ca -0.02 0.68 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 1dgq s ALA 230 Cb 0.11 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.89 1dgq s ALA 230 CO 0.49 0.09 1.89 0.99 0.00 0.00 0.00 175.76 179.22 1dgq s THR 231 N -1.26 2.66 -1.34 0.00 2.01 0.13 -4.57 115.64 113.26 1dgq s THR 231 Ca 0.44 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.28 1dgq s THR 231 Cb -0.26 -3.00 0.06 0.00 0.01 0.00 0.00 72.50 69.31 1dgq s THR 231 CO 0.33 -0.00 1.87 0.29 -0.69 0.00 0.00 174.62 176.42 1dgq n LYS 232 N 6.32 3.11 -3.63 4.92 4.76 -1.26 -0.40 118.16 131.96 1dgq n LYS 232 Ca 0.19 -3.10 -0.36 0.00 -2.87 0.00 0.00 58.31 52.17 1dgq n LYS 232 Cb 0.39 -3.43 -0.08 0.00 -1.84 0.00 0.00 35.03 30.06 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 3.90 5.35 -0.35 -0.18 1.01 -0.17 -0.70 120.40 129.27 1dgq s VAL 233 Ca 0.52 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.83 1dgq s VAL 233 Cb 0.07 -3.53 0.10 0.00 0.00 0.00 0.00 36.38 33.02 1dgq s VAL 233 CO 0.03 0.37 0.08 -0.22 0.00 0.00 0.00 175.10 175.36 1dgq s LEU 234 N 0.78 4.41 -0.57 3.92 2.96 0.46 -0.58 118.68 130.05 1dgq s LEU 234 Ca 0.10 -2.18 -0.20 0.00 -0.22 0.00 0.00 54.13 51.64 1dgq s LEU 234 Cb -0.13 -1.53 0.08 0.00 0.50 0.00 0.00 46.19 45.11 1dgq s LEU 234 CO 0.03 -0.37 0.74 -0.63 -1.32 0.00 0.00 176.35 174.79 1dgq s ILE 235 N 0.88 4.73 0.05 6.68 1.01 0.45 -0.69 121.20 134.30 1dgq s ILE 235 Ca 0.11 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.80 1dgq s ILE 235 Cb -0.19 -4.47 -0.05 0.00 0.01 0.00 0.00 42.46 37.76 1dgq s ILE 235 CO -0.09 -1.08 1.11 -0.63 0.00 0.00 0.00 174.94 174.25 1dgq s ILE 236 N 2.97 4.31 -0.24 2.92 1.09 0.64 -0.56 121.20 132.33 1dgq s ILE 236 Ca 0.15 1.68 0.01 0.00 -1.10 0.00 0.00 60.65 61.39 1dgq s ILE 236 Cb -0.21 -4.08 0.04 0.00 -1.06 0.00 0.00 42.46 37.15 1dgq s ILE 236 CO 0.09 0.14 -0.10 -0.63 -0.10 0.00 0.00 174.94 174.34 1dgq s ILE 237 N 0.94 2.45 -0.05 2.92 1.01 0.10 -0.74 121.20 127.83 1dgq s ILE 237 Ca 0.56 -1.27 -0.10 0.00 0.00 0.00 0.00 60.65 59.83 1dgq s ILE 237 Cb -0.26 -2.29 0.02 0.00 0.01 0.00 0.00 42.46 39.94 1dgq s ILE 237 CO 0.29 0.16 0.24 0.28 0.00 0.00 0.00 174.94 175.91 1dgq s THR 238 N 1.23 0.04 -0.67 2.92 -1.32 -0.53 -0.31 115.64 116.99 1dgq s THR 238 Ca -0.03 -0.30 0.23 0.00 -1.21 0.00 0.00 61.69 60.38 1dgq s THR 238 Cb -0.17 -0.45 -0.12 0.00 -1.51 0.00 0.00 72.50 70.24 1dgq s THR 238 CO -0.06 -0.17 1.03 -0.90 -2.21 0.00 0.00 174.62 172.31 1dgq n ASP 239 N 2.12 0.63 -4.28 8.08 5.75 -1.26 -0.58 116.55 127.00 1dgq n ASP 239 Ca -0.18 -0.30 -0.24 0.00 -0.01 0.00 0.00 54.79 54.06 1dgq n ASP 239 Cb 0.57 0.81 -0.13 0.00 -1.03 0.00 0.00 41.12 41.34 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 -3.55 1.21 0.88 6.12 0.00 -1.26 -2.12 107.32 108.60 1dgq s GLY 240 Ca 0.04 -1.21 -0.11 0.00 0.00 0.00 0.00 44.72 43.45 1dgq s GLY 240 CO 0.80 -1.19 1.15 -0.54 0.00 0.00 0.00 173.10 173.32 1dgq s GLU 241 N -1.76 1.28 -0.64 2.90 2.02 -1.26 -4.91 118.70 116.33 1dgq s GLU 241 Ca 0.07 1.52 -0.26 0.00 0.02 0.00 0.00 54.97 56.31 1dgq s GLU 241 Cb -0.10 -1.76 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 1dgq s GLU 241 CO 0.04 -2.43 1.78 0.00 0.02 0.00 0.00 175.26 174.67 1dgq s ALA 242 N -2.63 2.23 0.55 5.21 0.00 -1.26 -4.73 121.76 121.13 1dgq s ALA 242 Ca 0.67 -0.79 0.36 0.00 0.00 0.00 0.00 51.96 52.20 1dgq s ALA 242 Cb -0.23 -4.31 1.98 0.00 0.00 0.00 0.00 23.12 20.56 1dgq s ALA 242 CO 0.57 -3.85 2.25 1.79 0.00 0.00 0.00 175.76 176.52 1dgq h THR 243 N 6.78 0.27 0.00 0.00 1.35 -0.95 -3.21 112.91 117.15 1dgq h THR 243 Ca -0.25 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.46 1dgq h THR 243 Cb 1.14 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1dgq h THR 243 CO 1.23 0.02 -0.33 -0.78 -0.25 0.00 0.00 175.52 175.41 1dgq h ASP 244 N 0.00 0.00 -6.31 5.36 3.58 -1.89 -3.49 116.42 113.68 1dgq h ASP 244 Ca -0.00 -0.04 -0.47 0.00 0.42 0.00 0.00 57.03 56.94 1dgq h ASP 244 Cb 0.10 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.12 1dgq h ASP 244 CO 0.00 0.69 -0.78 -1.20 -2.88 0.00 0.00 179.24 175.07 1dgq n SER 245 N -4.67 -3.91 0.00 2.28 7.64 -1.22 -4.97 113.62 108.77 1dgq n SER 245 Ca -0.05 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.02 1dgq n SER 245 Cb 0.18 -3.80 0.00 0.00 -1.01 0.00 0.00 64.21 59.58 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 -1.67 1.20 3.45 0.23 0.00 -1.26 -5.07 105.19 102.07 1dgq n GLY 246 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.14 -0.02 0.00 1.61 2.20 -1.26 -5.07 114.94 111.26 1dgq s ASN 247 Ca 0.00 -0.97 0.05 0.00 -0.94 0.00 0.00 52.86 51.01 1dgq s ASN 247 Cb 0.00 0.51 0.09 0.00 -2.00 0.00 0.00 41.25 39.85 1dgq s ASN 247 CO 0.00 -1.02 0.98 2.30 -2.94 0.00 0.00 177.10 176.42 1dgq n ILE 248 N -0.31 0.00 -0.32 0.54 -5.35 -1.26 -4.64 119.36 108.02 1dgq n ILE 248 Ca -0.03 -0.21 0.05 0.00 -0.27 0.00 0.00 62.75 62.29 1dgq n ILE 248 Cb 0.63 0.55 0.24 0.00 -1.74 0.00 0.00 39.64 39.32 1dgq n ILE 248 CO 0.00 0.00 0.00 -0.78 -1.76 0.00 0.00 176.55 174.01 1dgq h ASP 249 N 0.21 0.91 -1.35 7.28 3.58 -1.98 0.76 116.42 125.83 1dgq h ASP 249 Ca -0.07 0.02 0.39 0.00 0.42 0.00 0.00 57.03 57.79 1dgq h ASP 249 Cb 1.46 -0.18 -0.08 0.00 1.72 0.00 0.00 39.33 42.25 1dgq h ASP 249 CO 0.01 0.56 0.94 0.00 -2.88 0.00 0.00 179.24 177.87 1dgq h ALA 250 N 1.51 3.04 -0.47 -0.78 0.00 -1.96 0.01 119.26 120.61 1dgq h ALA 250 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1dgq h ALA 250 Cb 0.28 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1dgq h ALA 250 CO -0.17 -1.50 0.00 0.00 0.00 0.00 0.00 179.25 177.58 1dgq n ALA 251 N -2.70 2.30 -0.29 0.00 0.00 0.25 -4.76 120.51 115.31 1dgq n ALA 251 Ca 0.32 -1.25 0.12 0.00 0.00 0.00 0.00 53.44 52.63 1dgq n ALA 251 Cb 1.37 -0.61 0.28 0.00 0.00 0.00 0.00 19.45 20.49 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 2.77 0.23 0.00 0.00 2.10 -0.86 0.95 116.57 121.76 1dgq h LYS 252 Ca 0.00 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 1dgq h LYS 252 Cb 0.86 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.14 1dgq h LYS 252 CO 0.02 0.15 -0.03 -0.44 -2.00 0.00 0.00 179.45 177.15 1dgq h ASP 253 N 0.24 0.00 -3.77 7.07 3.32 -1.85 -3.46 116.42 117.96 1dgq h ASP 253 Ca 0.54 -0.00 -0.49 0.00 0.02 0.00 0.00 57.03 57.10 1dgq h ASP 253 Cb 1.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 1dgq h ASP 253 CO -0.63 0.00 0.26 -0.63 -1.72 0.00 0.00 179.24 176.53 1dgq s ILE 254 N -3.19 4.33 -0.87 0.35 1.01 0.33 -4.95 121.20 118.21 1dgq s ILE 254 Ca 0.08 1.66 -0.24 0.00 0.00 0.00 0.00 60.65 62.14 1dgq s ILE 254 Cb 0.07 -3.97 0.05 0.00 0.01 0.00 0.00 42.46 38.61 1dgq s ILE 254 CO 0.66 0.19 1.32 -0.63 0.00 0.00 0.00 174.94 176.47 1dgq s ILE 255 N -1.56 3.92 -0.87 2.92 -1.09 0.13 -4.83 121.20 119.83 1dgq s ILE 255 Ca 0.47 -0.29 -0.25 0.00 -2.23 0.00 0.00 60.65 58.35 1dgq s ILE 255 Cb -0.18 -4.95 0.00 0.00 -1.58 0.00 0.00 42.46 35.75 1dgq s ILE 255 CO 0.23 -1.84 1.67 -0.13 -1.23 0.00 0.00 174.94 173.64 1dgq s ARG 256 N 5.07 3.01 0.06 2.79 3.00 -1.26 -0.40 118.95 131.21 1dgq s ARG 256 Ca 0.38 -0.41 -0.23 0.00 0.00 0.00 0.00 55.73 55.48 1dgq s ARG 256 Cb -0.05 -4.91 -0.06 0.00 0.00 0.00 0.00 34.95 29.93 1dgq s ARG 256 CO 0.02 -2.70 0.68 -0.47 0.00 0.00 0.00 175.30 172.83 1dgq s TYR 257 N 7.56 3.77 -0.08 -0.53 6.14 0.13 -1.24 117.35 133.10 1dgq s TYR 257 Ca 0.56 1.38 -0.02 0.00 0.64 0.00 0.00 57.07 59.63 1dgq s TYR 257 Cb -0.06 -2.68 0.03 0.00 0.42 0.00 0.00 41.96 39.68 1dgq s TYR 257 CO 0.02 0.41 0.03 -1.50 0.64 0.00 0.00 175.55 175.14 1dgq s ILE 258 N -0.51 0.22 -0.42 3.14 2.07 0.21 -0.26 121.20 125.65 1dgq s ILE 258 Ca 0.34 0.14 -0.19 0.00 -1.41 0.00 0.00 60.65 59.53 1dgq s ILE 258 Cb -0.20 -0.47 0.02 0.00 0.13 0.00 0.00 42.46 41.94 1dgq s ILE 258 CO 0.21 0.17 0.55 -0.63 -1.91 0.00 0.00 174.94 173.33 1dgq s ILE 259 N 2.03 4.94 -0.56 2.00 1.01 0.08 -0.79 121.20 129.91 1dgq s ILE 259 Ca 0.04 -0.02 -0.18 0.00 0.00 0.00 0.00 60.65 60.49 1dgq s ILE 259 Cb -0.13 -4.12 0.09 0.00 0.01 0.00 0.00 42.46 38.32 1dgq s ILE 259 CO -0.05 -0.49 0.65 -0.83 0.00 0.00 0.00 174.94 174.22 1dgq s GLY 260 N 1.90 1.82 0.27 6.18 0.00 0.12 -1.45 107.32 116.16 1dgq s GLY 260 Ca 0.18 -2.14 -0.29 0.00 0.00 0.00 0.00 44.72 42.47 1dgq s GLY 260 CO 0.16 1.49 1.34 -0.42 0.00 0.00 0.00 173.10 175.67 1dgq s ILE 261 N 2.51 2.85 0.00 0.90 -1.09 0.25 -0.51 121.20 126.11 1dgq s ILE 261 Ca 0.11 0.77 -0.04 0.00 -2.23 0.00 0.00 60.65 59.27 1dgq s ILE 261 Cb -0.24 -3.49 -0.16 0.00 -1.58 0.00 0.00 42.46 37.00 1dgq s ILE 261 CO 0.07 0.15 2.72 0.61 -1.23 0.00 0.00 174.94 177.27 1dgq n GLY 262 N 1.62 2.56 0.05 6.18 0.00 0.90 -2.86 105.19 113.65 1dgq n GLY 262 Ca 0.03 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.30 1dgq n GLY 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1dgq n LYS 263 N 2.25 0.33 0.06 1.61 4.76 -1.26 -4.14 118.16 121.77 1dgq n LYS 263 Ca 0.25 0.23 -0.22 0.00 -2.87 0.00 0.00 58.31 55.70 1dgq n LYS 263 Cb 0.68 -1.19 -0.15 0.00 -1.84 0.00 0.00 35.03 32.53 1dgq n LYS 263 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1dgq h HIS 264 N -0.65 0.66 0.00 2.13 3.86 -1.50 -3.37 115.15 116.28 1dgq h HIS 264 Ca 0.00 -0.48 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 1dgq h HIS 264 Cb 0.55 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1dgq h HIS 264 CO -0.24 1.70 0.00 1.19 0.86 0.00 0.00 177.93 181.44 1dgq n PHE 265 N -3.56 0.00 0.09 2.45 3.72 -1.13 -1.91 117.46 117.11 1dgq n PHE 265 Ca -0.26 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.06 1dgq n PHE 265 Cb 1.07 -0.06 0.03 0.00 -0.94 0.00 0.00 39.48 39.58 1dgq n PHE 265 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1dgq h GLN 266 N 0.22 0.20 -6.06 -1.08 3.07 -1.72 -3.42 115.11 106.32 1dgq h GLN 266 Ca 0.00 -0.19 -0.56 0.00 0.09 0.00 0.00 58.65 57.98 1dgq h GLN 266 Cb 0.28 0.05 -0.05 0.00 0.08 0.00 0.00 27.48 27.84 1dgq h GLN 266 CO 0.00 0.90 0.26 0.95 0.09 0.00 0.00 178.83 181.03 1dgq s THR 267 N -3.34 4.95 0.18 1.86 -4.23 -0.80 -4.97 115.64 109.29 1dgq s THR 267 Ca -0.03 1.62 -0.15 0.00 -1.18 0.00 0.00 61.69 61.95 1dgq s THR 267 Cb 0.11 -4.13 0.14 0.00 1.34 0.00 0.00 72.50 69.96 1dgq s THR 267 CO 0.82 0.14 1.66 0.50 -0.54 0.00 0.00 174.62 177.21 1dgq h LYS 268 N 7.01 0.04 -0.88 3.99 1.63 -1.89 0.89 116.57 127.35 1dgq h LYS 268 Ca -0.36 -0.00 0.17 0.00 -0.85 0.00 0.00 60.65 59.61 1dgq h LYS 268 Cb 1.17 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.69 1dgq h LYS 268 CO 0.79 0.03 0.45 1.05 -3.45 0.00 0.00 179.45 178.31 1dgq h GLU 269 N 0.04 0.57 0.03 1.90 4.11 -1.96 0.66 114.58 119.93 1dgq h GLU 269 Ca 0.24 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.64 1dgq h GLU 269 Cb 0.37 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1dgq h GLU 269 CO -0.47 0.38 -0.01 0.77 0.07 0.00 0.00 179.01 179.74 1dgq h SER 270 N 0.58 -0.03 -0.50 3.06 0.02 -1.19 -3.05 113.55 112.44 1dgq h SER 270 Ca 0.50 -0.29 0.10 0.00 -0.84 0.00 0.00 61.79 61.26 1dgq h SER 270 Cb 0.79 0.01 -0.10 0.00 0.14 0.00 0.00 62.40 63.24 1dgq h SER 270 CO -0.41 0.28 -0.17 1.56 -1.14 0.00 0.00 176.83 176.95 1dgq h GLN 271 N -0.35 -0.05 -0.47 3.45 4.20 -0.09 -1.24 115.11 120.57 1dgq h GLN 271 Ca -0.00 0.00 0.14 0.00 0.06 0.00 0.00 58.65 58.84 1dgq h GLN 271 Cb 0.33 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1dgq h GLN 271 CO 0.01 -0.03 0.38 0.93 -0.67 0.00 0.00 178.83 179.45 1dgq h GLU 272 N -0.05 0.00 -0.54 1.46 5.08 -0.81 -0.22 114.58 119.50 1dgq h GLU 272 Ca 0.24 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1dgq h GLU 272 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 1dgq h GLU 272 CO -0.54 0.00 0.25 1.79 -1.00 0.00 0.00 179.01 179.51 1dgq h THR 273 N 0.00 1.21 -0.87 1.13 1.35 -1.14 -3.13 112.91 111.47 1dgq h THR 273 Ca 0.22 -0.61 0.12 0.00 -0.55 0.00 0.00 66.41 65.59 1dgq h THR 273 Cb 0.98 0.60 -0.08 0.00 -1.73 0.00 0.00 68.15 67.92 1dgq h THR 273 CO -0.00 0.24 0.49 -0.07 -0.25 0.00 0.00 175.52 175.93 1dgq h LEU 274 N 0.73 0.67 -1.43 3.87 3.38 -1.10 0.46 115.31 121.89 1dgq h LEU 274 Ca 0.18 0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.45 1dgq h LEU 274 Cb 0.15 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 40.75 1dgq h LEU 274 CO -0.02 0.35 0.64 0.45 0.09 0.00 0.00 178.44 179.95 1dgq h HIS 275 N 0.77 0.60 -0.14 1.13 3.86 -1.60 0.20 115.15 119.97 1dgq h HIS 275 Ca 0.44 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.47 1dgq h HIS 275 Cb 0.49 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.78 1dgq h HIS 275 CO -0.06 0.11 -0.72 0.87 0.86 0.00 0.00 177.93 178.98 1dgq h LYS 276 N 0.41 0.64 -0.08 2.45 1.57 -1.02 -3.30 116.57 117.23 1dgq h LYS 276 Ca 0.54 -0.50 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 1dgq h LYS 276 Cb 1.35 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.76 1dgq h LYS 276 CO -0.24 1.12 -0.32 0.74 -0.57 0.00 0.00 179.45 180.18 1dgq h PHE 277 N 0.44 0.48 -3.85 -1.35 -1.00 -0.82 -3.46 116.94 107.38 1dgq h PHE 277 Ca -0.03 -0.20 -0.48 0.00 2.81 0.00 0.00 57.97 60.06 1dgq h PHE 277 Cb 1.32 -0.08 0.19 0.00 3.61 0.00 0.00 35.95 41.00 1dgq h PHE 277 CO 0.07 0.94 0.15 0.00 -1.61 0.00 0.00 178.31 177.85 1dgq s ALA 278 N -3.71 0.76 0.78 2.45 0.00 0.45 -4.80 121.76 117.70 1dgq s ALA 278 Ca -0.14 0.19 -0.12 0.00 0.00 0.00 0.00 51.96 51.89 1dgq s ALA 278 Cb 0.04 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.90 1dgq s ALA 278 CO 0.78 -3.07 1.11 -1.12 0.00 0.00 0.00 175.76 173.46 1dgq s SER 279 N -2.77 4.70 0.01 0.00 0.01 -0.37 -4.88 113.70 110.39 1dgq s SER 279 Ca 0.67 1.12 0.01 0.00 1.31 0.00 0.00 55.95 59.06 1dgq s SER 279 Cb -0.23 -1.82 -0.04 0.00 0.21 0.00 0.00 66.02 64.15 1dgq s SER 279 CO 0.60 -1.82 0.04 -0.54 0.41 0.00 0.00 173.24 171.93 1dgq s LYS 280 N -5.31 2.88 0.06 12.44 -0.14 -1.26 -3.45 119.74 124.97 1dgq s LYS 280 Ca 0.60 -0.59 -0.31 0.00 -1.36 0.00 0.00 55.97 54.32 1dgq s LYS 280 Cb -0.13 -2.74 -0.06 0.00 -1.68 0.00 0.00 37.83 33.22 1dgq s LYS 280 CO 0.52 0.62 1.29 -2.14 -0.76 0.00 0.00 175.35 174.88 1dgq s PRO 281 N -1.76 4.37 0.51 -1.68 0.02 -1.26 -4.98 135.00 130.22 1dgq s PRO 281 Ca 0.22 1.89 0.21 0.00 0.02 0.00 0.00 61.00 63.34 1dgq s PRO 281 Cb -0.12 -3.35 1.30 0.00 0.02 0.00 0.00 34.50 32.35 1dgq s PRO 281 CO 0.13 -0.37 2.04 0.00 -0.33 0.00 0.00 177.00 178.47 1dgq h ALA 282 N 6.97 2.27 -0.40 -1.55 0.00 -1.88 0.76 119.26 125.43 1dgq h ALA 282 Ca -0.41 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.54 1dgq h ALA 282 Cb 1.20 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1dgq h ALA 282 CO 0.84 -0.37 0.27 0.77 0.00 0.00 0.00 179.25 180.76 1dgq h SER 283 N 0.06 0.31 0.00 0.00 0.02 -1.89 0.17 113.55 112.23 1dgq h SER 283 Ca 0.18 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1dgq h SER 283 Cb 0.63 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1dgq h SER 283 CO -0.01 0.21 -0.56 -0.33 -1.14 0.00 0.00 176.83 174.99 1dgq h GLU 284 N 0.36 0.00 0.06 3.45 5.08 -1.24 -3.41 114.58 118.87 1dgq h GLU 284 Ca 0.17 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.29 1dgq h GLU 284 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1dgq h GLU 284 CO -0.04 0.99 -1.11 0.74 -1.00 0.00 0.00 179.01 178.58 1dgq h PHE 285 N -1.00 0.22 -3.48 4.33 0.04 -1.12 -3.43 116.94 112.50 1dgq h PHE 285 Ca -0.16 -0.16 -0.53 0.00 2.80 0.00 0.00 57.97 59.92 1dgq h PHE 285 Cb 1.13 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 39.24 1dgq h PHE 285 CO 0.19 1.13 0.25 0.08 -0.60 0.00 0.00 178.31 179.36 1dgq s VAL 286 N -2.68 4.65 -0.18 -0.55 1.01 0.59 -0.62 120.40 122.61 1dgq s VAL 286 Ca -0.01 1.82 -0.02 0.00 0.00 0.00 0.00 61.98 63.77 1dgq s VAL 286 Cb 0.09 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.32 1dgq s VAL 286 CO 0.85 0.34 0.01 -0.75 0.00 0.00 0.00 175.10 175.55 1dgq s LYS 287 N 0.02 0.83 0.02 2.72 2.47 0.03 -4.75 119.74 121.09 1dgq s LYS 287 Ca 0.42 -0.44 -0.30 0.00 -1.56 0.00 0.00 55.97 54.09 1dgq s LYS 287 Cb -0.22 -2.04 -0.04 0.00 -1.46 0.00 0.00 37.83 34.07 1dgq s LYS 287 CO 0.26 -0.58 1.05 0.42 0.16 0.00 0.00 175.35 176.65 1dgq s ILE 288 N 1.80 4.59 -0.31 5.43 -1.09 -1.26 -0.70 121.20 129.65 1dgq s ILE 288 Ca -0.01 1.87 0.02 0.00 -2.23 0.00 0.00 60.65 60.30 1dgq s ILE 288 Cb -0.17 -4.20 0.09 0.00 -1.58 0.00 0.00 42.46 36.61 1dgq s ILE 288 CO -0.07 0.15 0.05 -0.22 -1.23 0.00 0.00 174.94 173.61 1dgq s LEU 289 N 0.97 3.57 0.28 2.97 2.96 0.33 -4.91 118.68 124.87 1dgq s LEU 289 Ca 0.54 -1.82 0.02 0.00 -0.22 0.00 0.00 54.13 52.65 1dgq s LEU 289 Cb -0.24 -1.31 0.70 0.00 0.50 0.00 0.00 46.19 45.84 1dgq s LEU 289 CO 0.29 -0.36 1.66 -2.24 -1.32 0.00 0.00 176.35 174.38 1dgq h ASP 290 N 7.82 0.11 -5.07 3.68 3.04 -1.91 0.25 116.42 124.35 1dgq h ASP 290 Ca -0.10 0.18 -0.14 0.00 -3.24 0.00 0.00 57.03 53.74 1dgq h ASP 290 Cb 1.03 0.22 -0.18 0.00 -1.04 0.00 0.00 39.33 39.35 1dgq h ASP 290 CO 0.49 -0.10 -0.57 0.42 -2.04 0.00 0.00 179.24 177.43 1dgq s THR 291 N -5.93 0.13 0.34 1.15 -4.23 -1.26 -3.30 115.64 102.55 1dgq s THR 291 Ca -0.12 -1.10 0.11 0.00 -1.18 0.00 0.00 61.69 59.41 1dgq s THR 291 Cb 0.25 -0.79 0.33 0.00 1.34 0.00 0.00 72.50 73.64 1dgq s THR 291 CO 0.77 -0.60 1.75 -0.26 -0.54 0.00 0.00 174.62 175.74 1dgq h PHE 292 N 3.87 0.92 -0.93 3.99 0.04 -1.97 0.28 116.94 123.14 1dgq h PHE 292 Ca -0.32 0.03 0.27 0.00 2.80 0.00 0.00 57.97 60.75 1dgq h PHE 292 Cb 1.19 -0.27 -0.16 0.00 2.20 0.00 0.00 35.95 38.91 1dgq h PHE 292 CO 0.57 0.10 0.26 0.93 -0.60 0.00 0.00 178.31 179.56 1dgq h GLU 293 N 0.56 0.14 0.00 1.51 3.07 -1.97 0.12 114.58 118.01 1dgq h GLU 293 Ca 0.62 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.47 1dgq h GLU 293 Cb 1.24 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 1dgq h GLU 293 CO -0.41 0.09 0.00 1.63 -1.40 0.00 0.00 179.01 178.93 1dgq n LYS 294 N -5.27 0.49 -0.22 2.33 4.76 0.09 -3.55 118.16 116.78 1dgq n LYS 294 Ca 0.25 0.04 0.23 0.00 -2.87 0.00 0.00 58.31 55.96 1dgq n LYS 294 Cb 0.80 -1.50 0.59 0.00 -1.84 0.00 0.00 35.03 33.08 1dgq n LYS 294 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1dgq h LEU 295 N 0.00 0.27 -0.31 -0.35 3.38 -0.86 0.15 115.31 117.59 1dgq h LEU 295 Ca 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 1dgq h LEU 295 Cb 0.12 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1dgq h LEU 295 CO 0.00 0.10 0.01 0.11 0.09 0.00 0.00 178.44 178.75 1dgq h LYS 296 N 0.26 0.53 -0.02 1.13 1.79 -1.78 0.27 116.57 118.75 1dgq h LYS 296 Ca 0.46 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1dgq h LYS 296 Cb 1.38 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.98 1dgq h LYS 296 CO -0.13 0.66 0.00 0.22 -1.08 0.00 0.00 179.45 179.13 1dgq h ASP 297 N 0.34 0.03 -0.43 0.86 3.58 -1.27 -2.00 116.42 117.52 1dgq h ASP 297 Ca 0.09 -0.24 0.06 0.00 0.42 0.00 0.00 57.03 57.36 1dgq h ASP 297 Cb 0.41 -0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.40 1dgq h ASP 297 CO 0.01 0.26 0.13 0.25 -2.88 0.00 0.00 179.24 177.01 1dgq h LEU 298 N -0.21 0.10 -0.44 2.28 5.85 -0.80 -0.22 115.31 121.87 1dgq h LEU 298 Ca 0.01 0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.87 1dgq h LEU 298 Cb 0.25 0.06 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 1dgq h LEU 298 CO 0.00 0.09 -0.20 0.15 -0.34 0.00 0.00 178.44 178.14 1dgq h PHE 299 N 0.28 -0.51 -0.42 1.25 3.57 -0.34 0.19 116.94 120.96 1dgq h PHE 299 Ca 0.20 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.79 1dgq h PHE 299 Cb 0.22 0.29 -0.04 0.00 2.79 0.00 0.00 35.95 39.21 1dgq h PHE 299 CO -0.17 -0.29 0.19 1.15 -2.23 0.00 0.00 178.31 176.96 1dgq h THR 300 N -0.11 0.93 0.39 4.41 2.02 -0.47 0.31 112.91 120.38 1dgq h THR 300 Ca 0.21 -0.13 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1dgq h THR 300 Cb 0.44 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1dgq h THR 300 CO -0.51 0.07 -0.29 -0.08 0.37 0.00 0.00 175.52 175.07 1dgq h GLU 301 N 0.38 -0.65 -0.54 6.66 4.81 -0.01 0.45 114.58 125.68 1dgq h GLU 301 Ca 0.19 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 1dgq h GLU 301 Cb 0.13 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1dgq h GLU 301 CO -0.16 -0.44 0.05 -0.07 -0.73 0.00 0.00 179.01 177.67 1dgq h LEU 302 N -0.68 0.84 -0.61 1.64 3.38 -0.41 -1.88 115.31 117.60 1dgq h LEU 302 Ca -0.03 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1dgq h LEU 302 Cb 0.58 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1dgq h LEU 302 CO -0.00 0.88 0.34 -0.61 0.09 0.00 0.00 178.44 179.14 1dgq h GLN 303 N 0.83 0.63 -0.17 1.13 5.75 -0.20 0.19 115.11 123.27 1dgq h GLN 303 Ca 0.17 -0.04 0.03 0.00 -0.15 0.00 0.00 58.65 58.66 1dgq h GLN 303 Cb 0.42 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.80 1dgq h GLN 303 CO 0.01 0.42 -0.01 -0.22 -2.65 0.00 0.00 178.83 176.38 1dgq h LYS 304 N 0.65 0.04 0.24 1.69 1.63 -0.32 0.14 116.57 120.63 1dgq h LYS 304 Ca 0.27 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1dgq h LYS 304 Cb 0.13 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1dgq h LYS 304 CO -0.16 0.02 -0.26 0.87 -3.45 0.00 0.00 179.45 176.48 1dgq h LYS 305 N 0.04 -0.52 -0.90 1.90 1.57 -0.58 -2.52 116.57 115.56 1dgq h LYS 305 Ca 0.08 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.05 1dgq h LYS 305 Cb 0.11 0.12 -0.10 0.00 0.08 0.00 0.00 32.23 32.44 1dgq h LYS 305 CO -0.15 -0.35 0.49 0.82 -0.57 0.00 0.00 179.45 179.69 1dgq h ILE 306 N -0.54 0.73 -0.85 1.86 2.04 -0.47 -0.33 117.51 119.95 1dgq h ILE 306 Ca -0.00 -0.23 0.17 0.00 1.00 0.00 0.00 64.86 65.79 1dgq h ILE 306 Cb 0.51 -0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 1dgq h ILE 306 CO -0.07 0.12 0.56 0.22 0.00 0.00 0.00 178.15 178.98 1dgq h TYR 307 N 0.67 0.63 -0.85 1.37 3.20 -0.27 0.22 116.97 121.95 1dgq h TYR 307 Ca 0.50 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.38 1dgq h TYR 307 Cb 0.71 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1dgq h TYR 307 CO -0.07 0.21 0.51 0.28 -1.64 0.00 0.00 178.16 177.45 1dgq h VAL 308 N 0.51 1.23 -0.06 1.81 2.07 -0.98 0.28 116.25 121.11 1dgq h VAL 308 Ca 0.43 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1dgq h VAL 308 Cb 0.91 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1dgq h VAL 308 CO -0.17 0.25 -0.17 0.40 0.02 0.00 0.00 177.57 177.90 1dgq h ILE 309 N 1.17 1.43 -0.94 4.57 1.08 -0.70 -2.94 117.51 121.18 1dgq h ILE 309 Ca 0.30 -1.53 0.12 0.00 -0.39 0.00 0.00 64.86 63.36 1dgq h ILE 309 Cb -0.05 2.28 -0.08 0.00 -3.07 0.00 0.00 36.82 35.91 1dgq h ILE 309 CO -0.06 0.43 0.60 -0.08 -0.69 0.00 0.00 178.15 178.35 1dgq h GLU 310 N -0.29 0.84 0.00 2.37 4.81 -0.78 -3.39 114.58 118.14 1dgq h GLU 310 Ca -0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1dgq h GLU 310 Cb 0.78 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1dgq h GLU 310 CO 0.04 0.56 0.00 0.41 -0.73 0.00 0.00 179.01 179.28