#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dgq h ALA 125 N 0.00 -0.60 0.00 3.04 0.00 -2.00 -3.36 119.26 116.34 1dgq h ALA 125 Ca 0.00 -0.07 -0.64 0.00 0.00 0.00 0.00 54.91 54.20 1dgq h ALA 125 Cb 0.00 0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1dgq h ALA 125 CO 0.00 -0.57 3.35 0.43 0.00 0.00 0.00 179.25 182.46 1dgq n SER 126 N -3.57 6.30 -1.23 0.00 7.64 -1.26 -4.51 113.62 116.98 1dgq n SER 126 Ca -0.04 -2.62 0.09 0.00 1.01 0.00 0.00 58.87 57.30 1dgq n SER 126 Cb 0.13 -1.49 0.28 0.00 -1.01 0.00 0.00 64.21 62.13 1dgq n SER 126 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 1dgq n LYS 127 N 4.68 2.80 0.00 1.43 2.85 -1.25 -4.87 118.16 123.80 1dgq n LYS 127 Ca 0.64 -2.25 0.00 0.00 -1.05 0.00 0.00 58.31 55.65 1dgq n LYS 127 Cb 0.28 -1.62 0.00 0.00 -0.65 0.00 0.00 35.03 33.04 1dgq n LYS 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1dgq n GLY 128 N 1.24 1.31 3.67 2.58 0.00 -1.09 -4.90 105.19 108.00 1dgq n GLY 128 Ca 0.21 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 6.93 -0.03 1.61 3.84 -1.26 -4.49 114.94 121.54 1dgq s ASN 129 Ca 0.00 1.88 0.01 0.00 0.21 0.00 0.00 52.86 54.95 1dgq s ASN 129 Cb 0.00 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.18 1dgq s ASN 129 CO 0.00 -0.72 -0.01 -0.69 -2.79 0.00 0.00 177.10 172.90 1dgq s VAL 130 N 2.93 0.21 -0.48 -5.21 1.01 0.05 -0.62 120.40 118.29 1dgq s VAL 130 Ca 0.59 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 62.49 1dgq s VAL 130 Cb -0.26 -0.29 0.10 0.00 0.00 0.00 0.00 36.38 35.93 1dgq s VAL 130 CO 0.21 0.14 0.39 -1.81 0.00 0.00 0.00 175.10 174.03 1dgq s ASP 131 N 0.93 5.98 -0.44 3.32 1.01 0.24 -0.43 116.67 127.29 1dgq s ASP 131 Ca -0.10 -1.60 -0.14 0.00 0.71 0.00 0.00 52.55 51.43 1dgq s ASP 131 Cb -0.13 -2.12 0.06 0.00 1.01 0.00 0.00 42.92 41.74 1dgq s ASP 131 CO -0.01 -0.70 0.33 -0.22 0.21 0.00 0.00 175.17 174.78 1dgq s LEU 132 N 1.54 5.33 -0.32 1.23 0.20 0.25 -0.56 118.68 126.35 1dgq s LEU 132 Ca 0.04 -1.25 -0.20 0.00 0.69 0.00 0.00 54.13 53.41 1dgq s LEU 132 Cb -0.26 -2.12 -0.01 0.00 -0.43 0.00 0.00 46.19 43.37 1dgq s LEU 132 CO 0.03 -0.56 0.62 -0.69 -0.29 0.00 0.00 176.35 175.47 1dgq s VAL 133 N 1.59 4.93 -0.68 1.68 1.01 0.17 -1.28 120.40 127.82 1dgq s VAL 133 Ca 0.04 0.76 -0.24 0.00 0.00 0.00 0.00 61.98 62.53 1dgq s VAL 133 Cb -0.22 -4.01 0.05 0.00 0.00 0.00 0.00 36.38 32.19 1dgq s VAL 133 CO 0.06 -0.18 1.09 -0.36 0.00 0.00 0.00 175.10 175.70 1dgq s PHE 134 N 2.62 2.53 -1.03 5.22 0.08 0.23 -0.35 117.98 127.28 1dgq s PHE 134 Ca 0.24 -0.30 -0.17 0.00 0.12 0.00 0.00 56.93 56.82 1dgq s PHE 134 Cb -0.15 -4.41 0.14 0.00 -0.57 0.00 0.00 43.02 38.03 1dgq s PHE 134 CO 0.13 -1.79 1.24 -1.17 -0.10 0.00 0.00 175.22 173.53 1dgq s LEU 135 N 4.70 4.98 -0.16 -0.37 2.96 0.29 -0.53 118.68 130.55 1dgq s LEU 135 Ca 0.28 -2.32 -0.06 0.00 -0.22 0.00 0.00 54.13 51.80 1dgq s LEU 135 Cb -0.13 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1dgq s LEU 135 CO 0.13 -0.98 0.05 0.72 -1.32 0.00 0.00 176.35 174.95 1dgq s PHE 136 N 2.45 3.25 0.19 5.38 -0.71 0.06 -0.67 117.98 127.94 1dgq s PHE 136 Ca 0.37 0.11 -0.28 0.00 -1.04 0.00 0.00 56.93 56.09 1dgq s PHE 136 Cb -0.04 -2.01 -0.08 0.00 -1.21 0.00 0.00 43.02 39.68 1dgq s PHE 136 CO -0.06 0.25 0.86 0.34 -1.34 0.00 0.00 175.22 175.27 1dgq s ASP 137 N 0.02 7.51 -0.33 1.98 2.15 0.60 -0.64 116.67 127.96 1dgq s ASP 137 Ca 0.05 1.79 0.14 0.00 0.43 0.00 0.00 52.55 54.96 1dgq s ASP 137 Cb -0.12 -2.55 0.46 0.00 -0.30 0.00 0.00 42.92 40.41 1dgq s ASP 137 CO 0.01 0.17 1.08 0.61 -0.17 0.00 0.00 175.17 176.88 1dgq n GLY 138 N 1.59 3.70 3.73 2.66 0.00 0.18 -4.85 105.19 112.20 1dgq n GLY 138 Ca -0.04 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 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 -3.51 3.69 0.55 1.61 1.04 -1.25 -0.33 113.70 115.50 1dgq s SER 139 Ca 0.37 1.48 0.29 0.00 0.48 0.00 0.00 55.95 58.57 1dgq s SER 139 Cb 0.40 -2.17 1.46 0.00 0.10 0.00 0.00 66.02 65.81 1dgq s SER 139 CO -0.03 -2.50 1.93 0.00 0.98 0.00 0.00 173.24 173.62 1dgq h MET 140 N -1.45 0.00 -0.97 4.02 -0.00 -1.19 0.68 114.93 116.02 1dgq h MET 140 Ca -0.49 0.00 0.15 0.00 -0.00 0.00 0.00 59.70 59.36 1dgq h MET 140 Cb 1.28 0.00 -0.09 0.00 -0.00 0.00 0.00 31.60 32.79 1dgq h MET 140 CO 0.55 0.00 0.59 0.77 -0.00 0.00 0.00 176.91 178.82 1dgq h SER 141 N 0.00 0.81 -3.75 -0.10 0.02 -1.91 -3.41 113.55 105.21 1dgq h SER 141 Ca 0.29 0.07 -0.49 0.00 -0.84 0.00 0.00 61.79 60.82 1dgq h SER 141 Cb 1.28 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 1dgq h SER 141 CO -0.00 0.37 0.36 -0.76 -1.14 0.00 0.00 176.83 175.66 1dgq s LEU 142 N -10.27 4.64 0.23 5.07 1.02 0.23 -5.07 118.68 114.52 1dgq s LEU 142 Ca -0.12 1.97 0.06 0.00 0.02 0.00 0.00 54.13 56.07 1dgq s LEU 142 Cb 0.23 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.79 1dgq s LEU 142 CO 0.80 0.13 0.19 -1.10 0.02 0.00 0.00 176.35 176.39 1dgq s GLN 143 N -1.15 2.95 0.16 1.70 -1.52 -1.26 -4.87 119.66 115.67 1dgq s GLN 143 Ca 0.42 -1.00 -0.27 0.00 -1.95 0.00 0.00 55.36 52.56 1dgq s GLN 143 Cb -0.26 -2.60 -0.00 0.00 -0.22 0.00 0.00 33.01 29.92 1dgq s GLN 143 CO 0.33 0.42 1.56 -1.35 -0.25 0.00 0.00 175.29 176.00 1dgq h PRO 144 N 1.68 -0.26 -0.87 2.91 0.11 -1.98 -0.41 132.00 133.17 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 1.23 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.32 1dgq h PRO 144 CO 0.61 -0.17 0.51 0.38 -0.21 0.00 0.00 178.00 179.12 1dgq h ASP 145 N -0.27 0.75 -0.10 -2.05 2.03 -1.98 0.16 116.42 114.96 1dgq h ASP 145 Ca 0.15 0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.48 1dgq h ASP 145 Cb 0.57 -0.10 -0.00 0.00 -0.83 0.00 0.00 39.33 38.96 1dgq h ASP 145 CO -0.66 0.43 0.02 -0.33 -1.03 0.00 0.00 179.24 177.66 1dgq h GLU 146 N 0.86 0.17 -0.66 4.15 5.08 -1.54 -0.54 114.58 122.10 1dgq h GLU 146 Ca 0.42 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.72 1dgq h GLU 146 Cb 0.36 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 1dgq h GLU 146 CO -0.24 0.38 0.37 0.35 -1.00 0.00 0.00 179.01 178.87 1dgq h PHE 147 N -0.06 0.90 -0.99 4.33 3.57 -0.58 -0.41 116.94 123.69 1dgq h PHE 147 Ca 0.03 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.60 1dgq h PHE 147 Cb 0.29 -0.29 -0.07 0.00 2.79 0.00 0.00 35.95 38.67 1dgq h PHE 147 CO 0.02 0.64 0.64 1.96 -2.23 0.00 0.00 178.31 179.33 1dgq h GLN 148 N 0.90 1.05 -0.71 1.11 1.08 -0.47 0.11 115.11 118.19 1dgq h GLN 148 Ca 0.23 -0.06 -0.06 0.00 -1.45 0.00 0.00 58.65 57.31 1dgq h GLN 148 Cb 0.03 -0.24 -0.03 0.00 -0.05 0.00 0.00 27.48 27.19 1dgq h GLN 148 CO -0.04 0.69 0.19 0.87 -0.95 0.00 0.00 178.83 179.60 1dgq h LYS 149 N 1.08 1.12 -0.35 1.46 1.57 0.12 0.20 116.57 121.77 1dgq h LYS 149 Ca 0.45 -0.25 0.05 0.00 -1.87 0.00 0.00 60.65 59.03 1dgq h LYS 149 Cb 0.30 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1dgq h LYS 149 CO -0.20 0.97 0.06 0.82 -0.57 0.00 0.00 179.45 180.52 1dgq h ILE 150 N 1.06 0.81 -0.18 1.86 1.08 0.34 0.11 117.51 122.59 1dgq h ILE 150 Ca 0.23 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 64.67 1dgq h ILE 150 Cb 0.34 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1dgq h ILE 150 CO -0.00 0.03 -0.03 -0.07 -0.69 0.00 0.00 178.15 177.39 1dgq h LEU 151 N 0.17 -0.13 -0.48 1.44 3.38 -0.42 -2.63 115.31 116.65 1dgq h LEU 151 Ca 0.17 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.27 1dgq h LEU 151 Cb 0.20 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 1dgq h LEU 151 CO -0.23 -0.04 0.07 -0.78 0.09 0.00 0.00 178.44 177.55 1dgq h ASP 152 N 0.03 -0.06 0.13 -0.43 3.58 -0.07 0.86 116.42 120.46 1dgq h ASP 152 Ca 0.09 0.09 0.02 0.00 0.42 0.00 0.00 57.03 57.65 1dgq h ASP 152 Cb 0.12 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.27 1dgq h ASP 152 CO -0.17 0.00 -0.37 0.15 -2.88 0.00 0.00 179.24 175.97 1dgq h PHE 153 N 0.19 -1.03 0.01 0.28 3.04 -0.78 0.27 116.94 118.92 1dgq h PHE 153 Ca 0.24 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.23 1dgq h PHE 153 Cb 0.33 0.44 -0.02 0.00 2.56 0.00 0.00 35.95 39.25 1dgq h PHE 153 CO -0.24 -0.48 -0.12 0.52 -2.02 0.00 0.00 178.31 175.97 1dgq h MET 154 N -0.61 -0.19 -0.78 1.11 2.86 -1.06 -1.98 114.93 114.27 1dgq h MET 154 Ca 0.03 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.84 1dgq h MET 154 Cb 0.64 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.24 1dgq h MET 154 CO -0.21 -0.13 0.30 -0.22 1.06 0.00 0.00 176.91 177.70 1dgq h LYS 155 N -0.20 0.40 0.64 1.72 3.64 -0.57 0.19 116.57 122.38 1dgq h LYS 155 Ca 0.04 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1dgq h LYS 155 Cb 0.25 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1dgq h LYS 155 CO -0.11 0.26 -0.35 -0.44 -2.27 0.00 0.00 179.45 176.55 1dgq h ASP 156 N 0.41 -0.85 -0.36 4.20 3.32 0.23 0.13 116.42 123.50 1dgq h ASP 156 Ca 0.44 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.61 1dgq h ASP 156 Cb 0.72 0.23 -0.08 0.00 0.22 0.00 0.00 39.33 40.43 1dgq h ASP 156 CO -0.45 -0.57 -0.14 0.58 -1.72 0.00 0.00 179.24 176.95 1dgq h VAL 157 N -0.92 0.54 -0.35 -1.35 2.07 -0.68 -0.46 116.25 115.10 1dgq h VAL 157 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1dgq h VAL 157 Cb 0.72 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1dgq h VAL 157 CO 0.12 0.00 0.17 0.24 0.02 0.00 0.00 177.57 178.12 1dgq h MET 158 N -0.07 0.34 0.62 1.57 2.86 -0.79 0.58 114.93 120.05 1dgq h MET 158 Ca 0.18 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1dgq h MET 158 Cb 0.34 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 1dgq h MET 158 CO -0.41 0.23 -0.50 0.87 1.06 0.00 0.00 176.91 178.15 1dgq h LYS 159 N 0.35 -1.05 -0.86 1.72 1.79 -0.04 -0.00 116.57 118.48 1dgq h LYS 159 Ca 0.15 0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.76 1dgq h LYS 159 Cb 0.06 0.24 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 1dgq h LYS 159 CO -0.10 -0.70 0.53 0.87 -1.08 0.00 0.00 179.45 178.96 1dgq h LYS 160 N -1.09 0.90 -1.04 3.15 6.56 -0.89 -1.83 116.57 122.33 1dgq h LYS 160 Ca -0.08 -0.05 -0.66 0.00 -1.06 0.00 0.00 60.65 58.80 1dgq h LYS 160 Cb 0.92 -0.20 -0.32 0.00 -0.57 0.00 0.00 32.23 32.05 1dgq h LYS 160 CO 0.00 0.60 0.53 1.28 -2.06 0.00 0.00 179.45 179.80 1dgq n LEU 161 N -4.65 7.10 -3.77 2.94 4.77 0.18 -4.89 117.00 118.68 1dgq n LEU 161 Ca 0.13 -4.44 -0.41 0.00 -0.03 0.00 0.00 56.01 51.26 1dgq n LEU 161 Cb 0.21 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.40 1dgq n LEU 161 CO 0.30 1.63 2.05 -1.20 -1.33 0.00 0.00 177.39 178.84 1dgq n SER 162 N -0.84 2.66 -3.67 -1.43 7.64 -0.03 -4.69 113.62 113.27 1dgq n SER 162 Ca 0.58 -2.69 -0.15 0.00 1.01 0.00 0.00 58.87 57.62 1dgq n SER 162 Cb 0.69 -1.22 -0.07 0.00 -1.01 0.00 0.00 64.21 62.59 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 5.14 -0.35 0.56 6.43 2.47 -1.26 -5.06 114.94 122.87 1dgq s ASN 163 Ca 0.59 0.28 0.34 0.00 0.42 0.00 0.00 52.86 54.48 1dgq s ASN 163 Cb 0.12 0.40 1.47 0.00 -1.45 0.00 0.00 41.25 41.80 1dgq s ASN 163 CO 0.11 -0.53 1.78 0.74 -3.72 0.00 0.00 177.10 175.49 1dgq h THR 164 N 3.47 0.37 -0.54 -5.21 2.02 -1.99 -0.49 112.91 110.53 1dgq h THR 164 Ca -0.29 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.99 1dgq h THR 164 Cb 1.17 0.43 -0.08 0.00 -1.74 0.00 0.00 68.15 67.93 1dgq h THR 164 CO 0.40 0.00 0.10 0.77 0.37 0.00 0.00 175.52 177.16 1dgq h SER 165 N 0.00 -0.02 -3.33 4.18 4.64 -1.93 -3.35 113.55 113.74 1dgq h SER 165 Ca 0.47 0.10 -0.73 0.00 -0.47 0.00 0.00 61.79 61.16 1dgq h SER 165 Cb 2.05 0.14 -0.22 0.00 -0.31 0.00 0.00 62.40 64.06 1dgq h SER 165 CO -0.00 0.01 -0.29 -0.31 -0.87 0.00 0.00 176.83 175.37 1dgq s TYR 166 N -6.13 3.21 -0.03 4.77 1.51 -0.19 -0.77 117.35 119.72 1dgq s TYR 166 Ca -0.13 -0.81 -0.22 0.00 -1.01 0.00 0.00 57.07 54.90 1dgq s TYR 166 Cb 0.16 -3.13 -0.05 0.00 -0.11 0.00 0.00 41.96 38.84 1dgq s TYR 166 CO 0.73 -0.80 0.66 -0.65 -1.11 0.00 0.00 175.55 174.39 1dgq s GLN 167 N 1.80 4.40 0.17 -0.62 -0.21 0.43 -4.59 119.66 121.05 1dgq s GLN 167 Ca 0.06 0.84 0.09 0.00 0.02 0.00 0.00 55.36 56.37 1dgq s GLN 167 Cb -0.23 -3.40 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 1dgq s GLN 167 CO 0.08 0.21 -0.12 -0.06 -2.12 0.00 0.00 175.29 173.29 1dgq s PHE 168 N 0.29 2.60 0.05 0.91 0.40 -1.26 -0.58 117.98 120.40 1dgq s PHE 168 Ca 0.35 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.44 1dgq s PHE 168 Cb -0.18 -1.28 -0.04 0.00 0.51 0.00 0.00 43.02 42.03 1dgq s PHE 168 CO 0.18 0.50 -0.04 0.00 0.70 0.00 0.00 175.22 176.56 1dgq s ALA 169 N -1.64 0.55 -0.02 5.36 0.00 -0.41 -3.20 121.76 122.40 1dgq s ALA 169 Ca 0.24 -1.08 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 1dgq s ALA 169 Cb -0.09 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.26 1dgq s ALA 169 CO 0.14 -0.27 0.03 0.00 0.00 0.00 0.00 175.76 175.66 1dgq s ALA 170 N -3.15 0.15 -0.27 0.00 0.00 -0.00 -0.60 121.76 117.89 1dgq s ALA 170 Ca 0.02 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.23 1dgq s ALA 170 Cb 0.02 -0.31 0.04 0.00 0.00 0.00 0.00 23.12 22.87 1dgq s ALA 170 CO -0.06 -0.15 -0.03 0.08 0.00 0.00 0.00 175.76 175.59 1dgq s VAL 171 N 1.21 2.89 0.37 0.00 1.01 0.31 -0.20 120.40 125.99 1dgq s VAL 171 Ca -0.07 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 60.42 1dgq s VAL 171 Cb -0.13 -2.58 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 1dgq s VAL 171 CO -0.03 0.04 1.11 -1.58 0.00 0.00 0.00 175.10 174.64 1dgq s GLN 172 N 1.28 4.22 0.05 2.72 0.74 0.38 -0.76 119.66 128.28 1dgq s GLN 172 Ca -0.03 1.72 -0.01 0.00 0.05 0.00 0.00 55.36 57.09 1dgq s GLN 172 Cb -0.18 -2.74 -0.04 0.00 1.10 0.00 0.00 33.01 31.15 1dgq s GLN 172 CO -0.03 -0.14 -0.03 -0.59 -0.55 0.00 0.00 175.29 173.94 1dgq s PHE 173 N -1.44 0.54 0.00 1.67 -0.71 0.19 -0.17 117.98 118.06 1dgq s PHE 173 Ca 0.55 -1.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.38 1dgq s PHE 173 Cb -0.28 -0.40 0.00 0.00 -1.21 0.00 0.00 43.02 41.13 1dgq s PHE 173 CO 0.35 -0.36 0.00 0.43 -1.34 0.00 0.00 175.22 174.30 1dgq n SER 174 N 0.11 0.02 -0.31 1.98 7.64 -1.26 -0.65 113.62 121.16 1dgq n SER 174 Ca -0.14 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.84 1dgq n SER 174 Cb 0.61 0.00 0.27 0.00 -1.01 0.00 0.00 64.21 64.08 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 0.65 -2.00 0.44 2.02 -1.82 0.17 112.91 112.37 1dgq h THR 175 Ca 0.00 -0.20 -0.49 0.00 0.77 0.00 0.00 66.41 66.48 1dgq h THR 175 Cb 0.00 0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 66.38 1dgq h THR 175 CO 0.00 0.11 -0.47 -0.94 0.37 0.00 0.00 175.52 174.58 1dgq s SER 176 N -5.35 5.45 0.04 4.18 1.04 -1.26 -4.46 113.70 113.35 1dgq s SER 176 Ca -0.12 -0.36 0.01 0.00 0.48 0.00 0.00 55.95 55.96 1dgq s SER 176 Cb 0.23 -1.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.12 1dgq s SER 176 CO 0.78 -0.22 0.11 -0.72 0.98 0.00 0.00 173.24 174.17 1dgq s TYR 177 N -2.22 3.31 -0.29 5.02 -0.85 -1.26 -4.38 117.35 116.68 1dgq s TYR 177 Ca 0.38 0.17 -0.01 0.00 -0.52 0.00 0.00 57.07 57.09 1dgq s TYR 177 Cb -0.07 -1.70 0.13 0.00 0.38 0.00 0.00 41.96 40.70 1dgq s TYR 177 CO 0.26 0.55 0.26 0.21 -1.52 0.00 0.00 175.55 175.31 1dgq s LYS 178 N -2.15 0.29 -0.32 -3.49 2.20 0.76 -4.98 119.74 112.04 1dgq s LYS 178 Ca 0.28 -0.21 -0.29 0.00 -0.36 0.00 0.00 55.97 55.39 1dgq s LYS 178 Cb -0.12 -0.77 -0.07 0.00 -1.51 0.00 0.00 37.83 35.35 1dgq s LYS 178 CO 0.20 -1.01 2.27 2.41 -0.36 0.00 0.00 175.35 178.86 1dgq n THR 179 N 5.30 0.22 -0.04 3.43 -1.04 -1.26 -0.47 114.28 120.42 1dgq n THR 179 Ca -0.03 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.05 61.36 1dgq n THR 179 Cb 0.46 -2.39 -0.09 0.00 -1.82 0.00 0.00 70.33 66.49 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 15.43 0.20 -2.73 -2.82 4.39 -0.94 -3.48 114.58 124.64 1dgq h GLU 180 Ca -0.34 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 1dgq h GLU 180 Cb 1.26 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 29.78 1dgq h GLU 180 CO 1.02 0.69 0.16 -0.59 -1.16 0.00 0.00 179.01 179.13 1dgq s PHE 181 N -4.06 -0.53 0.53 4.33 -0.12 -1.07 -4.80 117.98 112.26 1dgq s PHE 181 Ca -0.15 0.53 0.02 0.00 -0.05 0.00 0.00 56.93 57.29 1dgq s PHE 181 Cb 0.03 0.47 0.01 0.00 -0.63 0.00 0.00 43.02 42.90 1dgq s PHE 181 CO 0.72 -0.74 0.16 0.34 -0.05 0.00 0.00 175.22 175.65 1dgq s ASP 182 N -2.22 4.33 0.13 1.98 -1.08 -1.26 -0.82 116.67 117.73 1dgq s ASP 182 Ca -0.03 -1.52 -0.24 0.00 -0.52 0.00 0.00 52.55 50.24 1dgq s ASP 182 Cb -0.01 0.54 -0.04 0.00 -1.46 0.00 0.00 42.92 41.96 1dgq s ASP 182 CO -0.05 -0.97 1.64 -0.26 0.52 0.00 0.00 175.17 176.05 1dgq h PHE 183 N 1.10 -0.59 -0.56 -5.34 0.04 -1.52 -0.50 116.94 109.56 1dgq h PHE 183 Ca -0.41 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.50 1dgq h PHE 183 Cb 1.31 0.27 -0.11 0.00 2.20 0.00 0.00 35.95 39.63 1dgq h PHE 183 CO 1.36 -0.31 -0.12 0.66 -0.60 0.00 0.00 178.31 179.30 1dgq h SER 184 N -0.32 -0.49 -0.06 2.17 4.64 -0.95 0.18 113.55 118.72 1dgq h SER 184 Ca 0.08 0.17 0.03 0.00 -0.47 0.00 0.00 61.79 61.60 1dgq h SER 184 Cb 0.43 0.34 -0.04 0.00 -0.31 0.00 0.00 62.40 62.82 1dgq h SER 184 CO -0.24 -0.18 -0.17 0.44 -0.87 0.00 0.00 176.83 175.81 1dgq h ASP 185 N 0.01 -0.50 -0.27 4.97 3.32 -1.60 0.14 116.42 122.48 1dgq h ASP 185 Ca 0.27 0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.46 1dgq h ASP 185 Cb 0.42 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 40.14 1dgq h ASP 185 CO -0.57 -0.22 -0.07 0.22 -1.72 0.00 0.00 179.24 176.88 1dgq h TYR 186 N -0.24 -0.16 -0.86 4.55 3.20 -0.18 0.58 116.97 123.85 1dgq h TYR 186 Ca 0.07 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.05 1dgq h TYR 186 Cb 0.35 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 1dgq h TYR 186 CO -0.25 -0.13 0.52 0.28 -1.64 0.00 0.00 178.16 176.94 1dgq h VAL 187 N -0.01 0.96 0.48 1.81 2.07 -0.11 0.35 116.25 121.80 1dgq h VAL 187 Ca 0.13 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1dgq h VAL 187 Cb 0.21 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1dgq h VAL 187 CO -0.28 0.16 -0.23 0.50 0.02 0.00 0.00 177.57 177.74 1dgq h LYS 188 N 0.89 -0.62 0.10 1.57 3.64 -0.11 -3.39 116.57 118.65 1dgq h LYS 188 Ca 0.40 0.04 -0.34 0.00 -1.27 0.00 0.00 60.65 59.48 1dgq h LYS 188 Cb 0.31 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 1dgq h LYS 188 CO -0.22 -0.33 -1.87 -1.49 -2.27 0.00 0.00 179.45 173.27 1dgq h TRP 189 N -1.05 0.38 -6.69 1.91 4.06 -0.75 -3.49 115.95 110.33 1dgq h TRP 189 Ca -0.07 -0.28 -0.54 0.00 2.06 0.00 0.00 58.89 60.07 1dgq h TRP 189 Cb 0.58 -0.02 -0.16 0.00 -1.00 0.00 0.00 29.16 28.57 1dgq h TRP 189 CO 0.01 1.55 -0.86 1.63 -3.56 0.00 0.00 178.44 177.22 1dgq n LYS 190 N -3.38 -3.10 -3.57 0.49 5.02 0.12 -4.97 118.16 108.77 1dgq n LYS 190 Ca -0.26 0.37 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 1dgq n LYS 190 Cb 1.05 -4.84 -0.12 0.00 -0.02 0.00 0.00 35.03 31.10 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 -3.69 0.57 0.19 4.39 -1.08 -1.26 -5.05 116.67 110.74 1dgq s ASP 191 Ca 0.47 0.34 -0.12 0.00 -0.52 0.00 0.00 52.55 52.72 1dgq s ASP 191 Cb -0.26 0.72 0.11 0.00 -1.46 0.00 0.00 42.92 42.03 1dgq s ASP 191 CO 0.92 -0.27 1.84 1.55 0.52 0.00 0.00 175.17 179.73 1dgq h PRO 192 N 8.27 0.86 -0.85 4.34 0.13 -1.93 -0.66 132.00 142.17 1dgq h PRO 192 Ca -0.16 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.91 1dgq h PRO 192 Cb 1.13 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 1dgq h PRO 192 CO 0.19 0.60 0.56 -0.44 -0.23 0.00 0.00 178.00 178.69 1dgq h ASP 193 N 0.87 0.97 0.35 1.44 5.19 -1.97 0.23 116.42 123.51 1dgq h ASP 193 Ca 0.23 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 1dgq h ASP 193 Cb -0.05 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.22 1dgq h ASP 193 CO -0.05 0.70 -0.17 0.00 -3.12 0.00 0.00 179.24 176.60 1dgq h ALA 194 N 1.32 -0.47 -0.66 3.45 0.00 -1.91 -2.98 119.26 118.01 1dgq h ALA 194 Ca 0.31 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1dgq h ALA 194 Cb -0.12 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1dgq h ALA 194 CO -0.07 -0.70 0.43 -0.07 0.00 0.00 0.00 179.25 178.84 1dgq h LEU 195 N -0.60 0.66 -0.24 0.00 3.38 -0.30 -1.08 115.31 117.12 1dgq h LEU 195 Ca -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dgq h LEU 195 Cb 0.44 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1dgq h LEU 195 CO 0.08 0.45 -0.02 0.18 0.09 0.00 0.00 178.44 179.21 1dgq n LEU 196 N -4.46 0.39 0.16 1.67 4.77 0.75 -4.10 117.00 116.17 1dgq n LEU 196 Ca 0.08 -0.06 0.17 0.00 -0.03 0.00 0.00 56.01 56.17 1dgq n LEU 196 Cb 0.15 -0.07 0.76 0.00 -2.33 0.00 0.00 43.42 41.94 1dgq n LEU 196 CO 0.35 0.07 1.15 0.07 -1.33 0.00 0.00 177.39 177.69 1dgq h LYS 197 N 0.57 0.00 0.00 3.23 2.10 -1.03 -0.33 116.57 121.11 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 0.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.53 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 -2.26 0.07 2.76 -1.80 -3.45 115.15 110.47 1dgq h HIS 198 Ca 0.12 0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.72 1dgq h HIS 198 Cb 0.56 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.52 1dgq h HIS 198 CO 0.00 0.00 1.35 0.08 -1.30 0.00 0.00 177.93 178.06 1dgq s VAL 199 N -3.54 3.15 -0.24 5.26 1.01 -0.14 -4.96 120.40 120.94 1dgq s VAL 199 Ca 0.02 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.18 1dgq s VAL 199 Cb 0.09 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.36 1dgq s VAL 199 CO 0.43 -0.08 -0.12 -0.54 0.00 0.00 0.00 175.10 174.78 1dgq s LYS 200 N 5.55 2.32 -0.15 2.72 1.02 -1.26 -5.09 119.74 124.85 1dgq s LYS 200 Ca 0.91 -1.20 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 1dgq s LYS 200 Cb -0.34 -2.78 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 1dgq s LYS 200 CO 0.36 -0.50 1.99 -1.58 -0.92 0.00 0.00 175.35 174.70 1dgq s HIS 201 N 1.17 1.45 0.04 3.18 2.46 -1.26 -4.89 115.29 117.43 1dgq s HIS 201 Ca -0.06 0.25 -0.20 0.00 0.47 0.00 0.00 55.06 55.53 1dgq s HIS 201 Cb -0.18 -4.05 -0.16 0.00 -0.13 0.00 0.00 32.58 28.06 1dgq s HIS 201 CO -0.07 -4.19 1.28 0.52 -2.47 0.00 0.00 174.74 169.81 1dgq h MET 202 N 12.68 0.41 -5.23 2.88 0.00 -1.94 -3.48 114.93 120.25 1dgq h MET 202 Ca -0.41 -0.27 -0.28 0.00 0.00 0.00 0.00 59.70 58.74 1dgq h MET 202 Cb 1.21 0.04 0.16 0.00 0.00 0.00 0.00 31.60 33.01 1dgq h MET 202 CO 0.97 0.87 -0.70 1.28 0.00 0.00 0.00 176.91 179.33 1dgq n LEU 203 N -4.43 -4.14 0.00 1.22 4.77 0.56 -4.92 117.00 110.06 1dgq n LEU 203 Ca -0.07 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 1dgq n LEU 203 Cb 0.46 -2.86 0.00 0.00 -2.33 0.00 0.00 43.42 38.69 1dgq n LEU 203 CO 0.42 0.28 0.00 0.18 -1.33 0.00 0.00 177.39 176.94 1dgq n LEU 204 N -3.61 0.00 0.00 2.23 4.77 -1.26 -3.97 117.00 115.16 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 0.54 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.78 1dgq n LEU 205 N 0.00 0.00 -3.03 2.23 4.77 -1.26 -0.99 117.00 118.72 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 -1.94 -5.08 -1.04 -1.25 -3.24 114.28 101.22 1dgq n THR 206 Ca 0.00 -2.29 -0.41 0.00 -2.04 0.00 0.00 64.05 59.31 1dgq n THR 206 Cb 0.00 -0.21 -0.01 0.00 -1.82 0.00 0.00 70.33 68.29 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 2.50 7.09 -0.24 8.00 5.15 0.59 -0.26 115.26 138.09 1dgq n ASN 207 Ca 0.21 -3.01 -0.05 0.00 -0.60 0.00 0.00 54.58 51.13 1dgq n ASN 207 Cb 0.54 -1.45 0.05 0.00 -0.53 0.00 0.00 39.78 38.39 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 3.08 1.16 0.05 -0.44 2.02 -1.91 -0.02 112.91 116.86 1dgq h THR 208 Ca 0.64 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 67.51 1dgq h THR 208 Cb 0.41 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 1dgq h THR 208 CO 1.61 0.17 -0.03 -0.26 0.37 0.00 0.00 175.52 177.38 1dgq h PHE 209 N 0.90 -0.07 -0.95 3.16 -1.00 -1.87 0.29 116.94 117.41 1dgq h PHE 209 Ca 0.25 -0.00 0.03 0.00 2.81 0.00 0.00 57.97 61.06 1dgq h PHE 209 Cb -0.09 0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.44 1dgq h PHE 209 CO -0.03 0.26 0.62 0.78 -1.61 0.00 0.00 178.31 178.33 1dgq h GLY 210 N -0.40 1.38 1.22 -1.45 0.00 -1.79 0.03 103.07 102.07 1dgq h GLY 210 Ca -0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 1dgq h GLY 210 CO 0.01 0.42 -0.04 0.00 0.00 0.00 0.00 176.54 176.93 1dgq h ALA 211 N 1.38 0.93 -0.08 3.60 0.00 -0.67 0.95 119.26 125.36 1dgq h ALA 211 Ca 0.37 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1dgq h ALA 211 Cb -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1dgq h ALA 211 CO -0.11 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.64 1dgq h ILE 212 N 0.85 1.05 -0.32 0.00 2.04 0.24 0.40 117.51 121.77 1dgq h ILE 212 Ca 0.15 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.89 1dgq h ILE 212 Cb 0.56 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.61 1dgq h ILE 212 CO 0.03 0.05 0.16 0.78 0.00 0.00 0.00 178.15 179.17 1dgq h ASN 213 N 0.07 0.23 -0.09 1.72 2.35 -0.70 0.94 115.58 120.11 1dgq h ASN 213 Ca 0.03 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.84 1dgq h ASN 213 Cb 0.03 -0.03 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 1dgq h ASN 213 CO -0.01 0.18 -0.32 0.22 -1.65 0.00 0.00 177.43 175.85 1dgq h TYR 214 N 0.33 -0.89 -0.11 1.19 3.20 -0.60 -1.65 116.97 118.45 1dgq h TYR 214 Ca 0.13 0.04 0.04 0.00 3.14 0.00 0.00 58.73 62.08 1dgq h TYR 214 Cb 0.05 0.41 -0.05 0.00 1.54 0.00 0.00 36.73 38.67 1dgq h TYR 214 CO -0.10 -0.40 -0.21 0.28 -1.64 0.00 0.00 178.16 176.09 1dgq h VAL 215 N -0.42 0.48 -0.68 1.81 2.07 -0.60 0.23 116.25 119.15 1dgq h VAL 215 Ca 0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.75 1dgq h VAL 215 Cb 0.55 0.48 -0.11 0.00 -1.52 0.00 0.00 31.29 30.70 1dgq h VAL 215 CO -0.33 0.00 0.08 0.00 0.02 0.00 0.00 177.57 177.34 1dgq h ALA 216 N 0.69 0.78 0.04 1.67 0.00 -0.33 -0.82 119.26 121.29 1dgq h ALA 216 Ca 0.09 0.18 -0.36 0.00 0.00 0.00 0.00 54.91 54.83 1dgq h ALA 216 Cb 0.41 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1dgq h ALA 216 CO -0.27 -0.37 -2.04 0.25 0.00 0.00 0.00 179.25 176.82 1dgq n THR 217 N -5.23 1.61 -0.11 0.00 -2.24 -0.66 -4.31 114.28 103.34 1dgq n THR 217 Ca 0.12 -0.43 -0.25 0.00 -2.27 0.00 0.00 64.05 61.22 1dgq n THR 217 Cb 0.41 -1.76 -0.11 0.00 -2.10 0.00 0.00 70.33 66.77 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 -3.80 0.60 -0.03 -0.78 -0.58 0.80 -4.61 120.64 112.24 1dgq n GLU 218 Ca -0.40 0.39 -0.15 0.00 -0.42 0.00 0.00 57.16 56.58 1dgq n GLU 218 Cb 0.92 -1.63 -0.12 0.00 -0.57 0.00 0.00 31.44 30.04 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 -0.81 1.58 -0.06 2.62 2.07 -1.32 -3.36 116.25 116.97 1dgq h VAL 219 Ca -0.51 -2.01 -0.64 0.00 0.82 0.00 0.00 66.70 64.36 1dgq h VAL 219 Cb 1.55 2.87 0.02 0.00 -1.52 0.00 0.00 31.29 34.21 1dgq h VAL 219 CO -0.25 0.54 2.39 0.49 0.02 0.00 0.00 177.57 180.76 1dgq n PHE 220 N -4.52 2.36 -4.30 1.57 3.72 -0.39 -4.71 117.46 111.20 1dgq n PHE 220 Ca -0.10 -2.06 -0.18 0.00 -0.05 0.00 0.00 57.45 55.06 1dgq n PHE 220 Cb 0.50 -1.98 -0.15 0.00 -0.94 0.00 0.00 39.48 36.92 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 4.70 0.69 0.22 -1.08 0.52 -1.26 -4.83 118.95 117.92 1dgq s ARG 221 Ca 0.56 -0.26 -0.08 0.00 -0.52 0.00 0.00 55.73 55.43 1dgq s ARG 221 Cb 0.13 -0.67 0.35 0.00 0.52 0.00 0.00 34.95 35.28 1dgq s ARG 221 CO 0.07 0.13 1.72 0.93 0.02 0.00 0.00 175.30 178.17 1dgq h GLU 222 N 6.14 0.33 -0.84 3.54 3.07 -1.88 0.11 114.58 125.04 1dgq h GLU 222 Ca -0.31 -0.02 0.16 0.00 -0.50 0.00 0.00 59.36 58.69 1dgq h GLU 222 Cb 1.18 -0.07 -0.06 0.00 -0.84 0.00 0.00 28.75 28.95 1dgq h GLU 222 CO 0.49 0.22 0.55 1.05 -1.40 0.00 0.00 179.01 179.92 1dgq h GLU 223 N 0.34 0.50 -0.01 2.33 4.11 -1.96 0.20 114.58 120.08 1dgq h GLU 223 Ca 0.35 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.75 1dgq h GLU 223 Cb 0.52 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.65 1dgq h GLU 223 CO -0.40 0.33 -0.03 1.28 0.07 0.00 0.00 179.01 180.26 1dgq n LEU 224 N -4.52 1.49 0.00 3.06 4.77 -0.26 -4.92 117.00 116.62 1dgq n LEU 224 Ca 0.17 -0.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1dgq n LEU 224 Cb 0.55 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1dgq n LEU 224 CO 0.31 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 1dgq n GLY 225 N 1.20 1.27 3.55 -0.72 0.00 0.70 -0.36 105.19 110.83 1dgq n GLY 225 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 2.72 0.17 4.61 0.00 -0.14 -4.60 121.76 122.53 1dgq s ALA 226 Ca 0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 51.96 50.20 1dgq s ALA 226 Cb 0.00 -4.30 -0.09 0.00 0.00 0.00 0.00 23.12 18.74 1dgq s ALA 226 CO 0.00 -3.35 1.41 1.03 0.00 0.00 0.00 175.76 174.85 1dgq s ARG 227 N 5.69 4.31 0.32 0.00 0.52 -1.26 -3.44 118.95 125.09 1dgq s ARG 227 Ca 0.37 2.17 0.01 0.00 -0.52 0.00 0.00 55.73 57.77 1dgq s ARG 227 Cb -0.07 -3.19 0.53 0.00 0.52 0.00 0.00 34.95 32.74 1dgq s ARG 227 CO 0.12 -0.42 1.90 -1.00 0.02 0.00 0.00 175.30 175.92 1dgq h PRO 228 N 6.09 0.74 0.00 3.54 0.13 -1.99 -0.93 132.00 139.58 1dgq h PRO 228 Ca -0.44 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1dgq h PRO 228 Cb 1.21 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1dgq h PRO 228 CO 0.83 0.63 0.00 -0.40 -0.23 0.00 0.00 178.00 178.83 1dgq n ASP 229 N -4.33 0.00 -4.77 1.44 5.75 -1.26 -4.82 116.55 108.56 1dgq n ASP 229 Ca 0.04 -0.86 -0.38 0.00 -0.01 0.00 0.00 54.79 53.58 1dgq n ASP 229 Cb 0.17 -0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.18 1dgq n ASP 229 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dgq s ALA 230 N -2.08 3.21 0.02 2.12 0.00 -0.35 -4.76 121.76 119.91 1dgq s ALA 230 Ca 0.44 0.78 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 1dgq s ALA 230 Cb 0.21 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.96 1dgq s ALA 230 CO 0.38 -0.20 1.87 0.99 0.00 0.00 0.00 175.76 178.80 1dgq s THR 231 N -1.46 3.13 -1.35 0.00 2.01 0.20 -4.66 115.64 113.53 1dgq s THR 231 Ca 0.53 0.22 -0.16 0.00 0.31 0.00 0.00 61.69 62.58 1dgq s THR 231 Cb -0.26 -3.14 0.07 0.00 0.01 0.00 0.00 72.50 69.18 1dgq s THR 231 CO 0.33 -0.02 1.89 0.29 -0.69 0.00 0.00 174.62 176.42 1dgq n LYS 232 N 7.24 3.12 -3.52 4.92 4.76 -1.26 -0.59 118.16 132.83 1dgq n LYS 232 Ca 0.19 -3.11 -0.37 0.00 -2.87 0.00 0.00 58.31 52.15 1dgq n LYS 232 Cb 0.41 -3.36 -0.07 0.00 -1.84 0.00 0.00 35.03 30.17 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 3.44 5.29 -0.37 -0.18 1.01 0.28 -0.71 120.40 129.16 1dgq s VAL 233 Ca 0.50 0.54 0.03 0.00 0.00 0.00 0.00 61.98 63.05 1dgq s VAL 233 Cb 0.07 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.92 1dgq s VAL 233 CO 0.01 0.36 0.10 -0.22 0.00 0.00 0.00 175.10 175.35 1dgq s LEU 234 N 0.70 4.15 -0.58 3.92 2.96 0.32 -0.66 118.68 129.49 1dgq s LEU 234 Ca 0.16 -2.23 -0.21 0.00 -0.22 0.00 0.00 54.13 51.63 1dgq s LEU 234 Cb -0.13 -1.47 0.07 0.00 0.50 0.00 0.00 46.19 45.16 1dgq s LEU 234 CO 0.05 -0.36 0.78 -0.63 -1.32 0.00 0.00 176.35 174.87 1dgq s ILE 235 N 0.81 4.65 -0.20 6.68 1.01 0.52 -0.52 121.20 134.14 1dgq s ILE 235 Ca 0.12 -0.50 -0.29 0.00 0.00 0.00 0.00 60.65 59.98 1dgq s ILE 235 Cb -0.20 -4.49 0.00 0.00 0.01 0.00 0.00 42.46 37.78 1dgq s ILE 235 CO -0.09 -1.12 1.02 -0.63 0.00 0.00 0.00 174.94 174.12 1dgq s ILE 236 N 3.20 4.71 -0.29 2.92 1.01 0.58 -0.55 121.20 132.79 1dgq s ILE 236 Ca 0.18 2.01 -0.03 0.00 0.00 0.00 0.00 60.65 62.81 1dgq s ILE 236 Cb -0.19 -4.30 0.04 0.00 0.01 0.00 0.00 42.46 38.02 1dgq s ILE 236 CO 0.11 -0.13 0.01 -0.63 0.00 0.00 0.00 174.94 174.29 1dgq s ILE 237 N 2.90 3.16 -0.07 2.92 1.01 0.16 -0.64 121.20 130.63 1dgq s ILE 237 Ca 0.44 -1.22 -0.09 0.00 0.00 0.00 0.00 60.65 59.79 1dgq s ILE 237 Cb -0.16 -2.75 0.02 0.00 0.01 0.00 0.00 42.46 39.58 1dgq s ILE 237 CO 0.09 -0.04 0.24 0.28 0.00 0.00 0.00 174.94 175.51 1dgq s THR 238 N 1.31 0.02 -0.94 2.92 -1.32 -0.59 -0.29 115.64 116.74 1dgq s THR 238 Ca -0.03 -0.13 0.23 0.00 -1.21 0.00 0.00 61.69 60.55 1dgq s THR 238 Cb -0.19 -0.39 -0.11 0.00 -1.51 0.00 0.00 72.50 70.30 1dgq s THR 238 CO -0.01 -0.07 1.14 -0.90 -2.21 0.00 0.00 174.62 172.57 1dgq n ASP 239 N 2.61 0.73 -4.31 8.08 5.75 -1.26 -0.63 116.55 127.51 1dgq n ASP 239 Ca -0.15 -0.57 -0.31 0.00 -0.01 0.00 0.00 54.79 53.76 1dgq n ASP 239 Cb 0.58 0.66 -0.16 0.00 -1.03 0.00 0.00 41.12 41.17 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 -3.09 1.27 0.79 6.12 0.00 -1.26 -1.77 107.32 109.37 1dgq s GLY 240 Ca 0.09 -1.12 -0.14 0.00 0.00 0.00 0.00 44.72 43.54 1dgq s GLY 240 CO 0.79 -0.95 0.87 1.18 0.00 0.00 0.00 173.10 174.99 1dgq n GLU 241 N 2.36 0.20 -2.07 2.90 1.02 -1.26 -4.88 120.64 118.91 1dgq n GLU 241 Ca -0.16 0.13 -0.35 0.00 -0.02 0.00 0.00 57.16 56.76 1dgq n GLU 241 Cb 0.51 -2.16 -0.04 0.00 -0.02 0.00 0.00 31.44 29.74 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 -2.05 2.05 0.56 0.62 0.00 -1.26 -4.72 121.76 116.95 1dgq s ALA 242 Ca 0.69 -0.97 0.33 0.00 0.00 0.00 0.00 51.96 52.01 1dgq s ALA 242 Cb -0.30 -4.38 1.90 0.00 0.00 0.00 0.00 23.12 20.33 1dgq s ALA 242 CO 0.55 -4.15 2.24 1.79 0.00 0.00 0.00 175.76 176.19 1dgq h THR 243 N 6.97 0.38 0.00 0.00 1.35 -0.97 -3.18 112.91 117.45 1dgq h THR 243 Ca -0.14 -0.13 -0.03 0.00 -0.55 0.00 0.00 66.41 65.56 1dgq h THR 243 Cb 1.11 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.61 1dgq h THR 243 CO 1.22 0.02 -0.34 -0.78 -0.25 0.00 0.00 175.52 175.40 1dgq h ASP 244 N 0.00 0.00 -6.42 5.36 3.58 -1.89 -3.49 116.42 113.56 1dgq h ASP 244 Ca -0.00 -0.16 -0.50 0.00 0.42 0.00 0.00 57.03 56.79 1dgq h ASP 244 Cb 0.09 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.05 1dgq h ASP 244 CO 0.00 0.76 -0.78 -1.20 -2.88 0.00 0.00 179.24 175.15 1dgq n SER 245 N -4.66 -4.41 0.00 2.28 7.64 -1.20 -4.96 113.62 108.30 1dgq n SER 245 Ca -0.07 -0.84 0.00 0.00 1.01 0.00 0.00 58.87 58.97 1dgq n SER 245 Cb 0.23 -3.59 0.00 0.00 -1.01 0.00 0.00 64.21 59.84 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 -1.62 0.92 3.48 0.23 0.00 -1.26 -5.06 105.19 101.88 1dgq n GLY 246 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.19 -0.08 0.00 1.61 2.20 -1.26 -5.07 114.94 111.15 1dgq s ASN 247 Ca 0.00 -0.81 0.09 0.00 -0.94 0.00 0.00 52.86 51.20 1dgq s ASN 247 Cb 0.00 0.53 0.15 0.00 -2.00 0.00 0.00 41.25 39.93 1dgq s ASN 247 CO 0.00 -1.03 1.01 2.30 -2.94 0.00 0.00 177.10 176.45 1dgq n ILE 248 N -0.31 0.00 -0.30 0.54 -5.35 -1.26 -4.63 119.36 108.04 1dgq n ILE 248 Ca -0.06 -0.36 0.05 0.00 -0.27 0.00 0.00 62.75 62.11 1dgq n ILE 248 Cb 0.62 0.63 0.19 0.00 -1.74 0.00 0.00 39.64 39.35 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 0.36 0.68 -1.35 7.28 3.58 -1.98 0.82 116.42 125.80 1dgq h ASP 249 Ca -0.12 0.06 0.40 0.00 0.42 0.00 0.00 57.03 57.79 1dgq h ASP 249 Cb 1.54 -0.07 -0.09 0.00 1.72 0.00 0.00 39.33 42.44 1dgq h ASP 249 CO 0.02 0.36 0.93 0.00 -2.88 0.00 0.00 179.24 177.67 1dgq h ALA 250 N 1.49 2.99 -0.41 -0.78 0.00 -1.96 -0.17 119.26 120.42 1dgq h ALA 250 Ca 0.43 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1dgq h ALA 250 Cb 0.45 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dgq h ALA 250 CO -0.28 -1.47 0.00 0.00 0.00 0.00 0.00 179.25 177.50 1dgq n ALA 251 N -2.67 2.30 -0.30 0.00 0.00 0.26 -4.74 120.51 115.35 1dgq n ALA 251 Ca 0.33 -1.27 0.17 0.00 0.00 0.00 0.00 53.44 52.67 1dgq n ALA 251 Cb 1.38 -0.55 0.43 0.00 0.00 0.00 0.00 19.45 20.72 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 2.42 0.54 0.00 0.00 2.10 -0.81 0.73 116.57 121.55 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 0.85 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1dgq h LYS 252 CO 0.03 0.36 -0.41 -0.25 -2.00 0.00 0.00 179.45 177.17 1dgq n ASP 253 N -4.63 0.68 -4.82 7.07 8.00 -1.26 -4.87 116.55 116.72 1dgq n ASP 253 Ca 0.22 0.24 -0.36 0.00 0.71 0.00 0.00 54.79 55.60 1dgq n ASP 253 Cb 0.68 -0.13 -0.06 0.00 -0.02 0.00 0.00 41.12 41.59 1dgq n ASP 253 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1dgq s ILE 254 N -3.12 4.58 -0.98 0.53 1.01 0.25 -4.95 121.20 118.51 1dgq s ILE 254 Ca 0.08 1.25 -0.22 0.00 0.00 0.00 0.00 60.65 61.76 1dgq s ILE 254 Cb 0.14 -3.84 0.06 0.00 0.01 0.00 0.00 42.46 38.83 1dgq s ILE 254 CO 0.67 0.18 1.38 -0.63 0.00 0.00 0.00 174.94 176.54 1dgq s ILE 255 N -1.55 4.06 -0.97 2.92 -1.09 0.12 -4.76 121.20 119.92 1dgq s ILE 255 Ca 0.44 -0.83 -0.24 0.00 -2.23 0.00 0.00 60.65 57.78 1dgq s ILE 255 Cb -0.16 -5.00 -0.06 0.00 -1.58 0.00 0.00 42.46 35.66 1dgq s ILE 255 CO 0.21 -1.85 1.97 -0.13 -1.23 0.00 0.00 174.94 173.90 1dgq s ARG 256 N 4.61 2.47 0.19 2.79 3.00 -1.26 -0.52 118.95 130.24 1dgq s ARG 256 Ca 0.43 -0.48 -0.30 0.00 0.00 0.00 0.00 55.73 55.38 1dgq s ARG 256 Cb -0.02 -5.09 -0.08 0.00 0.00 0.00 0.00 34.95 29.76 1dgq s ARG 256 CO -0.08 -3.62 0.97 -0.47 0.00 0.00 0.00 175.30 172.11 1dgq s TYR 257 N 10.65 3.86 -0.04 -0.53 6.14 0.32 -1.33 117.35 136.43 1dgq s TYR 257 Ca 0.71 1.83 0.00 0.00 0.64 0.00 0.00 57.07 60.26 1dgq s TYR 257 Cb -0.05 -3.06 0.03 0.00 0.42 0.00 0.00 41.96 39.30 1dgq s TYR 257 CO 0.03 0.20 -0.01 -1.50 0.64 0.00 0.00 175.55 174.91 1dgq s ILE 258 N -0.70 0.29 -0.37 3.14 2.07 0.24 -0.31 121.20 125.57 1dgq s ILE 258 Ca 0.44 0.04 -0.11 0.00 -1.41 0.00 0.00 60.65 59.61 1dgq s ILE 258 Cb -0.26 -0.37 0.03 0.00 0.13 0.00 0.00 42.46 41.99 1dgq s ILE 258 CO 0.32 0.18 0.20 -0.63 -1.91 0.00 0.00 174.94 173.10 1dgq s ILE 259 N 1.08 4.53 -0.56 2.00 1.01 0.18 -0.59 121.20 128.85 1dgq s ILE 259 Ca -0.09 -0.86 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 1dgq s ILE 259 Cb -0.14 -3.52 0.09 0.00 0.01 0.00 0.00 42.46 38.91 1dgq s ILE 259 CO -0.01 -0.22 0.66 -0.83 0.00 0.00 0.00 174.94 174.53 1dgq s GLY 260 N 1.55 1.81 0.28 6.18 0.00 0.15 -1.55 107.32 115.73 1dgq s GLY 260 Ca 0.02 -2.14 -0.29 0.00 0.00 0.00 0.00 44.72 42.31 1dgq s GLY 260 CO 0.06 1.51 1.29 -0.42 0.00 0.00 0.00 173.10 175.54 1dgq s ILE 261 N 2.55 2.98 0.00 0.90 -1.09 0.19 -0.62 121.20 126.12 1dgq s ILE 261 Ca 0.11 0.91 -0.03 0.00 -2.23 0.00 0.00 60.65 59.41 1dgq s ILE 261 Cb -0.23 -3.58 -0.15 0.00 -1.58 0.00 0.00 42.46 36.91 1dgq s ILE 261 CO 0.07 0.19 2.68 0.61 -1.23 0.00 0.00 174.94 177.26 1dgq n GLY 262 N 1.45 2.54 0.05 6.18 0.00 0.71 -2.76 105.19 113.36 1dgq n GLY 262 Ca 0.02 -0.68 -0.02 0.00 0.00 0.00 0.00 46.02 45.34 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 2.23 0.11 0.07 1.61 4.76 -1.26 -3.93 118.16 121.76 1dgq n LYS 263 Ca 0.24 0.05 0.12 0.00 -2.87 0.00 0.00 58.31 55.84 1dgq n LYS 263 Cb 0.66 -0.69 0.04 0.00 -1.84 0.00 0.00 35.03 33.21 1dgq n LYS 263 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1dgq n HIS 264 N -2.93 0.68 -0.25 2.13 8.25 -0.73 -3.75 115.22 118.61 1dgq n HIS 264 Ca -0.03 0.20 0.06 0.00 -0.26 0.00 0.00 57.72 57.68 1dgq n HIS 264 Cb 0.11 -0.76 0.28 0.00 1.12 0.00 0.00 29.99 30.75 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 -2.37 1.37 -0.11 4.41 3.72 -1.11 -3.90 117.46 119.47 1dgq n PHE 265 Ca 0.01 -0.49 -0.06 0.00 -0.05 0.00 0.00 57.45 56.85 1dgq n PHE 265 Cb 0.50 -0.33 0.12 0.00 -0.94 0.00 0.00 39.48 38.83 1dgq n PHE 265 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 1dgq h GLN 266 N 2.94 0.81 -6.11 -1.08 4.15 -1.68 -3.41 115.11 110.73 1dgq h GLN 266 Ca 0.00 -0.27 -0.57 0.00 0.77 0.00 0.00 58.65 58.58 1dgq h GLN 266 Cb 1.42 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.99 1dgq h GLN 266 CO 0.29 0.88 0.62 0.95 -1.93 0.00 0.00 178.83 179.64 1dgq s THR 267 N -4.82 4.76 0.22 2.39 -4.23 -1.25 -4.96 115.64 107.74 1dgq s THR 267 Ca -0.10 1.94 -0.15 0.00 -1.18 0.00 0.00 61.69 62.21 1dgq s THR 267 Cb 0.14 -4.27 0.24 0.00 1.34 0.00 0.00 72.50 69.94 1dgq s THR 267 CO 0.83 -0.07 1.60 0.50 -0.54 0.00 0.00 174.62 176.94 1dgq h LYS 268 N 7.30 -0.05 -0.96 3.99 1.63 -1.93 0.13 116.57 126.68 1dgq h LYS 268 Ca -0.26 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 59.71 1dgq h LYS 268 Cb 1.11 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.65 1dgq h LYS 268 CO 0.90 -0.04 0.57 1.05 -3.45 0.00 0.00 179.45 178.49 1dgq h GLU 269 N -0.06 0.77 -0.06 1.90 9.09 -1.97 -0.02 114.58 124.23 1dgq h GLU 269 Ca 0.31 -0.05 -0.04 0.00 0.05 0.00 0.00 59.36 59.64 1dgq h GLU 269 Cb 0.55 -0.17 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 1dgq h GLU 269 CO -0.74 0.51 -0.11 0.77 0.05 0.00 0.00 179.01 179.49 1dgq h SER 270 N 0.79 0.20 -0.50 3.06 0.02 -1.12 -3.24 113.55 112.76 1dgq h SER 270 Ca 0.53 -0.55 0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1dgq h SER 270 Cb 0.72 -0.06 -0.10 0.00 0.14 0.00 0.00 62.40 63.10 1dgq h SER 270 CO -0.35 0.71 -0.18 1.56 -1.14 0.00 0.00 176.83 177.44 1dgq h GLN 271 N -0.30 -0.07 -1.11 3.45 4.20 0.12 -1.33 115.11 120.08 1dgq h GLN 271 Ca 0.00 0.00 0.31 0.00 0.06 0.00 0.00 58.65 59.03 1dgq h GLN 271 Cb 0.68 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.37 1dgq h GLN 271 CO 0.02 -0.04 0.72 0.93 -0.67 0.00 0.00 178.83 179.79 1dgq h GLU 272 N -0.07 0.29 -0.86 1.46 5.08 -1.07 0.69 114.58 120.11 1dgq h GLU 272 Ca 0.24 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1dgq h GLU 272 Cb 0.44 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1dgq h GLU 272 CO -0.55 0.19 0.57 1.79 -1.00 0.00 0.00 179.01 180.01 1dgq h THR 273 N 0.30 1.22 -0.69 1.13 1.35 -1.31 -2.59 112.91 112.33 1dgq h THR 273 Ca 0.65 -0.40 0.12 0.00 -0.55 0.00 0.00 66.41 66.23 1dgq h THR 273 Cb 1.79 -0.04 -0.09 0.00 -1.73 0.00 0.00 68.15 68.08 1dgq h THR 273 CO -0.32 0.21 0.24 -0.07 -0.25 0.00 0.00 175.52 175.33 1dgq h LEU 274 N 1.16 0.19 -2.34 3.87 3.38 -0.95 0.71 115.31 121.32 1dgq h LEU 274 Ca 0.31 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.38 1dgq h LEU 274 Cb -0.13 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1dgq h LEU 274 CO -0.07 0.08 -0.04 0.45 0.09 0.00 0.00 178.44 178.96 1dgq h HIS 275 N 0.39 0.00 0.09 1.13 3.86 -1.55 0.11 115.15 119.17 1dgq h HIS 275 Ca 0.37 0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.33 1dgq h HIS 275 Cb 0.54 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.03 1dgq h HIS 275 CO -0.19 0.04 -1.03 0.87 0.86 0.00 0.00 177.93 178.47 1dgq h LYS 276 N 0.00 0.54 -0.13 2.45 1.57 -0.92 -3.36 116.57 116.72 1dgq h LYS 276 Ca -0.00 -0.70 -0.06 0.00 -1.87 0.00 0.00 60.65 58.02 1dgq h LYS 276 Cb 0.18 0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1dgq h LYS 276 CO 0.00 1.30 -0.17 0.74 -0.57 0.00 0.00 179.45 180.76 1dgq h PHE 277 N 0.10 0.42 -3.95 -1.35 0.04 -0.81 -3.46 116.94 107.93 1dgq h PHE 277 Ca -0.16 -0.13 -0.51 0.00 2.80 0.00 0.00 57.97 59.97 1dgq h PHE 277 Cb 1.74 -0.08 0.21 0.00 2.20 0.00 0.00 35.95 40.01 1dgq h PHE 277 CO 0.14 0.77 0.05 0.00 -0.60 0.00 0.00 178.31 178.67 1dgq n ALA 278 N -2.43 -1.46 -1.72 2.45 0.00 0.23 -4.82 120.51 112.75 1dgq n ALA 278 Ca -0.07 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.39 1dgq n ALA 278 Cb 0.38 -2.10 0.07 0.00 0.00 0.00 0.00 19.45 17.80 1dgq n ALA 278 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1dgq s SER 279 N -2.51 5.03 0.01 0.00 1.04 -0.44 -4.87 113.70 111.96 1dgq s SER 279 Ca 0.66 1.23 0.00 0.00 0.48 0.00 0.00 55.95 58.32 1dgq s SER 279 Cb -0.23 -2.01 -0.04 0.00 0.10 0.00 0.00 66.02 63.85 1dgq s SER 279 CO 0.61 -1.62 0.06 -0.54 0.98 0.00 0.00 173.24 172.73 1dgq s LYS 280 N -5.25 2.99 -0.01 4.02 -0.14 -1.26 -3.33 119.74 116.76 1dgq s LYS 280 Ca 0.59 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 54.37 1dgq s LYS 280 Cb -0.13 -2.80 -0.04 0.00 -1.68 0.00 0.00 37.83 33.18 1dgq s LYS 280 CO 0.53 0.63 1.20 -2.14 -0.76 0.00 0.00 175.35 174.82 1dgq s PRO 281 N -1.78 4.38 0.57 -1.68 0.02 -1.26 -5.00 135.00 130.25 1dgq s PRO 281 Ca 0.23 1.72 0.26 0.00 0.02 0.00 0.00 61.00 63.23 1dgq s PRO 281 Cb -0.12 -3.48 1.58 0.00 0.02 0.00 0.00 34.50 32.50 1dgq s PRO 281 CO 0.14 -0.37 2.12 0.00 -0.33 0.00 0.00 177.00 178.56 1dgq h ALA 282 N 7.22 1.89 -0.76 -1.55 0.00 -1.87 0.61 119.26 124.81 1dgq h ALA 282 Ca -0.37 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 54.64 1dgq h ALA 282 Cb 1.18 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1dgq h ALA 282 CO 0.85 -0.24 0.50 0.77 0.00 0.00 0.00 179.25 181.12 1dgq h SER 283 N 0.00 0.57 0.06 0.00 0.02 -1.88 0.15 113.55 112.47 1dgq h SER 283 Ca 0.08 0.02 -0.20 0.00 -0.84 0.00 0.00 61.79 60.85 1dgq h SER 283 Cb 0.39 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1dgq h SER 283 CO -0.00 0.33 -1.04 -0.33 -1.14 0.00 0.00 176.83 174.65 1dgq h GLU 284 N 0.63 0.13 0.00 3.45 4.39 -1.26 -3.40 114.58 118.52 1dgq h GLU 284 Ca 0.35 -0.22 -0.13 0.00 0.34 0.00 0.00 59.36 59.71 1dgq h GLU 284 Cb 0.52 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 1dgq h GLU 284 CO -0.13 1.10 -0.60 0.74 -1.16 0.00 0.00 179.01 178.97 1dgq h PHE 285 N -0.65 0.00 -3.35 4.33 0.04 -1.15 -3.43 116.94 112.73 1dgq h PHE 285 Ca -0.24 0.00 -0.57 0.00 2.80 0.00 0.00 57.97 59.96 1dgq h PHE 285 Cb 1.47 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.55 1dgq h PHE 285 CO 0.15 0.60 -0.02 0.08 -0.60 0.00 0.00 178.31 178.52 1dgq s VAL 286 N -2.93 5.12 -0.27 -0.55 1.01 0.49 -0.59 120.40 122.68 1dgq s VAL 286 Ca 0.03 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.22 1dgq s VAL 286 Cb 0.08 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.61 1dgq s VAL 286 CO 0.76 0.28 -0.02 -0.54 0.00 0.00 0.00 175.10 175.57 1dgq s LYS 287 N 0.78 1.62 -0.00 2.72 -0.14 0.25 -4.83 119.74 120.13 1dgq s LYS 287 Ca 0.31 -1.29 -0.30 0.00 -1.36 0.00 0.00 55.97 53.33 1dgq s LYS 287 Cb -0.16 -2.73 -0.05 0.00 -1.68 0.00 0.00 37.83 33.20 1dgq s LYS 287 CO 0.14 -0.72 1.28 0.42 -0.76 0.00 0.00 175.35 175.71 1dgq s ILE 288 N 1.24 3.95 -0.37 2.17 -1.09 -1.26 -0.67 121.20 125.17 1dgq s ILE 288 Ca -0.01 1.34 0.02 0.00 -2.23 0.00 0.00 60.65 59.77 1dgq s ILE 288 Cb -0.19 -3.86 0.11 0.00 -1.58 0.00 0.00 42.46 36.94 1dgq s ILE 288 CO -0.08 0.03 0.13 -0.22 -1.23 0.00 0.00 174.94 173.57 1dgq s LEU 289 N 1.98 3.27 0.31 2.97 2.96 0.21 -4.91 118.68 125.47 1dgq s LEU 289 Ca 0.60 -2.16 0.08 0.00 -0.22 0.00 0.00 54.13 52.43 1dgq s LEU 289 Cb -0.29 -1.20 0.88 0.00 0.50 0.00 0.00 46.19 46.09 1dgq s LEU 289 CO 0.26 -0.35 1.66 -2.24 -1.32 0.00 0.00 176.35 174.36 1dgq h ASP 290 N 7.47 0.30 -5.05 3.68 3.04 -1.91 0.20 116.42 124.15 1dgq h ASP 290 Ca -0.07 0.19 -0.14 0.00 -3.24 0.00 0.00 57.03 53.77 1dgq h ASP 290 Cb 0.98 0.18 -0.19 0.00 -1.04 0.00 0.00 39.33 39.27 1dgq h ASP 290 CO 0.51 -0.11 -0.55 0.42 -2.04 0.00 0.00 179.24 177.47 1dgq s THR 291 N -5.81 0.12 0.41 1.15 -4.23 -1.26 -3.32 115.64 102.71 1dgq s THR 291 Ca -0.11 -1.01 0.21 0.00 -1.18 0.00 0.00 61.69 59.59 1dgq s THR 291 Cb 0.28 -0.72 0.41 0.00 1.34 0.00 0.00 72.50 73.80 1dgq s THR 291 CO 0.78 -0.56 1.76 -0.26 -0.54 0.00 0.00 174.62 175.81 1dgq h PHE 292 N 3.93 0.60 -0.97 3.99 0.04 -1.96 0.63 116.94 123.19 1dgq h PHE 292 Ca -0.32 0.02 0.29 0.00 2.80 0.00 0.00 57.97 60.76 1dgq h PHE 292 Cb 1.19 -0.17 -0.15 0.00 2.20 0.00 0.00 35.95 39.02 1dgq h PHE 292 CO 0.57 0.04 0.47 0.93 -0.60 0.00 0.00 178.31 179.72 1dgq h GLU 293 N 0.34 0.30 0.00 1.51 5.08 -1.96 0.53 114.58 120.39 1dgq h GLU 293 Ca 0.61 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1dgq h GLU 293 Cb 1.63 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1dgq h GLU 293 CO -0.28 0.20 0.00 1.63 -1.00 0.00 0.00 179.01 179.56 1dgq n LYS 294 N -5.09 0.59 -0.25 2.33 4.76 0.21 -3.54 118.16 117.17 1dgq n LYS 294 Ca 0.28 0.02 0.20 0.00 -2.87 0.00 0.00 58.31 55.94 1dgq n LYS 294 Cb 0.87 -1.50 0.52 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 0.40 -0.39 -0.35 3.38 -1.00 0.92 115.31 118.27 1dgq h LEU 295 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1dgq h LEU 295 Cb 0.13 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1dgq h LEU 295 CO 0.00 0.15 0.15 0.11 0.09 0.00 0.00 178.44 178.94 1dgq h LYS 296 N 0.40 0.60 0.12 1.13 1.57 -1.78 0.20 116.57 118.81 1dgq h LYS 296 Ca 0.48 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.14 1dgq h LYS 296 Cb 1.21 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1dgq h LYS 296 CO -0.18 0.57 -0.06 0.22 -0.57 0.00 0.00 179.45 179.43 1dgq h ASP 297 N 0.49 -0.14 -0.25 0.86 3.58 -1.18 -1.25 116.42 118.53 1dgq h ASP 297 Ca 0.13 -0.20 0.06 0.00 0.42 0.00 0.00 57.03 57.44 1dgq h ASP 297 Cb 0.21 0.04 -0.07 0.00 1.72 0.00 0.00 39.33 41.23 1dgq h ASP 297 CO -0.01 0.13 -0.21 0.25 -2.88 0.00 0.00 179.24 176.52 1dgq h LEU 298 N -0.41 -0.67 -0.58 2.28 5.85 -0.93 -0.46 115.31 120.38 1dgq h LEU 298 Ca -0.02 0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1dgq h LEU 298 Cb 0.33 0.33 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 1dgq h LEU 298 CO 0.03 -0.24 -0.25 0.15 -0.34 0.00 0.00 178.44 177.79 1dgq h PHE 299 N -0.20 -0.64 -0.39 1.25 3.57 -0.49 0.23 116.94 120.28 1dgq h PHE 299 Ca 0.14 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.74 1dgq h PHE 299 Cb 0.42 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.49 1dgq h PHE 299 CO -0.37 -0.33 0.17 1.15 -2.23 0.00 0.00 178.31 176.69 1dgq h THR 300 N -0.10 0.93 -0.28 4.41 2.02 0.02 0.17 112.91 120.07 1dgq h THR 300 Ca 0.26 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.32 1dgq h THR 300 Cb 0.51 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1dgq h THR 300 CO -0.65 0.06 0.18 -0.08 0.37 0.00 0.00 175.52 175.40 1dgq h GLU 301 N 0.35 0.38 -0.74 6.66 4.57 -0.06 -0.13 114.58 125.62 1dgq h GLU 301 Ca 0.17 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.31 1dgq h GLU 301 Cb 0.12 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 1dgq h GLU 301 CO -0.15 0.29 0.43 -0.07 -1.18 0.00 0.00 179.01 178.33 1dgq h LEU 302 N 0.37 0.89 -0.16 1.64 3.38 -0.05 -1.52 115.31 119.86 1dgq h LEU 302 Ca 0.10 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1dgq h LEU 302 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1dgq h LEU 302 CO -0.02 0.70 0.00 1.56 0.09 0.00 0.00 178.44 180.78 1dgq h GLN 303 N 1.01 0.06 -0.65 1.13 1.08 -0.36 0.25 115.11 117.63 1dgq h GLN 303 Ca 0.26 -0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.60 1dgq h GLN 303 Cb -0.02 -0.01 -0.10 0.00 -0.05 0.00 0.00 27.48 27.29 1dgq h GLN 303 CO -0.05 0.04 0.06 -0.22 -0.95 0.00 0.00 178.83 177.71 1dgq h LYS 304 N 0.06 0.17 0.42 1.46 3.64 -0.45 0.10 116.57 121.97 1dgq h LYS 304 Ca 0.07 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1dgq h LYS 304 Cb 0.08 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1dgq h LYS 304 CO -0.12 0.11 -0.20 0.87 -2.27 0.00 0.00 179.45 177.84 1dgq h LYS 305 N 0.17 -0.54 -0.77 1.90 1.57 -0.89 -3.33 116.57 114.68 1dgq h LYS 305 Ca 0.35 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.29 1dgq h LYS 305 Cb 0.57 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.95 1dgq h LYS 305 CO -0.51 -0.28 0.51 0.82 -0.57 0.00 0.00 179.45 179.42 1dgq h ILE 306 N -1.07 0.86 -0.89 1.86 2.04 -0.28 0.16 117.51 120.20 1dgq h ILE 306 Ca -0.06 -0.19 0.24 0.00 1.00 0.00 0.00 64.86 65.85 1dgq h ILE 306 Cb 0.52 0.25 -0.14 0.00 -0.74 0.00 0.00 36.82 36.70 1dgq h ILE 306 CO 0.09 0.10 0.26 0.22 0.00 0.00 0.00 178.15 178.83 1dgq h TYR 307 N 0.57 0.40 0.00 1.37 3.20 -0.90 0.25 116.97 121.85 1dgq h TYR 307 Ca 0.37 0.05 -0.07 0.00 3.14 0.00 0.00 58.73 62.22 1dgq h TYR 307 Cb 0.65 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 1dgq h TYR 307 CO -0.00 -0.21 -0.32 0.28 -1.64 0.00 0.00 178.16 176.27 1dgq h VAL 308 N 0.22 1.05 0.02 1.81 2.07 -0.81 0.36 116.25 120.97 1dgq h VAL 308 Ca 0.57 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 1dgq h VAL 308 Cb 1.16 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1dgq h VAL 308 CO -0.65 0.32 -0.45 0.40 0.02 0.00 0.00 177.57 177.20 1dgq h ILE 309 N 0.00 1.52 -0.94 4.57 1.08 -0.60 -2.96 117.51 120.18 1dgq h ILE 309 Ca -0.00 -2.12 0.05 0.00 -0.39 0.00 0.00 64.86 62.40 1dgq h ILE 309 Cb 0.64 2.82 -0.06 0.00 -3.07 0.00 0.00 36.82 37.16 1dgq h ILE 309 CO 0.04 0.59 0.61 -0.08 -0.69 0.00 0.00 178.15 178.63 1dgq h GLU 310 N -0.38 1.08 0.00 2.37 4.57 -0.89 -2.90 114.58 118.43 1dgq h GLU 310 Ca -0.06 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1dgq h GLU 310 Cb 1.22 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1dgq h GLU 310 CO 0.09 0.71 0.00 0.41 -1.18 0.00 0.00 179.01 179.04