#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 0.22 -0.29 3.17 0.00 -1.95 -3.34 119.26 117.07 1dgq h ALA 125 Ca 0.00 0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.45 1dgq h ALA 125 Cb 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1dgq h ALA 125 CO 0.00 -0.34 1.59 0.43 0.00 0.00 0.00 179.25 180.93 1dgq n SER 126 N -5.02 2.91 -4.13 0.00 7.64 -1.24 -4.75 113.62 109.02 1dgq n SER 126 Ca -0.03 -2.70 -0.36 0.00 1.01 0.00 0.00 58.87 56.80 1dgq n SER 126 Cb 0.06 -1.49 -0.06 0.00 -1.01 0.00 0.00 64.21 61.71 1dgq n SER 126 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1dgq n LYS 127 N 7.78 1.57 0.14 1.43 4.76 -1.26 -4.66 118.16 127.93 1dgq n LYS 127 Ca 0.47 -2.19 0.17 0.00 -2.87 0.00 0.00 58.31 53.89 1dgq n LYS 127 Cb 0.44 -3.34 0.75 0.00 -1.84 0.00 0.00 35.03 31.04 1dgq n LYS 127 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1dgq h GLY 128 N 15.84 0.00 -6.90 0.72 0.00 -1.92 -3.37 103.07 107.44 1dgq h GLY 128 Ca 0.32 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.08 1dgq h GLY 128 CO 1.58 0.00 1.24 -1.31 0.00 0.00 0.00 176.54 178.05 1dgq s ASN 129 N -6.12 5.94 -0.04 0.19 0.01 -1.25 -3.81 114.94 109.85 1dgq s ASN 129 Ca -0.05 1.18 0.01 0.00 -0.71 0.00 0.00 52.86 53.29 1dgq s ASN 129 Cb 0.17 -2.53 0.02 0.00 0.41 0.00 0.00 41.25 39.32 1dgq s ASN 129 CO 0.63 -1.69 -0.04 -0.69 -1.51 0.00 0.00 177.10 173.79 1dgq s VAL 130 N 6.74 0.53 -0.52 1.60 1.01 0.16 -0.65 120.40 129.26 1dgq s VAL 130 Ca 0.76 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 1dgq s VAL 130 Cb -0.20 -0.56 0.13 0.00 0.00 0.00 0.00 36.38 35.75 1dgq s VAL 130 CO 0.33 0.22 0.45 -1.81 0.00 0.00 0.00 175.10 174.29 1dgq s ASP 131 N 0.94 6.00 -0.42 3.32 1.01 0.45 -0.38 116.67 127.59 1dgq s ASP 131 Ca -0.11 -1.88 -0.15 0.00 0.71 0.00 0.00 52.55 51.11 1dgq s ASP 131 Cb -0.14 -2.13 0.02 0.00 1.01 0.00 0.00 42.92 41.68 1dgq s ASP 131 CO -0.00 -0.78 0.33 -0.22 0.21 0.00 0.00 175.17 174.71 1dgq s LEU 132 N 1.43 5.09 -0.32 1.23 0.20 0.35 -0.66 118.68 126.01 1dgq s LEU 132 Ca 0.05 -0.88 -0.17 0.00 0.69 0.00 0.00 54.13 53.81 1dgq s LEU 132 Cb -0.28 -2.21 -0.01 0.00 -0.43 0.00 0.00 46.19 43.26 1dgq s LEU 132 CO 0.01 -0.49 0.48 -0.69 -0.29 0.00 0.00 176.35 175.38 1dgq s VAL 133 N 1.77 5.06 -0.70 1.68 1.01 0.26 -1.16 120.40 128.33 1dgq s VAL 133 Ca 0.06 0.49 -0.25 0.00 0.00 0.00 0.00 61.98 62.28 1dgq s VAL 133 Cb -0.19 -3.88 0.05 0.00 0.00 0.00 0.00 36.38 32.36 1dgq s VAL 133 CO 0.11 -0.08 1.12 -0.36 0.00 0.00 0.00 175.10 175.89 1dgq s PHE 134 N 2.31 2.48 -0.96 5.22 0.08 0.21 -0.51 117.98 126.81 1dgq s PHE 134 Ca 0.18 -0.29 -0.20 0.00 0.12 0.00 0.00 56.93 56.75 1dgq s PHE 134 Cb -0.16 -4.46 0.11 0.00 -0.57 0.00 0.00 43.02 37.94 1dgq s PHE 134 CO 0.12 -1.86 1.22 -1.17 -0.10 0.00 0.00 175.22 173.42 1dgq s LEU 135 N 4.91 4.64 -0.13 -0.37 2.96 0.47 -0.59 118.68 130.57 1dgq s LEU 135 Ca 0.29 -1.89 -0.03 0.00 -0.22 0.00 0.00 54.13 52.27 1dgq s LEU 135 Cb -0.12 -2.44 -0.03 0.00 0.50 0.00 0.00 46.19 44.09 1dgq s LEU 135 CO 0.13 -1.18 -0.00 0.72 -1.32 0.00 0.00 176.35 174.69 1dgq s PHE 136 N 3.29 3.12 0.14 5.38 -0.71 0.00 -0.68 117.98 128.52 1dgq s PHE 136 Ca 0.36 -0.02 -0.29 0.00 -1.04 0.00 0.00 56.93 55.95 1dgq s PHE 136 Cb -0.03 -1.90 -0.07 0.00 -1.21 0.00 0.00 43.02 39.80 1dgq s PHE 136 CO -0.10 0.22 0.90 0.34 -1.34 0.00 0.00 175.22 175.24 1dgq s ASP 137 N -0.18 7.48 -0.31 1.98 2.15 0.58 -0.52 116.67 127.85 1dgq s ASP 137 Ca 0.05 1.76 0.18 0.00 0.43 0.00 0.00 52.55 54.97 1dgq s ASP 137 Cb -0.13 -2.56 0.48 0.00 -0.30 0.00 0.00 42.92 40.41 1dgq s ASP 137 CO 0.02 0.04 1.04 0.61 -0.17 0.00 0.00 175.17 176.71 1dgq n GLY 138 N 1.98 2.27 3.88 2.66 0.00 0.53 -4.86 105.19 111.64 1dgq n GLY 138 Ca -0.01 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.31 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 -3.44 5.60 0.64 1.61 1.04 -1.25 -0.28 113.70 117.62 1dgq s SER 139 Ca 0.30 1.15 0.33 0.00 0.48 0.00 0.00 55.95 58.21 1dgq s SER 139 Cb 0.40 -2.01 1.82 0.00 0.10 0.00 0.00 66.02 66.33 1dgq s SER 139 CO -0.01 -1.23 2.08 0.00 0.98 0.00 0.00 173.24 175.06 1dgq h MET 140 N -0.56 0.00 -0.98 4.02 -0.00 -1.09 0.12 114.93 116.45 1dgq h MET 140 Ca -0.45 0.00 0.04 0.00 -0.00 0.00 0.00 59.70 59.29 1dgq h MET 140 Cb 1.24 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 32.78 1dgq h MET 140 CO 0.63 0.00 0.64 0.66 -0.00 0.00 0.00 176.91 178.84 1dgq h SER 141 N 0.00 1.05 -3.69 -0.10 4.64 -1.93 -3.42 113.55 110.11 1dgq h SER 141 Ca 0.04 -0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.85 1dgq h SER 141 Cb 0.50 -0.23 0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1dgq h SER 141 CO -0.00 0.71 0.46 -0.76 -0.87 0.00 0.00 176.83 176.37 1dgq s LEU 142 N -10.16 4.53 0.12 5.97 1.02 0.43 -5.06 118.68 115.54 1dgq s LEU 142 Ca -0.13 2.15 0.04 0.00 0.02 0.00 0.00 54.13 56.22 1dgq s LEU 142 Cb 0.19 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.75 1dgq s LEU 142 CO 0.81 -0.15 0.10 -1.10 0.02 0.00 0.00 176.35 176.03 1dgq s GLN 143 N -0.92 2.86 0.20 1.70 -1.52 -1.26 -4.87 119.66 115.86 1dgq s GLN 143 Ca 0.46 -0.79 -0.14 0.00 -1.95 0.00 0.00 55.36 52.95 1dgq s GLN 143 Cb -0.30 -2.67 0.22 0.00 -0.22 0.00 0.00 33.01 30.04 1dgq s GLN 143 CO 0.37 0.53 1.64 -1.00 -0.25 0.00 0.00 175.29 176.58 1dgq h PRO 144 N 2.88 0.02 -0.94 2.91 0.13 -1.98 0.83 132.00 135.85 1dgq h PRO 144 Ca -0.47 -0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.82 1dgq h PRO 144 Cb 1.18 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.21 1dgq h PRO 144 CO 0.64 0.02 0.54 0.22 -0.23 0.00 0.00 178.00 179.19 1dgq h ASP 145 N 0.02 0.70 -0.06 1.44 3.58 -1.99 0.26 116.42 120.37 1dgq h ASP 145 Ca 0.29 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.78 1dgq h ASP 145 Cb 0.44 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1dgq h ASP 145 CO -0.58 0.28 -0.16 -0.33 -2.88 0.00 0.00 179.24 175.57 1dgq h GLU 146 N 0.73 0.22 -0.94 0.28 5.08 -1.32 -3.06 114.58 115.58 1dgq h GLU 146 Ca 0.52 -0.15 0.03 0.00 -1.00 0.00 0.00 59.36 58.76 1dgq h GLU 146 Cb 0.75 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 1dgq h GLU 146 CO -0.36 0.76 0.62 0.35 -1.00 0.00 0.00 179.01 179.37 1dgq h PHE 147 N -0.29 1.16 -0.89 4.33 3.57 -0.35 -0.05 116.94 124.42 1dgq h PHE 147 Ca -0.00 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1dgq h PHE 147 Cb 0.76 -0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.04 1dgq h PHE 147 CO 0.12 0.69 0.54 1.96 -2.23 0.00 0.00 178.31 179.39 1dgq h GLN 148 N 1.22 0.88 -0.47 1.11 1.08 -0.52 0.96 115.11 119.37 1dgq h GLN 148 Ca 0.36 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.41 1dgq h GLN 148 Cb -0.05 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.16 1dgq h GLN 148 CO -0.10 0.58 -0.09 0.87 -0.95 0.00 0.00 178.83 179.15 1dgq h LYS 149 N 0.91 0.84 -0.37 1.46 1.57 -0.94 0.21 116.57 120.25 1dgq h LYS 149 Ca 0.42 -0.28 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 1dgq h LYS 149 Cb 0.35 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1dgq h LYS 149 CO -0.23 0.90 0.04 0.82 -0.57 0.00 0.00 179.45 180.41 1dgq h ILE 150 N 0.76 0.78 -0.15 1.86 1.08 -0.17 0.25 117.51 121.91 1dgq h ILE 150 Ca 0.13 -0.05 0.02 0.00 -0.39 0.00 0.00 64.86 64.57 1dgq h ILE 150 Cb 0.58 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 34.92 1dgq h ILE 150 CO 0.04 0.03 0.02 -0.07 -0.69 0.00 0.00 178.15 177.48 1dgq h LEU 151 N 0.16 -0.00 -0.67 1.44 3.38 -0.45 -2.70 115.31 116.46 1dgq h LEU 151 Ca 0.18 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.28 1dgq h LEU 151 Cb 0.23 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 1dgq h LEU 151 CO -0.26 0.02 0.27 -0.78 0.09 0.00 0.00 178.44 177.78 1dgq h ASP 152 N 0.09 0.28 0.34 -0.43 3.58 0.01 0.99 116.42 121.28 1dgq h ASP 152 Ca 0.07 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 1dgq h ASP 152 Cb 0.07 0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 1dgq h ASP 152 CO -0.10 0.15 -0.35 0.15 -2.88 0.00 0.00 179.24 176.21 1dgq h PHE 153 N 0.45 -0.95 0.09 0.28 3.57 -0.78 0.25 116.94 119.86 1dgq h PHE 153 Ca 0.35 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.87 1dgq h PHE 153 Cb 0.45 0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1dgq h PHE 153 CO -0.16 -0.49 -0.17 0.52 -2.23 0.00 0.00 178.31 175.78 1dgq h MET 154 N -0.72 -0.32 -0.68 1.11 2.86 -1.07 -1.38 114.93 114.73 1dgq h MET 154 Ca -0.02 0.02 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 1dgq h MET 154 Cb 0.66 0.07 -0.12 0.00 0.06 0.00 0.00 31.60 32.27 1dgq h MET 154 CO -0.07 -0.21 0.01 -0.22 1.06 0.00 0.00 176.91 177.48 1dgq h LYS 155 N -0.33 0.11 0.43 1.72 3.64 -0.74 -0.14 116.57 121.26 1dgq h LYS 155 Ca 0.03 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1dgq h LYS 155 Cb 0.35 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1dgq h LYS 155 CO -0.10 0.08 -0.24 0.22 -2.27 0.00 0.00 179.45 177.14 1dgq h ASP 156 N 0.12 -0.59 -0.24 4.20 1.82 0.27 0.15 116.42 122.16 1dgq h ASP 156 Ca 0.36 0.03 0.06 0.00 -0.39 0.00 0.00 57.03 57.09 1dgq h ASP 156 Cb 0.61 0.17 -0.06 0.00 0.68 0.00 0.00 39.33 40.72 1dgq h ASP 156 CO -0.58 -0.39 -0.17 0.58 -1.61 0.00 0.00 179.24 177.07 1dgq h VAL 157 N -0.62 0.52 -0.48 2.25 2.07 -0.69 -1.43 116.25 117.87 1dgq h VAL 157 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1dgq h VAL 157 Cb 0.50 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1dgq h VAL 157 CO 0.07 0.00 0.23 0.24 0.02 0.00 0.00 177.57 178.13 1dgq h MET 158 N -0.16 0.44 0.03 1.57 2.86 -0.77 0.27 114.93 119.18 1dgq h MET 158 Ca 0.14 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1dgq h MET 158 Cb 0.37 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.89 1dgq h MET 158 CO -0.34 0.29 -0.18 0.87 1.06 0.00 0.00 176.91 178.61 1dgq h LYS 159 N 0.45 -0.30 -0.55 1.72 1.79 -0.08 -0.04 116.57 119.56 1dgq h LYS 159 Ca 0.21 0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.72 1dgq h LYS 159 Cb 0.14 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 30.83 1dgq h LYS 159 CO -0.16 -0.20 0.35 0.87 -1.08 0.00 0.00 179.45 179.22 1dgq h LYS 160 N -0.32 0.68 -0.90 3.15 6.56 -0.84 -3.11 116.57 121.79 1dgq h LYS 160 Ca 0.05 -0.04 -0.61 0.00 -1.06 0.00 0.00 60.65 58.99 1dgq h LYS 160 Cb 0.37 -0.15 -0.32 0.00 -0.57 0.00 0.00 32.23 31.56 1dgq h LYS 160 CO -0.15 0.45 0.36 1.28 -2.06 0.00 0.00 179.45 179.33 1dgq n LEU 161 N -4.74 6.73 -3.96 2.94 4.77 0.05 -4.91 117.00 117.87 1dgq n LEU 161 Ca 0.04 -4.35 -0.38 0.00 -0.03 0.00 0.00 56.01 51.30 1dgq n LEU 161 Cb 0.05 -0.78 -0.06 0.00 -2.33 0.00 0.00 43.42 40.29 1dgq n LEU 161 CO 0.34 1.61 1.84 -1.20 -1.33 0.00 0.00 177.39 178.64 1dgq n SER 162 N -0.89 2.59 -3.52 -1.43 7.64 -0.06 -4.62 113.62 113.32 1dgq n SER 162 Ca 0.56 -2.67 -0.16 0.00 1.01 0.00 0.00 58.87 57.61 1dgq n SER 162 Cb 0.82 -1.30 -0.06 0.00 -1.01 0.00 0.00 64.21 62.67 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 5.71 -0.61 0.61 6.43 2.47 -1.26 -5.05 114.94 123.23 1dgq s ASN 163 Ca 0.62 0.63 0.27 0.00 0.42 0.00 0.00 52.86 54.80 1dgq s ASN 163 Cb 0.09 0.51 1.26 0.00 -1.45 0.00 0.00 41.25 41.65 1dgq s ASN 163 CO 0.14 -0.59 1.67 0.74 -3.72 0.00 0.00 177.10 175.34 1dgq h THR 164 N 2.87 0.19 -0.12 -5.21 2.02 -1.98 0.19 112.91 110.87 1dgq h THR 164 Ca -0.26 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.96 1dgq h THR 164 Cb 1.15 0.40 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 1dgq h THR 164 CO 0.38 0.00 -0.38 0.77 0.37 0.00 0.00 175.52 176.66 1dgq h SER 165 N 0.00 -1.19 -3.16 4.18 4.64 -1.92 -3.34 113.55 112.75 1dgq h SER 165 Ca 0.27 0.16 -0.71 0.00 -0.47 0.00 0.00 61.79 61.04 1dgq h SER 165 Cb 1.71 0.49 -0.21 0.00 -0.31 0.00 0.00 62.40 64.09 1dgq h SER 165 CO -0.00 -0.40 -0.08 -0.31 -0.87 0.00 0.00 176.83 175.16 1dgq s TYR 166 N -5.93 3.12 -0.10 4.77 1.51 0.05 -0.66 117.35 120.11 1dgq s TYR 166 Ca -0.15 -0.85 -0.20 0.00 -1.01 0.00 0.00 57.07 54.85 1dgq s TYR 166 Cb 0.10 -3.58 -0.04 0.00 -0.11 0.00 0.00 41.96 38.33 1dgq s TYR 166 CO 0.65 -1.02 0.57 -0.65 -1.11 0.00 0.00 175.55 173.98 1dgq s GLN 167 N 2.21 4.38 0.15 -0.62 -0.21 0.49 -4.50 119.66 121.55 1dgq s GLN 167 Ca 0.09 0.62 0.08 0.00 0.02 0.00 0.00 55.36 56.17 1dgq s GLN 167 Cb -0.23 -3.44 -0.04 0.00 1.00 0.00 0.00 33.01 30.29 1dgq s GLN 167 CO 0.08 0.11 -0.08 -0.06 -2.12 0.00 0.00 175.29 173.22 1dgq s PHE 168 N 0.72 2.72 0.06 0.91 0.08 -1.26 -0.49 117.98 120.71 1dgq s PHE 168 Ca 0.31 -0.18 0.01 0.00 0.12 0.00 0.00 56.93 57.19 1dgq s PHE 168 Cb -0.16 -1.37 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 1dgq s PHE 168 CO 0.13 0.48 -0.05 0.00 -0.10 0.00 0.00 175.22 175.68 1dgq s ALA 169 N -1.49 0.63 -0.02 5.36 0.00 -0.31 -3.30 121.76 122.62 1dgq s ALA 169 Ca 0.24 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1dgq s ALA 169 Cb -0.10 0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.22 1dgq s ALA 169 CO 0.15 -0.22 0.02 0.00 0.00 0.00 0.00 175.76 175.72 1dgq s ALA 170 N -2.93 0.16 -0.26 0.00 0.00 0.04 -0.62 121.76 118.15 1dgq s ALA 170 Ca 0.02 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1dgq s ALA 170 Cb 0.01 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.87 1dgq s ALA 170 CO -0.05 -0.13 -0.08 0.08 0.00 0.00 0.00 175.76 175.59 1dgq s VAL 171 N 1.15 2.54 0.33 0.00 1.01 0.24 -0.24 120.40 125.42 1dgq s VAL 171 Ca -0.08 -1.36 -0.28 0.00 0.00 0.00 0.00 61.98 60.26 1dgq s VAL 171 Cb -0.13 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.76 1dgq s VAL 171 CO -0.03 0.06 1.14 -1.58 0.00 0.00 0.00 175.10 174.69 1dgq s GLN 172 N 1.21 4.41 0.05 2.72 0.74 0.27 -0.82 119.66 128.24 1dgq s GLN 172 Ca -0.05 1.84 0.03 0.00 0.05 0.00 0.00 55.36 57.23 1dgq s GLN 172 Cb -0.18 -2.98 -0.03 0.00 1.10 0.00 0.00 33.01 30.92 1dgq s GLN 172 CO -0.05 -0.01 -0.09 -0.59 -0.55 0.00 0.00 175.29 174.01 1dgq s PHE 173 N -1.27 0.78 0.00 1.67 -0.71 0.32 -0.14 117.98 118.62 1dgq s PHE 173 Ca 0.49 -0.50 0.00 0.00 -1.04 0.00 0.00 56.93 55.89 1dgq s PHE 173 Cb -0.32 -0.46 0.00 0.00 -1.21 0.00 0.00 43.02 41.03 1dgq s PHE 173 CO 0.41 -0.06 0.00 0.45 -1.34 0.00 0.00 175.22 174.68 1dgq n SER 174 N 1.41 0.10 -0.29 1.98 2.88 -1.26 -0.35 113.62 118.09 1dgq n SER 174 Ca -0.22 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.37 1dgq n SER 174 Cb 0.55 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.21 1dgq n SER 174 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1dgq h THR 175 N 0.00 0.80 -2.16 2.46 2.02 -1.62 0.15 112.91 114.56 1dgq h THR 175 Ca 0.00 -0.24 -0.53 0.00 0.77 0.00 0.00 66.41 66.42 1dgq h THR 175 Cb 0.00 0.05 -0.07 0.00 -1.74 0.00 0.00 68.15 66.39 1dgq h THR 175 CO 0.00 0.13 -0.57 -0.94 0.37 0.00 0.00 175.52 174.51 1dgq s SER 176 N -5.49 5.10 0.15 4.18 1.04 -1.26 -4.52 113.70 112.90 1dgq s SER 176 Ca -0.12 -0.44 -0.05 0.00 0.48 0.00 0.00 55.95 55.82 1dgq s SER 176 Cb 0.21 -1.13 -0.06 0.00 0.10 0.00 0.00 66.02 65.14 1dgq s SER 176 CO 0.78 -0.06 0.39 -0.72 0.98 0.00 0.00 173.24 174.61 1dgq s TYR 177 N -2.23 3.47 -0.28 5.02 -0.85 -1.26 -4.41 117.35 116.81 1dgq s TYR 177 Ca 0.33 0.58 -0.01 0.00 -0.52 0.00 0.00 57.07 57.45 1dgq s TYR 177 Cb -0.07 -2.02 0.13 0.00 0.38 0.00 0.00 41.96 40.38 1dgq s TYR 177 CO 0.23 0.42 0.28 0.21 -1.52 0.00 0.00 175.55 175.17 1dgq s LYS 178 N -2.68 0.31 -0.35 -3.49 2.20 0.80 -4.98 119.74 111.55 1dgq s LYS 178 Ca 0.41 -0.14 -0.29 0.00 -0.36 0.00 0.00 55.97 55.60 1dgq s LYS 178 Cb -0.12 -0.72 -0.07 0.00 -1.51 0.00 0.00 37.83 35.41 1dgq s LYS 178 CO 0.24 -1.00 2.30 2.41 -0.36 0.00 0.00 175.35 178.94 1dgq n THR 179 N 5.31 0.18 -0.04 3.43 -1.04 -1.26 -0.57 114.28 120.28 1dgq n THR 179 Ca -0.03 -0.52 -0.14 0.00 -2.04 0.00 0.00 64.05 61.32 1dgq n THR 179 Cb 0.46 -2.43 -0.08 0.00 -1.82 0.00 0.00 70.33 66.46 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 15.97 0.37 -2.60 -2.82 4.39 -0.96 -3.48 114.58 125.45 1dgq h GLU 180 Ca -0.32 -0.25 -0.04 0.00 0.34 0.00 0.00 59.36 59.09 1dgq h GLU 180 Cb 1.26 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.80 1dgq h GLU 180 CO 1.04 0.86 0.20 -0.59 -1.16 0.00 0.00 179.01 179.36 1dgq s PHE 181 N -3.93 -0.59 0.49 4.33 -0.12 -0.98 -4.83 117.98 112.35 1dgq s PHE 181 Ca -0.14 0.65 0.04 0.00 -0.05 0.00 0.00 56.93 57.43 1dgq s PHE 181 Cb 0.05 0.50 0.04 0.00 -0.63 0.00 0.00 43.02 42.97 1dgq s PHE 181 CO 0.77 -0.75 0.29 -0.40 -0.05 0.00 0.00 175.22 175.08 1dgq n ASP 182 N 0.14 2.73 0.04 1.98 5.68 -1.26 -0.78 116.55 125.08 1dgq n ASP 182 Ca -0.18 -2.77 -0.11 0.00 -0.50 0.00 0.00 54.79 51.23 1dgq n ASP 182 Cb 0.62 0.04 -0.05 0.00 -1.14 0.00 0.00 41.12 40.59 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 0.77 -0.26 -0.68 2.11 0.04 -1.44 -1.13 116.94 116.35 1dgq h PHE 183 Ca -0.33 0.01 0.12 0.00 2.80 0.00 0.00 57.97 60.57 1dgq h PHE 183 Cb 1.15 0.12 -0.09 0.00 2.20 0.00 0.00 35.95 39.33 1dgq h PHE 183 CO 0.00 -0.16 0.25 0.77 -0.60 0.00 0.00 178.31 178.57 1dgq h SER 184 N -0.17 0.22 0.08 2.17 0.02 -1.24 0.21 113.55 114.84 1dgq h SER 184 Ca 0.04 0.10 0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1dgq h SER 184 Cb 0.22 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 1dgq h SER 184 CO -0.11 0.10 -0.16 0.44 -1.14 0.00 0.00 176.83 175.96 1dgq h ASP 185 N 0.40 -0.44 -0.44 3.07 3.32 -1.70 0.14 116.42 120.78 1dgq h ASP 185 Ca 0.36 0.05 0.05 0.00 0.02 0.00 0.00 57.03 57.51 1dgq h ASP 185 Cb 0.51 0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.18 1dgq h ASP 185 CO -0.37 -0.23 0.17 0.22 -1.72 0.00 0.00 179.24 177.32 1dgq h TYR 186 N -0.30 0.31 -0.89 4.55 3.20 -0.41 0.12 116.97 123.55 1dgq h TYR 186 Ca 0.03 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.99 1dgq h TYR 186 Cb 0.33 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.45 1dgq h TYR 186 CO -0.17 0.13 0.55 0.28 -1.64 0.00 0.00 178.16 177.31 1dgq h VAL 187 N 0.35 1.02 0.56 1.81 2.07 -0.09 0.45 116.25 122.42 1dgq h VAL 187 Ca 0.20 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 1dgq h VAL 187 Cb 0.17 -0.05 0.01 0.00 -1.52 0.00 0.00 31.29 29.90 1dgq h VAL 187 CO -0.19 0.18 -0.27 0.50 0.02 0.00 0.00 177.57 177.81 1dgq h LYS 188 N 0.98 -0.72 0.06 1.57 3.64 -0.15 -3.40 116.57 118.55 1dgq h LYS 188 Ca 0.40 0.05 -0.33 0.00 -1.27 0.00 0.00 60.65 59.50 1dgq h LYS 188 Cb 0.23 0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 1dgq h LYS 188 CO -0.19 -0.47 -1.86 0.91 -2.27 0.00 0.00 179.45 175.57 1dgq n TRP 189 N -5.28 1.10 0.00 1.91 7.02 0.37 -4.98 117.44 117.58 1dgq n TRP 189 Ca -0.10 0.31 0.00 0.00 -1.02 0.00 0.00 57.50 56.69 1dgq n TRP 189 Cb 0.30 -1.17 0.00 0.00 -2.42 0.00 0.00 31.31 28.02 1dgq n TRP 189 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1dgq n LYS 190 N -3.25 0.00 -3.55 -0.99 4.76 0.16 -4.92 118.16 110.37 1dgq n LYS 190 Ca -0.24 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 54.79 1dgq n LYS 190 Cb 1.05 -3.54 -0.11 0.00 -1.84 0.00 0.00 35.03 30.59 1dgq n LYS 190 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1dgq s ASP 191 N -2.05 5.89 0.20 4.39 -1.08 -1.26 -4.96 116.67 117.80 1dgq s ASP 191 Ca 0.00 -0.71 -0.11 0.00 -0.52 0.00 0.00 52.55 51.20 1dgq s ASP 191 Cb 0.00 -2.09 0.13 0.00 -1.46 0.00 0.00 42.92 39.50 1dgq s ASP 191 CO 0.00 -0.32 1.87 1.55 0.52 0.00 0.00 175.17 178.78 1dgq h PRO 192 N 8.49 0.89 -0.68 4.34 0.13 -1.91 -0.29 132.00 142.97 1dgq h PRO 192 Ca -0.29 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 1dgq h PRO 192 Cb 1.13 -0.20 -0.04 0.00 0.13 0.00 0.00 31.00 32.03 1dgq h PRO 192 CO 0.66 0.59 0.44 -0.44 -0.23 0.00 0.00 178.00 179.02 1dgq h ASP 193 N 0.91 0.76 0.26 1.44 5.19 -1.95 0.23 116.42 123.27 1dgq h ASP 193 Ca 0.25 -0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.63 1dgq h ASP 193 Cb -0.09 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.24 1dgq h ASP 193 CO -0.06 0.54 -0.13 0.00 -3.12 0.00 0.00 179.24 176.48 1dgq h ALA 194 N 1.26 -0.35 -0.81 3.45 0.00 -1.88 -2.75 119.26 118.18 1dgq h ALA 194 Ca 0.25 -0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.11 1dgq h ALA 194 Cb -0.08 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1dgq h ALA 194 CO -0.07 -0.65 0.53 -0.07 0.00 0.00 0.00 179.25 178.99 1dgq h LEU 195 N -0.45 0.79 -0.16 0.00 3.38 -0.36 -1.16 115.31 117.34 1dgq h LEU 195 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1dgq h LEU 195 Cb 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1dgq h LEU 195 CO 0.06 0.51 -0.03 0.18 0.09 0.00 0.00 178.44 179.25 1dgq n LEU 196 N -4.48 0.29 0.25 1.67 4.77 0.76 -3.97 117.00 116.29 1dgq n LEU 196 Ca 0.12 0.02 0.16 0.00 -0.03 0.00 0.00 56.01 56.28 1dgq n LEU 196 Cb 0.20 -0.12 0.87 0.00 -2.33 0.00 0.00 43.42 42.04 1dgq n LEU 196 CO 0.34 0.05 1.14 0.07 -1.33 0.00 0.00 177.39 177.65 1dgq h LYS 197 N 0.40 0.00 0.00 3.23 2.10 -0.90 -0.33 116.57 121.07 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 0.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.55 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 -2.05 0.07 2.76 -1.79 -3.44 115.15 110.71 1dgq h HIS 198 Ca 0.04 0.00 -0.54 0.00 -2.20 0.00 0.00 60.37 57.67 1dgq h HIS 198 Cb 0.25 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 1dgq h HIS 198 CO 0.00 0.00 1.47 0.08 -1.30 0.00 0.00 177.93 178.18 1dgq s VAL 199 N -3.76 3.16 -0.32 5.26 1.01 -0.14 -4.94 120.40 120.67 1dgq s VAL 199 Ca -0.01 0.14 -0.04 0.00 0.00 0.00 0.00 61.98 62.07 1dgq s VAL 199 Cb 0.10 -3.27 0.04 0.00 0.00 0.00 0.00 36.38 33.26 1dgq s VAL 199 CO 0.45 -0.21 0.06 -0.54 0.00 0.00 0.00 175.10 174.86 1dgq s LYS 200 N 6.79 2.53 -0.13 2.72 1.02 -1.26 -5.07 119.74 126.34 1dgq s LYS 200 Ca 0.91 -1.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.39 1dgq s LYS 200 Cb -0.24 -3.33 -0.06 0.00 -0.52 0.00 0.00 37.83 33.69 1dgq s LYS 200 CO 0.31 -0.65 1.96 -1.58 -0.92 0.00 0.00 175.35 174.47 1dgq s HIS 201 N 1.33 1.48 0.01 3.18 2.46 -1.26 -4.90 115.29 117.58 1dgq s HIS 201 Ca -0.03 0.20 -0.24 0.00 0.47 0.00 0.00 55.06 55.46 1dgq s HIS 201 Cb -0.20 -4.05 -0.18 0.00 -0.13 0.00 0.00 32.58 28.02 1dgq s HIS 201 CO 0.01 -4.26 1.34 0.52 -2.47 0.00 0.00 174.74 169.88 1dgq h MET 202 N 12.28 0.10 -5.44 2.88 2.86 -1.94 -3.48 114.93 122.18 1dgq h MET 202 Ca -0.42 -0.05 -0.30 0.00 -2.06 0.00 0.00 59.70 56.88 1dgq h MET 202 Cb 1.21 -0.00 0.17 0.00 0.06 0.00 0.00 31.60 33.04 1dgq h MET 202 CO 0.97 0.51 -0.75 1.28 1.06 0.00 0.00 176.91 179.97 1dgq n LEU 203 N -4.80 -4.31 0.00 1.22 4.77 0.62 -4.94 117.00 109.56 1dgq n LEU 203 Ca -0.08 -0.61 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1dgq n LEU 203 Cb 0.25 -3.02 0.00 0.00 -2.33 0.00 0.00 43.42 38.32 1dgq n LEU 203 CO 0.35 0.30 0.00 0.18 -1.33 0.00 0.00 177.39 176.89 1dgq n LEU 204 N -3.78 0.00 0.00 2.23 4.77 -1.26 -4.12 117.00 114.84 1dgq n LEU 204 Ca -0.23 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1dgq n LEU 204 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 1dgq n LEU 204 CO 0.58 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.82 1dgq n LEU 205 N 0.00 0.00 -3.59 2.23 4.77 -1.26 -0.75 117.00 118.40 1dgq n LEU 205 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.70 1dgq n LEU 205 Cb 0.00 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1dgq n LEU 205 CO 0.00 -0.43 -0.22 -0.89 -1.33 0.00 0.00 177.39 174.52 1dgq s THR 206 N -0.65 1.29 -1.41 -5.08 2.01 -1.26 -1.78 115.64 108.76 1dgq s THR 206 Ca 0.00 -3.18 -0.09 0.00 0.31 0.00 0.00 61.69 58.73 1dgq s THR 206 Cb 0.00 -1.87 0.07 0.00 0.01 0.00 0.00 72.50 70.70 1dgq s THR 206 CO 0.00 -1.13 2.37 -3.20 -0.69 0.00 0.00 174.62 171.98 1dgq n ASN 207 N 2.62 6.73 -0.06 3.53 2.85 0.54 -0.86 115.26 130.61 1dgq n ASN 207 Ca 0.24 -2.94 -0.11 0.00 -0.11 0.00 0.00 54.58 51.66 1dgq n ASN 207 Cb 0.42 -1.49 -0.05 0.00 1.24 0.00 0.00 39.78 39.90 1dgq n ASN 207 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 1dgq h THR 208 N 3.24 1.23 0.32 -0.44 2.02 -1.86 0.16 112.91 117.58 1dgq h THR 208 Ca 0.64 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1dgq h THR 208 Cb 0.44 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 68.17 1dgq h THR 208 CO 1.67 0.23 -0.51 -0.26 0.37 0.00 0.00 175.52 177.02 1dgq h PHE 209 N 0.10 -1.44 -0.84 3.16 0.04 -1.85 0.18 116.94 116.31 1dgq h PHE 209 Ca 0.06 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1dgq h PHE 209 Cb 0.32 0.58 -0.04 0.00 2.20 0.00 0.00 35.95 39.01 1dgq h PHE 209 CO 0.02 -0.63 0.49 0.78 -0.60 0.00 0.00 178.31 178.36 1dgq h GLY 210 N -0.88 1.22 1.24 -1.45 0.00 -1.79 -0.88 103.07 100.53 1dgq h GLY 210 Ca -0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 47.33 46.68 1dgq h GLY 210 CO -0.17 0.50 -0.06 0.00 0.00 0.00 0.00 176.54 176.81 1dgq h ALA 211 N 1.38 0.94 0.05 3.60 0.00 -0.61 0.11 119.26 124.73 1dgq h ALA 211 Ca 0.30 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1dgq h ALA 211 Cb -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1dgq h ALA 211 CO -0.05 0.63 -0.02 0.82 0.00 0.00 0.00 179.25 180.62 1dgq h ILE 212 N 0.82 0.97 -0.36 0.00 2.04 -0.02 0.50 117.51 121.46 1dgq h ILE 212 Ca 0.14 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1dgq h ILE 212 Cb 0.57 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.59 1dgq h ILE 212 CO 0.03 0.01 0.05 0.78 0.00 0.00 0.00 178.15 179.02 1dgq h ASN 213 N -0.08 -0.05 0.05 1.72 2.35 -0.84 0.23 115.58 118.97 1dgq h ASN 213 Ca -0.01 0.07 0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1dgq h ASN 213 Cb 0.07 0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.49 1dgq h ASN 213 CO 0.01 0.01 -0.40 0.22 -1.65 0.00 0.00 177.43 175.62 1dgq h TYR 214 N 0.16 -1.14 -0.22 1.19 3.20 -0.56 -2.71 116.97 116.88 1dgq h TYR 214 Ca 0.17 0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.13 1dgq h TYR 214 Cb 0.21 0.49 -0.06 0.00 1.54 0.00 0.00 36.73 38.91 1dgq h TYR 214 CO -0.21 -0.49 -0.18 0.28 -1.64 0.00 0.00 178.16 175.92 1dgq h VAL 215 N -0.59 0.51 -0.91 1.81 2.07 -0.46 0.38 116.25 119.06 1dgq h VAL 215 Ca 0.04 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.77 1dgq h VAL 215 Cb 0.65 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 30.81 1dgq h VAL 215 CO -0.28 0.00 0.43 0.00 0.02 0.00 0.00 177.57 177.74 1dgq h ALA 216 N 0.93 1.47 0.00 1.67 0.00 -0.69 -0.95 119.26 121.69 1dgq h ALA 216 Ca 0.13 0.15 -0.39 0.00 0.00 0.00 0.00 54.91 54.80 1dgq h ALA 216 Cb 0.38 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 1dgq h ALA 216 CO -0.33 -0.30 -2.30 0.25 0.00 0.00 0.00 179.25 176.57 1dgq n THR 217 N -5.00 1.28 0.78 0.00 -2.24 -0.97 -4.38 114.28 103.75 1dgq n THR 217 Ca 0.22 -0.34 0.11 0.00 -2.27 0.00 0.00 64.05 61.78 1dgq n THR 217 Cb 0.64 -1.78 0.02 0.00 -2.10 0.00 0.00 70.33 67.11 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 -3.99 0.15 -0.06 -0.78 -0.58 0.13 -4.50 120.64 111.01 1dgq n GLU 218 Ca -0.46 -0.01 -0.12 0.00 -0.42 0.00 0.00 57.16 56.16 1dgq n GLU 218 Cb 0.83 -1.54 -0.05 0.00 -0.57 0.00 0.00 31.44 30.11 1dgq n GLU 218 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1dgq n VAL 219 N -1.72 0.68 -1.38 2.62 0.31 -0.65 -4.74 118.33 113.45 1dgq n VAL 219 Ca 0.03 -0.20 -0.40 0.00 -0.01 0.00 0.00 64.34 63.76 1dgq n VAL 219 Cb 0.39 -1.41 -0.06 0.00 -0.91 0.00 0.00 33.84 31.85 1dgq n VAL 219 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1dgq n PHE 220 N -3.32 2.10 -4.33 3.52 3.72 -0.46 -4.75 117.46 113.95 1dgq n PHE 220 Ca -0.23 -1.74 -0.18 0.00 -0.05 0.00 0.00 57.45 55.25 1dgq n PHE 220 Cb 0.69 -1.93 -0.15 0.00 -0.94 0.00 0.00 39.48 37.16 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 5.34 0.68 0.24 -1.08 0.52 -1.26 -4.80 118.95 118.58 1dgq s ARG 221 Ca 0.60 -0.29 -0.05 0.00 -0.52 0.00 0.00 55.73 55.47 1dgq s ARG 221 Cb 0.11 -0.66 0.38 0.00 0.52 0.00 0.00 34.95 35.30 1dgq s ARG 221 CO 0.12 0.17 1.81 0.93 0.02 0.00 0.00 175.30 178.35 1dgq h GLU 222 N 5.97 0.74 -0.87 3.54 3.07 -1.89 0.35 114.58 125.49 1dgq h GLU 222 Ca -0.30 -0.04 0.17 0.00 -0.50 0.00 0.00 59.36 58.68 1dgq h GLU 222 Cb 1.18 -0.17 -0.07 0.00 -0.84 0.00 0.00 28.75 28.86 1dgq h GLU 222 CO 0.50 0.49 0.57 1.05 -1.40 0.00 0.00 179.01 180.21 1dgq h GLU 223 N 0.76 0.50 -0.40 2.33 4.11 -1.96 0.19 114.58 120.10 1dgq h GLU 223 Ca 0.38 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.78 1dgq h GLU 223 Cb 0.35 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1dgq h GLU 223 CO -0.24 0.33 0.00 1.28 0.07 0.00 0.00 179.01 180.44 1dgq n LEU 224 N -4.53 2.44 0.00 3.06 4.77 -0.05 -4.90 117.00 117.79 1dgq n LEU 224 Ca 0.18 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 1dgq n LEU 224 Cb 0.58 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1dgq n LEU 224 CO 0.30 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1dgq n GLY 225 N 1.25 0.86 3.55 -0.72 0.00 0.65 -0.84 105.19 109.95 1dgq n GLY 225 Ca 0.16 -0.15 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 2.59 0.08 4.61 0.00 -0.26 -4.61 121.76 122.16 1dgq s ALA 226 Ca 0.00 -1.40 -0.31 0.00 0.00 0.00 0.00 51.96 50.26 1dgq s ALA 226 Cb 0.00 -4.33 -0.08 0.00 0.00 0.00 0.00 23.12 18.71 1dgq s ALA 226 CO 0.00 -3.53 1.66 1.03 0.00 0.00 0.00 175.76 174.92 1dgq s ARG 227 N 5.91 4.20 0.33 0.00 0.52 -1.26 -3.72 118.95 124.92 1dgq s ARG 227 Ca 0.44 2.35 0.01 0.00 -0.52 0.00 0.00 55.73 58.01 1dgq s ARG 227 Cb -0.07 -3.57 0.55 0.00 0.52 0.00 0.00 34.95 32.38 1dgq s ARG 227 CO 0.11 -0.73 1.95 -1.00 0.02 0.00 0.00 175.30 175.65 1dgq h PRO 228 N 8.23 0.85 0.00 3.54 0.13 -1.99 -1.01 132.00 141.75 1dgq h PRO 228 Ca -0.43 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1dgq h PRO 228 Cb 1.20 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1dgq h PRO 228 CO 0.93 0.62 0.00 0.38 -0.23 0.00 0.00 178.00 179.70 1dgq h ASP 229 N 0.86 0.00 -3.84 1.44 2.03 -1.97 -3.46 116.42 111.48 1dgq h ASP 229 Ca 0.22 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 56.00 1dgq h ASP 229 Cb 0.01 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 38.56 1dgq h ASP 229 CO -0.04 0.00 0.59 0.00 -1.03 0.00 0.00 179.24 178.76 1dgq s ALA 230 N -3.19 3.47 -0.02 4.15 0.00 -0.39 -4.92 121.76 120.87 1dgq s ALA 230 Ca 0.08 1.15 -0.32 0.00 0.00 0.00 0.00 51.96 52.87 1dgq s ALA 230 Cb 0.10 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 1dgq s ALA 230 CO 0.58 -0.49 1.91 2.41 0.00 0.00 0.00 175.76 180.17 1dgq n THR 231 N 0.97 0.63 -2.35 0.00 -1.04 0.17 -4.46 114.28 108.20 1dgq n THR 231 Ca -0.00 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.47 1dgq n THR 231 Cb 0.43 -2.06 -0.00 0.00 -1.82 0.00 0.00 70.33 66.88 1dgq n THR 231 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1dgq n LYS 232 N 6.86 3.09 -3.63 -2.82 4.76 -1.26 -0.41 118.16 124.74 1dgq n LYS 232 Ca 0.21 -3.09 -0.36 0.00 -2.87 0.00 0.00 58.31 52.20 1dgq n LYS 232 Cb 0.34 -3.45 -0.09 0.00 -1.84 0.00 0.00 35.03 30.00 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 4.04 5.35 -0.31 -0.18 1.01 0.16 -0.68 120.40 129.79 1dgq s VAL 233 Ca 0.52 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.82 1dgq s VAL 233 Cb 0.07 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 33.00 1dgq s VAL 233 CO 0.04 0.36 0.03 -0.22 0.00 0.00 0.00 175.10 175.30 1dgq s LEU 234 N 0.85 3.93 -0.42 3.92 0.20 0.40 -0.57 118.68 127.00 1dgq s LEU 234 Ca 0.10 -1.86 -0.17 0.00 0.69 0.00 0.00 54.13 52.88 1dgq s LEU 234 Cb -0.13 -1.44 0.02 0.00 -0.43 0.00 0.00 46.19 44.21 1dgq s LEU 234 CO 0.03 -0.35 0.45 -0.63 -0.29 0.00 0.00 176.35 175.56 1dgq s ILE 235 N 1.10 5.07 -0.45 6.68 1.01 0.34 -0.95 121.20 134.00 1dgq s ILE 235 Ca 0.06 -0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.24 1dgq s ILE 235 Cb -0.19 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.28 1dgq s ILE 235 CO -0.10 -0.41 0.62 -0.63 0.00 0.00 0.00 174.94 174.42 1dgq s ILE 236 N 2.18 4.86 -0.41 2.92 1.01 0.46 -0.39 121.20 131.83 1dgq s ILE 236 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.61 1dgq s ILE 236 Cb -0.17 -4.21 0.05 0.00 0.01 0.00 0.00 42.46 38.15 1dgq s ILE 236 CO 0.14 -0.63 0.26 -0.63 0.00 0.00 0.00 174.94 174.08 1dgq s ILE 237 N 2.72 4.55 0.01 2.92 1.01 0.14 -0.52 121.20 132.03 1dgq s ILE 237 Ca 0.20 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1dgq s ILE 237 Cb -0.15 -3.66 -0.01 0.00 0.01 0.00 0.00 42.46 38.65 1dgq s ILE 237 CO 0.17 -0.40 -0.02 0.28 0.00 0.00 0.00 174.94 174.97 1dgq s THR 238 N 1.52 0.16 -1.40 2.92 -1.32 -0.39 -0.31 115.64 116.81 1dgq s THR 238 Ca 0.03 -0.36 0.22 0.00 -1.21 0.00 0.00 61.69 60.36 1dgq s THR 238 Cb -0.21 -0.19 -0.15 0.00 -1.51 0.00 0.00 72.50 70.44 1dgq s THR 238 CO 0.05 -0.13 0.97 -0.90 -2.21 0.00 0.00 174.62 172.40 1dgq n ASP 239 N 2.55 1.40 -4.13 8.08 5.75 -1.26 -0.49 116.55 128.44 1dgq n ASP 239 Ca -0.16 -1.20 -0.16 0.00 -0.01 0.00 0.00 54.79 53.26 1dgq n ASP 239 Cb 0.58 0.80 -0.12 0.00 -1.03 0.00 0.00 41.12 41.35 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 -2.80 0.74 0.73 6.12 0.00 -1.26 -2.87 107.32 107.98 1dgq s GLY 240 Ca 0.12 -0.95 -0.16 0.00 0.00 0.00 0.00 44.72 43.73 1dgq s GLY 240 CO 0.76 -0.99 0.92 1.18 0.00 0.00 0.00 173.10 174.96 1dgq n GLU 241 N 1.22 0.46 -2.36 2.90 4.71 -1.26 -4.85 120.64 121.45 1dgq n GLU 241 Ca -0.21 0.21 -0.37 0.00 -0.01 0.00 0.00 57.16 56.79 1dgq n GLU 241 Cb 0.55 -2.18 -0.03 0.00 -1.01 0.00 0.00 31.44 28.77 1dgq n GLU 241 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dgq s ALA 242 N -1.85 2.63 0.40 0.62 0.00 -1.26 -4.65 121.76 117.65 1dgq s ALA 242 Ca 0.72 -2.52 0.19 0.00 0.00 0.00 0.00 51.96 50.35 1dgq s ALA 242 Cb -0.34 -4.65 1.11 0.00 0.00 0.00 0.00 23.12 19.24 1dgq s ALA 242 CO 0.51 -4.12 1.78 1.79 0.00 0.00 0.00 175.76 175.73 1dgq h THR 243 N 5.97 0.54 0.00 0.00 1.35 -1.33 -2.26 112.91 117.18 1dgq h THR 243 Ca 0.33 -0.13 -0.02 0.00 -0.55 0.00 0.00 66.41 66.04 1dgq h THR 243 Cb 0.91 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.45 1dgq h THR 243 CO 1.36 0.07 -0.08 -0.78 -0.25 0.00 0.00 175.52 175.84 1dgq h ASP 244 N 0.39 0.00 -5.43 5.36 3.58 -1.88 -3.46 116.42 114.98 1dgq h ASP 244 Ca 0.58 0.00 -0.41 0.00 0.42 0.00 0.00 57.03 57.62 1dgq h ASP 244 Cb 1.48 0.00 0.08 0.00 1.72 0.00 0.00 39.33 42.61 1dgq h ASP 244 CO -0.27 0.08 -0.66 -1.20 -2.88 0.00 0.00 179.24 174.31 1dgq n SER 245 N -3.98 -5.98 0.00 2.28 7.64 -0.85 -4.97 113.62 107.75 1dgq n SER 245 Ca -0.03 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.38 1dgq n SER 245 Cb 0.17 -4.76 0.00 0.00 -1.01 0.00 0.00 64.21 58.60 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 -1.77 0.55 3.58 0.23 0.00 -1.26 -5.13 105.19 101.39 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 -1.00 0.11 0.00 1.61 2.20 -1.26 -5.08 114.94 111.52 1dgq s ASN 247 Ca 0.00 -1.06 0.03 0.00 -0.94 0.00 0.00 52.86 50.89 1dgq s ASN 247 Cb 0.00 0.62 0.05 0.00 -2.00 0.00 0.00 41.25 39.92 1dgq s ASN 247 CO 0.00 -1.21 0.95 2.30 -2.94 0.00 0.00 177.10 176.20 1dgq n ILE 248 N -0.43 0.00 -0.30 0.54 -5.35 -1.26 -4.57 119.36 107.99 1dgq n ILE 248 Ca -0.02 -0.12 0.06 0.00 -0.27 0.00 0.00 62.75 62.41 1dgq n ILE 248 Cb 0.62 0.48 0.27 0.00 -1.74 0.00 0.00 39.64 39.27 1dgq n ILE 248 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 1dgq h ASP 249 N 0.12 0.85 -1.32 7.28 5.19 -1.98 0.89 116.42 127.46 1dgq h ASP 249 Ca -0.04 0.02 0.39 0.00 -0.62 0.00 0.00 57.03 56.78 1dgq h ASP 249 Cb 1.40 -0.16 -0.09 0.00 0.18 0.00 0.00 39.33 40.66 1dgq h ASP 249 CO 0.00 0.51 0.90 0.00 -3.12 0.00 0.00 179.24 177.54 1dgq h ALA 250 N 1.54 2.93 -0.56 3.45 0.00 -1.96 -0.43 119.26 124.22 1dgq h ALA 250 Ca 0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1dgq h ALA 250 Cb 0.35 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1dgq h ALA 250 CO -0.18 -1.40 0.00 0.00 0.00 0.00 0.00 179.25 177.67 1dgq n ALA 251 N -2.66 2.38 -0.34 0.00 0.00 0.30 -4.76 120.51 115.43 1dgq n ALA 251 Ca 0.32 -1.30 0.19 0.00 0.00 0.00 0.00 53.44 52.64 1dgq n ALA 251 Cb 1.34 -0.73 0.40 0.00 0.00 0.00 0.00 19.45 20.46 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 3.27 0.53 0.00 0.00 2.10 -1.03 0.10 116.57 121.54 1dgq h LYS 252 Ca 0.00 -0.03 -0.14 0.00 -2.00 0.00 0.00 60.65 58.48 1dgq h LYS 252 Cb 0.95 -0.12 -0.02 0.00 -0.90 0.00 0.00 32.23 32.14 1dgq h LYS 252 CO 0.03 0.35 -0.66 0.22 -2.00 0.00 0.00 179.45 177.39 1dgq h ASP 253 N 0.54 0.00 -4.00 7.07 3.58 -1.86 -3.46 116.42 118.30 1dgq h ASP 253 Ca 0.66 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 57.65 1dgq h ASP 253 Cb 1.30 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.34 1dgq h ASP 253 CO -0.50 0.66 0.36 -0.63 -2.88 0.00 0.00 179.24 176.25 1dgq s ILE 254 N -3.24 4.13 -0.80 2.25 1.01 0.35 -4.96 121.20 119.93 1dgq s ILE 254 Ca 0.01 1.49 -0.25 0.00 0.00 0.00 0.00 60.65 61.90 1dgq s ILE 254 Cb 0.11 -3.71 0.05 0.00 0.01 0.00 0.00 42.46 38.92 1dgq s ILE 254 CO 0.76 -0.12 1.26 -0.63 0.00 0.00 0.00 174.94 176.21 1dgq s ILE 255 N -1.90 3.92 -0.89 2.92 -1.09 0.15 -4.85 121.20 119.45 1dgq s ILE 255 Ca 0.59 -0.07 -0.25 0.00 -2.23 0.00 0.00 60.65 58.69 1dgq s ILE 255 Cb -0.15 -4.90 0.02 0.00 -1.58 0.00 0.00 42.46 35.84 1dgq s ILE 255 CO 0.20 -1.79 1.57 -0.13 -1.23 0.00 0.00 174.94 173.56 1dgq s ARG 256 N 5.14 3.17 0.08 2.79 3.00 -1.26 -0.45 118.95 131.42 1dgq s ARG 256 Ca 0.35 -0.57 -0.24 0.00 0.00 0.00 0.00 55.73 55.28 1dgq s ARG 256 Cb -0.08 -4.95 -0.06 0.00 0.00 0.00 0.00 34.95 29.86 1dgq s ARG 256 CO 0.08 -2.53 0.72 -0.47 0.00 0.00 0.00 175.30 173.10 1dgq s TYR 257 N 6.75 3.79 -0.02 -0.53 6.14 -0.12 -1.21 117.35 132.16 1dgq s TYR 257 Ca 0.52 1.46 0.01 0.00 0.64 0.00 0.00 57.07 59.70 1dgq s TYR 257 Cb -0.04 -2.73 0.02 0.00 0.42 0.00 0.00 41.96 39.62 1dgq s TYR 257 CO 0.00 0.40 -0.01 -1.50 0.64 0.00 0.00 175.55 175.09 1dgq s ILE 258 N -0.56 0.22 -0.30 3.14 2.07 0.17 -0.40 121.20 125.54 1dgq s ILE 258 Ca 0.35 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.59 1dgq s ILE 258 Cb -0.21 -0.27 0.05 0.00 0.13 0.00 0.00 42.46 42.16 1dgq s ILE 258 CO 0.23 0.13 -0.01 -0.63 -1.91 0.00 0.00 174.94 172.74 1dgq s ILE 259 N 0.68 2.95 -0.54 2.00 1.01 0.32 -0.53 121.20 127.10 1dgq s ILE 259 Ca -0.07 -1.37 -0.19 0.00 0.00 0.00 0.00 60.65 59.02 1dgq s ILE 259 Cb -0.10 -2.69 0.07 0.00 0.01 0.00 0.00 42.46 39.76 1dgq s ILE 259 CO -0.01 -0.09 0.65 -0.83 0.00 0.00 0.00 174.94 174.67 1dgq s GLY 260 N 1.25 1.77 0.32 6.18 0.00 0.29 -1.26 107.32 115.87 1dgq s GLY 260 Ca -0.05 -1.91 -0.29 0.00 0.00 0.00 0.00 44.72 42.47 1dgq s GLY 260 CO -0.01 1.51 1.35 -0.42 0.00 0.00 0.00 173.10 175.52 1dgq s ILE 261 N 2.66 2.64 -0.50 0.90 -1.09 0.36 -0.13 121.20 126.03 1dgq s ILE 261 Ca 0.14 0.62 -0.07 0.00 -2.23 0.00 0.00 60.65 59.11 1dgq s ILE 261 Cb -0.21 -3.40 -0.20 0.00 -1.58 0.00 0.00 42.46 37.08 1dgq s ILE 261 CO 0.10 0.14 3.22 0.61 -1.23 0.00 0.00 174.94 177.78 1dgq n GLY 262 N 0.98 3.26 0.36 6.18 0.00 1.00 -3.02 105.19 113.95 1dgq n GLY 262 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 2.91 0.00 0.05 1.61 4.76 -1.26 -4.59 118.16 121.64 1dgq n LYS 263 Ca 0.51 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.75 1dgq n LYS 263 Cb 0.64 -0.29 -0.13 0.00 -1.84 0.00 0.00 35.03 33.42 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 0.00 0.76 0.00 2.13 3.86 -1.62 -3.33 115.15 116.96 1dgq h HIS 264 Ca 0.00 -0.47 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1dgq h HIS 264 Cb 0.00 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1dgq h HIS 264 CO 0.00 1.32 0.00 1.19 0.86 0.00 0.00 177.93 181.30 1dgq n PHE 265 N -4.03 0.00 0.10 2.45 3.72 -1.17 -1.39 117.46 117.15 1dgq n PHE 265 Ca -0.13 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.26 1dgq n PHE 265 Cb 0.84 -0.01 0.23 0.00 -0.94 0.00 0.00 39.48 39.59 1dgq n PHE 265 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 176.76 178.67 1dgq h GLN 266 N 0.16 0.22 -6.26 -1.08 1.08 -1.81 -3.43 115.11 103.99 1dgq h GLN 266 Ca 0.00 -0.11 -0.57 0.00 -1.45 0.00 0.00 58.65 56.52 1dgq h GLN 266 Cb 0.06 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 1dgq h GLN 266 CO 0.00 0.60 0.90 0.95 -0.95 0.00 0.00 178.83 180.33 1dgq s THR 267 N -4.13 4.35 0.30 -0.54 -4.23 -0.49 -4.92 115.64 105.99 1dgq s THR 267 Ca -0.04 1.58 0.05 0.00 -1.18 0.00 0.00 61.69 62.10 1dgq s THR 267 Cb 0.13 -4.22 0.30 0.00 1.34 0.00 0.00 72.50 70.05 1dgq s THR 267 CO 0.77 -0.36 1.77 0.50 -0.54 0.00 0.00 174.62 176.76 1dgq h LYS 268 N 8.45 0.73 -0.94 3.99 3.64 -1.89 0.14 116.57 130.69 1dgq h LYS 268 Ca -0.24 -0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.21 1dgq h LYS 268 Cb 1.08 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 32.66 1dgq h LYS 268 CO 1.01 0.49 0.60 1.05 -2.27 0.00 0.00 179.45 180.33 1dgq h GLU 269 N 0.76 0.87 -0.07 1.90 9.09 -1.96 0.96 114.58 126.13 1dgq h GLU 269 Ca 0.57 -0.05 -0.05 0.00 0.05 0.00 0.00 59.36 59.88 1dgq h GLU 269 Cb 0.89 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 1dgq h GLU 269 CO -0.38 0.58 -0.16 0.77 0.05 0.00 0.00 179.01 179.86 1dgq h SER 270 N 0.90 0.27 -0.57 3.06 0.02 -1.09 -3.25 113.55 112.89 1dgq h SER 270 Ca 0.45 -0.57 0.12 0.00 -0.84 0.00 0.00 61.79 60.95 1dgq h SER 270 Cb 0.50 -0.08 -0.10 0.00 0.14 0.00 0.00 62.40 62.86 1dgq h SER 270 CO -0.22 0.79 -0.04 1.56 -1.14 0.00 0.00 176.83 177.79 1dgq h GLN 271 N -0.24 0.08 -1.05 3.45 4.20 -0.29 0.04 115.11 121.30 1dgq h GLN 271 Ca 0.00 -0.00 0.27 0.00 0.06 0.00 0.00 58.65 58.98 1dgq h GLN 271 Cb 0.75 -0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.42 1dgq h GLN 271 CO 0.04 0.05 0.68 0.93 -0.67 0.00 0.00 178.83 179.85 1dgq h GLU 272 N 0.08 0.37 -0.23 1.46 5.08 -0.89 0.29 114.58 120.75 1dgq h GLU 272 Ca 0.29 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1dgq h GLU 272 Cb 0.46 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1dgq h GLU 272 CO -0.51 0.25 0.03 1.79 -1.00 0.00 0.00 179.01 179.56 1dgq h THR 273 N 0.38 1.24 -0.76 1.13 1.35 -1.02 -2.98 112.91 112.26 1dgq h THR 273 Ca 0.61 -0.80 0.10 0.00 -0.55 0.00 0.00 66.41 65.76 1dgq h THR 273 Cb 1.55 1.32 -0.07 0.00 -1.73 0.00 0.00 68.15 69.22 1dgq h THR 273 CO -0.31 0.25 0.41 -0.07 -0.25 0.00 0.00 175.52 175.55 1dgq h LEU 274 N 0.18 0.55 -1.50 3.87 3.38 -0.89 0.18 115.31 121.08 1dgq h LEU 274 Ca 0.07 0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.25 1dgq h LEU 274 Cb 0.35 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 1dgq h LEU 274 CO 0.01 0.31 0.54 0.45 0.09 0.00 0.00 178.44 179.84 1dgq h HIS 275 N 0.68 0.57 -0.07 1.13 3.86 -1.21 0.13 115.15 120.24 1dgq h HIS 275 Ca 0.37 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.56 1dgq h HIS 275 Cb 0.37 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1dgq h HIS 275 CO -0.09 0.20 -0.13 0.87 0.86 0.00 0.00 177.93 179.65 1dgq h LYS 276 N 0.48 0.20 -0.41 2.45 1.57 -0.89 -3.34 116.57 116.63 1dgq h LYS 276 Ca 0.41 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1dgq h LYS 276 Cb 0.88 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.19 1dgq h LYS 276 CO -0.15 0.72 0.09 0.74 -0.57 0.00 0.00 179.45 180.28 1dgq h PHE 277 N -0.28 0.70 -4.05 -1.35 0.04 -0.79 -3.45 116.94 107.76 1dgq h PHE 277 Ca 0.00 -0.09 -0.54 0.00 2.80 0.00 0.00 57.97 60.14 1dgq h PHE 277 Cb 0.71 -0.20 0.18 0.00 2.20 0.00 0.00 35.95 38.84 1dgq h PHE 277 CO 0.11 0.67 0.28 0.00 -0.60 0.00 0.00 178.31 178.77 1dgq n ALA 278 N -2.36 0.04 -1.34 2.45 0.00 0.35 -4.76 120.51 114.90 1dgq n ALA 278 Ca -0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 1dgq n ALA 278 Cb 0.21 -2.22 0.09 0.00 0.00 0.00 0.00 19.45 17.54 1dgq n ALA 278 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1dgq s SER 279 N -1.87 4.49 0.00 0.00 0.01 -0.35 -4.91 113.70 111.07 1dgq s SER 279 Ca 0.74 1.66 -0.02 0.00 1.31 0.00 0.00 55.95 59.65 1dgq s SER 279 Cb -0.32 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.47 1dgq s SER 279 CO 0.49 -2.02 0.15 -0.54 0.41 0.00 0.00 173.24 171.73 1dgq s LYS 280 N -4.96 3.30 0.05 12.44 -0.14 -1.26 -3.42 119.74 125.74 1dgq s LYS 280 Ca 0.61 -0.40 -0.31 0.00 -1.36 0.00 0.00 55.97 54.52 1dgq s LYS 280 Cb -0.16 -3.00 -0.06 0.00 -1.68 0.00 0.00 37.83 32.93 1dgq s LYS 280 CO 0.56 0.66 1.26 -2.14 -0.76 0.00 0.00 175.35 174.92 1dgq s PRO 281 N -1.94 4.38 0.53 -1.68 0.02 -1.26 -4.99 135.00 130.07 1dgq s PRO 281 Ca 0.27 1.83 0.23 0.00 0.02 0.00 0.00 61.00 63.35 1dgq s PRO 281 Cb -0.12 -3.38 1.39 0.00 0.02 0.00 0.00 34.50 32.40 1dgq s PRO 281 CO 0.18 -0.35 2.06 0.00 -0.33 0.00 0.00 177.00 178.56 1dgq h ALA 282 N 7.01 2.25 -0.67 -1.55 0.00 -1.89 0.11 119.26 124.51 1dgq h ALA 282 Ca -0.40 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.57 1dgq h ALA 282 Cb 1.20 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1dgq h ALA 282 CO 0.84 -0.39 0.44 0.66 0.00 0.00 0.00 179.25 180.80 1dgq h SER 283 N 0.00 0.55 0.07 0.00 4.64 -1.89 0.18 113.55 117.09 1dgq h SER 283 Ca 0.15 0.01 -0.20 0.00 -0.47 0.00 0.00 61.79 61.27 1dgq h SER 283 Cb 0.61 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 1dgq h SER 283 CO -0.00 0.34 -1.04 -0.33 -0.87 0.00 0.00 176.83 174.93 1dgq h GLU 284 N 0.61 0.14 0.00 4.77 5.08 -1.17 -3.41 114.58 120.60 1dgq h GLU 284 Ca 0.30 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1dgq h GLU 284 Cb 0.37 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1dgq h GLU 284 CO -0.10 1.11 -0.67 0.74 -1.00 0.00 0.00 179.01 179.10 1dgq h PHE 285 N -0.62 0.00 -3.25 4.33 0.04 -1.10 -3.44 116.94 112.90 1dgq h PHE 285 Ca -0.24 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 59.95 1dgq h PHE 285 Cb 1.49 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.56 1dgq h PHE 285 CO 0.16 0.48 -0.18 0.08 -0.60 0.00 0.00 178.31 178.25 1dgq s VAL 286 N -2.98 5.16 -0.28 -0.55 1.01 0.60 -0.66 120.40 122.71 1dgq s VAL 286 Ca 0.03 0.87 0.01 0.00 0.00 0.00 0.00 61.98 62.88 1dgq s VAL 286 Cb 0.08 -3.76 0.08 0.00 0.00 0.00 0.00 36.38 32.77 1dgq s VAL 286 CO 0.76 0.40 0.01 -0.54 0.00 0.00 0.00 175.10 175.73 1dgq s LYS 287 N 0.17 1.35 -0.81 2.72 -0.14 0.31 -4.81 119.74 118.54 1dgq s LYS 287 Ca 0.24 -1.22 -0.26 0.00 -1.36 0.00 0.00 55.97 53.37 1dgq s LYS 287 Cb -0.15 -2.59 0.02 0.00 -1.68 0.00 0.00 37.83 33.43 1dgq s LYS 287 CO 0.10 -0.78 1.50 0.42 -0.76 0.00 0.00 175.35 175.83 1dgq s ILE 288 N 1.33 3.68 -0.61 2.17 -1.09 -1.26 -0.55 121.20 124.87 1dgq s ILE 288 Ca 0.02 -0.01 -0.19 0.00 -2.23 0.00 0.00 60.65 58.24 1dgq s ILE 288 Cb -0.18 -4.68 0.11 0.00 -1.58 0.00 0.00 42.46 36.12 1dgq s ILE 288 CO -0.11 -1.61 0.72 -0.22 -1.23 0.00 0.00 174.94 172.49 1dgq s LEU 289 N 6.60 5.41 0.25 2.97 2.96 0.81 -4.87 118.68 132.82 1dgq s LEU 289 Ca 0.47 -1.49 -0.02 0.00 -0.22 0.00 0.00 54.13 52.87 1dgq s LEU 289 Cb -0.07 -2.30 0.52 0.00 0.50 0.00 0.00 46.19 44.84 1dgq s LEU 289 CO 0.08 -1.10 1.32 -0.90 -1.32 0.00 0.00 176.35 174.42 1dgq n ASP 290 N 6.29 -0.20 -3.90 3.68 5.75 -1.26 -0.00 116.55 126.90 1dgq n ASP 290 Ca -0.08 1.44 -0.10 0.00 -0.01 0.00 0.00 54.79 56.05 1dgq n ASP 290 Cb 0.43 -0.48 -0.09 0.00 -1.03 0.00 0.00 41.12 39.94 1dgq n ASP 290 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1dgq s THR 291 N -5.93 0.12 0.36 2.12 -4.23 -1.26 -3.00 115.64 103.83 1dgq s THR 291 Ca -0.12 -1.02 0.16 0.00 -1.18 0.00 0.00 61.69 59.53 1dgq s THR 291 Cb 0.24 -0.87 0.36 0.00 1.34 0.00 0.00 72.50 73.57 1dgq s THR 291 CO 0.66 -0.56 1.70 -0.26 -0.54 0.00 0.00 174.62 175.62 1dgq h PHE 292 N 3.64 0.83 -0.99 3.99 0.04 -1.96 0.12 116.94 122.61 1dgq h PHE 292 Ca -0.32 0.03 0.19 0.00 2.80 0.00 0.00 57.97 60.67 1dgq h PHE 292 Cb 1.19 -0.23 -0.18 0.00 2.20 0.00 0.00 35.95 38.93 1dgq h PHE 292 CO 0.53 -0.06 -0.28 0.39 -0.60 0.00 0.00 178.31 178.30 1dgq n GLU 293 N -4.86 -0.12 0.00 1.51 1.02 -1.26 -0.67 120.64 116.27 1dgq n GLU 293 Ca 0.30 1.54 0.10 0.00 -0.02 0.00 0.00 57.16 59.08 1dgq n GLU 293 Cb 0.95 -2.30 0.61 0.00 -0.02 0.00 0.00 31.44 30.68 1dgq n GLU 293 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1dgq n LYS 294 N -5.59 0.74 -0.24 3.49 4.76 0.43 -3.27 118.16 118.49 1dgq n LYS 294 Ca 0.15 0.00 0.22 0.00 -2.87 0.00 0.00 58.31 55.81 1dgq n LYS 294 Cb 0.48 -1.43 0.56 0.00 -1.84 0.00 0.00 35.03 32.80 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 0.32 -0.53 -0.35 3.38 -1.00 0.18 115.31 117.30 1dgq h LEU 295 Ca 0.00 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1dgq h LEU 295 Cb 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1dgq h LEU 295 CO 0.00 0.11 0.10 0.11 0.09 0.00 0.00 178.44 178.86 1dgq h LYS 296 N 0.31 0.87 -0.01 1.13 1.79 -1.78 0.15 116.57 119.03 1dgq h LYS 296 Ca 0.48 -0.22 -0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1dgq h LYS 296 Cb 1.35 -0.11 -0.00 0.00 -1.58 0.00 0.00 32.23 31.89 1dgq h LYS 296 CO -0.15 0.84 -0.00 0.22 -1.08 0.00 0.00 179.45 179.28 1dgq h ASP 297 N 0.76 0.01 -0.21 0.86 3.58 -1.19 -2.66 116.42 117.57 1dgq h ASP 297 Ca 0.16 -0.35 0.06 0.00 0.42 0.00 0.00 57.03 57.32 1dgq h ASP 297 Cb 0.38 -0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.37 1dgq h ASP 297 CO 0.01 0.36 -0.19 0.25 -2.88 0.00 0.00 179.24 176.79 1dgq h LEU 298 N -0.34 -0.61 -0.79 2.28 5.85 -0.71 -0.29 115.31 120.70 1dgq h LEU 298 Ca 0.00 0.12 0.12 0.00 0.84 0.00 0.00 57.88 58.96 1dgq h LEU 298 Cb 0.36 0.30 -0.13 0.00 0.37 0.00 0.00 40.66 41.55 1dgq h LEU 298 CO 0.00 -0.23 -0.39 0.15 -0.34 0.00 0.00 178.44 177.63 1dgq h PHE 299 N -0.20 -1.11 -0.32 1.25 3.57 -0.68 0.37 116.94 119.82 1dgq h PHE 299 Ca 0.13 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.76 1dgq h PHE 299 Cb 0.39 0.60 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1dgq h PHE 299 CO -0.34 -0.40 0.06 1.15 -2.23 0.00 0.00 178.31 176.55 1dgq h THR 300 N -0.09 0.85 -0.91 4.41 2.02 -0.86 0.55 112.91 118.87 1dgq h THR 300 Ca 0.27 -0.06 0.01 0.00 0.77 0.00 0.00 66.41 67.40 1dgq h THR 300 Cb 0.57 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 1dgq h THR 300 CO -0.83 0.03 0.60 -0.08 0.37 0.00 0.00 175.52 175.61 1dgq h GLU 301 N 0.18 1.20 -0.42 6.66 4.57 0.54 0.02 114.58 127.33 1dgq h GLU 301 Ca 0.15 -0.08 -0.03 0.00 -1.18 0.00 0.00 59.36 58.22 1dgq h GLU 301 Cb 0.16 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.46 1dgq h GLU 301 CO -0.20 0.80 0.15 -0.07 -1.18 0.00 0.00 179.01 178.51 1dgq h LEU 302 N 1.24 0.60 -0.79 1.64 3.38 0.55 0.48 115.31 122.39 1dgq h LEU 302 Ca 0.33 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.13 1dgq h LEU 302 Cb -0.14 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.42 1dgq h LEU 302 CO -0.07 0.62 0.52 1.56 0.09 0.00 0.00 178.44 181.16 1dgq h GLN 303 N 0.53 1.02 0.07 1.13 1.08 -0.39 0.18 115.11 118.72 1dgq h GLN 303 Ca 0.14 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1dgq h GLN 303 Cb 0.23 -0.23 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 1dgq h GLN 303 CO -0.01 0.67 -0.29 -0.22 -0.95 0.00 0.00 178.83 178.03 1dgq h LYS 304 N 1.05 -0.46 -0.01 1.46 3.64 -0.62 0.16 116.57 121.79 1dgq h LYS 304 Ca 0.30 0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.74 1dgq h LYS 304 Cb -0.09 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1dgq h LYS 304 CO -0.08 -0.31 -0.20 0.87 -2.27 0.00 0.00 179.45 177.47 1dgq h LYS 305 N -0.48 -0.31 -1.00 1.90 1.57 -0.32 -0.54 116.57 117.40 1dgq h LYS 305 Ca 0.04 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1dgq h LYS 305 Cb 0.53 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.86 1dgq h LYS 305 CO -0.20 -0.20 0.66 0.82 -0.57 0.00 0.00 179.45 179.95 1dgq h ILE 306 N -0.32 1.20 -0.49 1.86 2.04 -0.53 0.12 117.51 121.39 1dgq h ILE 306 Ca 0.06 -0.44 0.07 0.00 1.00 0.00 0.00 64.86 65.54 1dgq h ILE 306 Cb 0.40 -0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.21 1dgq h ILE 306 CO -0.19 0.24 0.17 0.22 0.00 0.00 0.00 178.15 178.59 1dgq h TYR 307 N 1.30 0.30 -0.52 1.37 3.20 -0.10 0.91 116.97 123.42 1dgq h TYR 307 Ca 0.39 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.29 1dgq h TYR 307 Cb -0.06 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1dgq h TYR 307 CO -0.00 0.10 0.34 0.28 -1.64 0.00 0.00 178.16 177.24 1dgq h VAL 308 N 0.34 1.12 0.22 1.81 2.07 0.63 0.39 116.25 122.83 1dgq h VAL 308 Ca 0.24 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1dgq h VAL 308 Cb 0.25 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1dgq h VAL 308 CO -0.24 0.13 -0.36 0.40 0.02 0.00 0.00 177.57 177.52 1dgq h ILE 309 N 0.70 0.26 -0.58 4.57 1.08 -0.28 -2.39 117.51 120.87 1dgq h ILE 309 Ca 0.19 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.68 1dgq h ILE 309 Cb -0.07 0.26 -0.03 0.00 -3.07 0.00 0.00 36.82 33.92 1dgq h ILE 309 CO -0.05 0.00 0.38 -0.33 -0.69 0.00 0.00 178.15 177.46 1dgq h GLU 310 N -0.65 0.71 0.00 2.37 4.39 -0.62 -3.43 114.58 117.36 1dgq h GLU 310 Ca 0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1dgq h GLU 310 Cb 0.64 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1dgq h GLU 310 CO -0.15 0.47 0.00 0.41 -1.16 0.00 0.00 179.01 178.59