#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfd s LYS 128 N 0.00 0.58 0.00 2.61 -2.85 -1.26 -5.13 119.74 113.69 1xfd s LYS 128 Ca 0.00 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.00 1xfd s LYS 128 Cb 0.00 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 1xfd s LYS 128 CO 0.00 -0.14 0.00 1.17 0.10 0.00 0.00 175.35 176.48 1xfd n LYS 129 N 1.80 0.00 -3.70 1.78 3.00 -1.26 -4.10 118.16 115.68 1xfd n LYS 129 Ca -0.19 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 57.82 1xfd n LYS 129 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.56 1xfd n LYS 129 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1xfd s LYS 130 N 0.00 3.56 -0.05 1.64 1.02 -1.26 -2.00 119.74 122.65 1xfd s LYS 130 Ca 0.00 -0.22 -0.30 0.00 0.02 0.00 0.00 55.97 55.47 1xfd s LYS 130 Cb 0.00 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.40 1xfd s LYS 130 CO 0.00 0.45 1.53 0.08 -0.92 0.00 0.00 175.35 176.50 1xfd s VAL 131 N -1.73 3.69 0.39 3.17 1.01 -1.26 -4.86 120.40 120.81 1xfd s VAL 131 Ca 0.39 0.92 0.08 0.00 0.00 0.00 0.00 61.98 63.37 1xfd s VAL 131 Cb -0.12 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1xfd s VAL 131 CO 0.27 -0.06 0.14 0.28 0.00 0.00 0.00 175.10 175.73 1xfd s THR 132 N 3.52 2.41 0.23 3.92 -1.32 -1.26 -3.77 115.64 119.37 1xfd s THR 132 Ca 0.68 -1.75 -0.08 0.00 -1.21 0.00 0.00 61.69 59.33 1xfd s THR 132 Cb -0.31 -2.97 0.20 0.00 -1.51 0.00 0.00 72.50 67.91 1xfd s THR 132 CO 0.26 -0.05 1.89 0.58 -2.21 0.00 0.00 174.62 175.09 1xfd h VAL 133 N 1.52 1.18 -0.64 5.08 2.07 -1.97 -1.43 116.25 122.06 1xfd h VAL 133 Ca -0.43 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 66.79 1xfd h VAL 133 Cb 1.25 -0.02 -0.07 0.00 -1.52 0.00 0.00 31.29 30.93 1xfd h VAL 133 CO 0.69 0.20 0.30 -0.33 0.02 0.00 0.00 177.57 178.45 1xfd h GLU 134 N 1.10 0.52 -0.41 1.57 3.07 -1.96 -0.75 114.58 117.71 1xfd h GLU 134 Ca 0.32 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.22 1xfd h GLU 134 Cb -0.06 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 27.68 1xfd h GLU 134 CO -0.09 0.34 0.07 -0.44 -1.40 0.00 0.00 179.01 177.49 1xfd h ASP 135 N 0.53 -0.01 -0.76 1.42 3.32 -1.68 -1.73 116.42 117.51 1xfd h ASP 135 Ca 0.31 0.07 0.18 0.00 0.02 0.00 0.00 57.03 57.61 1xfd h ASP 135 Cb 0.31 0.10 -0.13 0.00 0.22 0.00 0.00 39.33 39.84 1xfd h ASP 135 CO -0.25 0.03 0.07 -0.07 -1.72 0.00 0.00 179.24 177.29 1xfd h LEU 136 N 0.20 -0.23 -3.46 1.55 3.38 -0.56 0.20 115.31 116.39 1xfd h LEU 136 Ca 0.20 0.19 -0.20 0.00 0.09 0.00 0.00 57.88 58.15 1xfd h LEU 136 Cb 0.25 0.30 -0.12 0.00 0.09 0.00 0.00 40.66 41.18 1xfd h LEU 136 CO -0.27 -0.15 0.25 0.49 0.09 0.00 0.00 178.44 178.86 1xfd n PHE 137 N -5.29 2.20 -2.86 1.13 3.72 -0.80 -4.80 117.46 110.76 1xfd n PHE 137 Ca 0.15 -1.09 -0.37 0.00 -0.05 0.00 0.00 57.45 56.09 1xfd n PHE 137 Cb 0.50 -0.64 -0.06 0.00 -0.94 0.00 0.00 39.48 38.34 1xfd n PHE 137 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1xfd s SER 138 N -0.82 7.28 0.00 4.37 0.01 0.72 -4.90 113.70 120.35 1xfd s SER 138 Ca 0.49 1.73 0.10 0.00 1.31 0.00 0.00 55.95 59.57 1xfd s SER 138 Cb 0.39 -2.54 0.43 0.00 0.21 0.00 0.00 66.02 64.51 1xfd s SER 138 CO 0.12 -0.03 1.29 1.21 0.41 0.00 0.00 173.24 176.23 1xfd n GLU 139 N 0.64 0.03 -0.02 12.44 4.07 -1.26 -2.19 120.64 134.35 1xfd n GLU 139 Ca 0.01 0.30 -0.16 0.00 -0.06 0.00 0.00 57.16 57.24 1xfd n GLU 139 Cb 0.50 -1.50 -0.13 0.00 -0.06 0.00 0.00 31.44 30.25 1xfd n GLU 139 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1xfd h ASP 140 N 0.00 0.20 -0.09 4.31 3.45 -1.90 -3.32 116.42 119.07 1xfd h ASP 140 Ca 0.00 -0.96 0.00 0.00 0.43 0.00 0.00 57.03 56.50 1xfd h ASP 140 Cb 0.15 -0.06 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1xfd h ASP 140 CO 0.00 1.15 0.00 0.49 -1.57 0.00 0.00 179.24 179.31 1xfd n PHE 141 N -4.41 0.12 -2.52 4.55 3.01 -0.93 -3.25 117.46 114.03 1xfd n PHE 141 Ca -0.11 -0.06 -0.43 0.00 1.01 0.00 0.00 57.45 57.86 1xfd n PHE 141 Cb 0.61 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.06 1xfd n PHE 141 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1xfd s LYS 142 N -1.88 4.16 0.38 -1.08 2.20 -1.10 -4.96 119.74 117.46 1xfd s LYS 142 Ca 0.28 1.42 -0.24 0.00 -0.36 0.00 0.00 55.97 57.07 1xfd s LYS 142 Cb 0.14 -3.75 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 1xfd s LYS 142 CO 0.22 -0.79 1.02 0.42 -0.36 0.00 0.00 175.35 175.86 1xfd s ILE 143 N 3.60 3.86 -0.28 5.43 -1.09 -1.26 -4.82 121.20 126.64 1xfd s ILE 143 Ca 0.51 1.43 0.00 0.00 -2.23 0.00 0.00 60.65 60.36 1xfd s ILE 143 Cb -0.18 -3.74 0.05 0.00 -1.58 0.00 0.00 42.46 37.01 1xfd s ILE 143 CO 0.14 0.02 -0.05 -1.00 -1.23 0.00 0.00 174.94 172.81 1xfd s HIS 144 N -1.68 3.24 -0.37 3.97 3.76 -1.26 -5.08 115.29 117.87 1xfd s HIS 144 Ca 0.56 -2.01 -0.19 0.00 -0.15 0.00 0.00 55.06 53.28 1xfd s HIS 144 Cb -0.21 -2.03 0.01 0.00 1.11 0.00 0.00 32.58 31.46 1xfd s HIS 144 CO 0.26 -0.83 0.57 0.34 -0.85 0.00 0.00 174.74 174.23 1xfd s ASP 145 N 1.20 6.34 0.38 1.40 3.68 -1.26 -4.92 116.67 123.49 1xfd s ASP 145 Ca -0.06 -0.09 0.26 0.00 2.13 0.00 0.00 52.55 54.79 1xfd s ASP 145 Cb -0.19 -2.29 1.36 0.00 -1.45 0.00 0.00 42.92 40.34 1xfd s ASP 145 CO -0.03 -0.58 1.81 -0.65 0.13 0.00 0.00 175.17 175.85 1xfd h PRO 146 N 8.56 0.00 -6.42 4.34 0.11 -1.83 -3.46 132.00 133.30 1xfd h PRO 146 Ca -0.27 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.36 1xfd h PRO 146 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1xfd h PRO 146 CO 0.81 0.00 -0.90 0.39 -0.21 0.00 0.00 178.00 178.10 1xfd n GLU 147 N -2.43 -2.90 -2.18 1.05 1.02 -1.26 -3.01 120.64 110.93 1xfd n GLU 147 Ca -0.01 0.42 -0.41 0.00 -0.02 0.00 0.00 57.16 57.14 1xfd n GLU 147 Cb 0.09 -4.43 -0.03 0.00 -0.02 0.00 0.00 31.44 27.05 1xfd n GLU 147 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xfd s ALA 148 N -3.83 3.53 -0.08 0.62 0.00 -1.26 -4.25 121.76 116.49 1xfd s ALA 148 Ca 0.11 1.17 -0.03 0.00 0.00 0.00 0.00 51.96 53.21 1xfd s ALA 148 Cb -0.04 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.64 1xfd s ALA 148 CO 0.88 -0.57 0.15 0.21 0.00 0.00 0.00 175.76 176.43 1xfd s LYS 149 N -0.66 0.05 0.47 0.00 2.20 -1.26 -4.95 119.74 115.60 1xfd s LYS 149 Ca 0.54 0.49 -0.24 0.00 -0.36 0.00 0.00 55.97 56.40 1xfd s LYS 149 Cb -0.38 -0.24 -0.07 0.00 -1.51 0.00 0.00 37.83 35.63 1xfd s LYS 149 CO 0.43 -0.26 1.30 -1.58 -0.36 0.00 0.00 175.35 174.89 1xfd s TRP 150 N 1.88 2.61 -0.00 4.03 0.52 -1.26 0.41 118.94 127.13 1xfd s TRP 150 Ca -0.01 1.41 0.01 0.00 0.02 0.00 0.00 56.10 57.53 1xfd s TRP 150 Cb -0.12 -3.68 -0.02 0.00 -1.15 0.00 0.00 33.47 28.50 1xfd s TRP 150 CO -0.06 -2.33 0.02 -0.89 0.02 0.00 0.00 176.95 173.72 1xfd n ILE 151 N -0.43 0.02 -3.00 2.03 5.41 -0.08 -4.83 119.36 118.48 1xfd n ILE 151 Ca 0.07 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1xfd n ILE 151 Cb 0.45 0.11 0.00 0.00 -0.71 0.00 0.00 39.64 39.49 1xfd n ILE 151 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 1xfd n SER 152 N -1.67 0.00 -1.19 4.38 3.41 -1.09 -4.98 113.62 112.47 1xfd n SER 152 Ca -0.01 -0.36 0.11 0.00 -0.26 0.00 0.00 58.87 58.35 1xfd n SER 152 Cb 0.16 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.40 1xfd n SER 152 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xfd n ASP 153 N -0.82 3.47 0.00 4.04 3.85 -1.26 -0.61 116.55 125.23 1xfd n ASP 153 Ca 0.00 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.09 1xfd n ASP 153 Cb 0.00 -0.40 0.00 0.00 -1.35 0.00 0.00 41.12 39.37 1xfd n ASP 153 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1xfd n THR 154 N 1.42 0.00 -3.59 2.12 -2.24 -1.26 -4.64 114.28 106.09 1xfd n THR 154 Ca 0.22 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.70 1xfd n THR 154 Cb 0.56 1.22 -0.07 0.00 -2.10 0.00 0.00 70.33 69.94 1xfd n THR 154 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1xfd s GLU 155 N -0.18 0.95 0.22 -0.78 -1.05 -1.26 -2.31 118.70 114.30 1xfd s GLU 155 Ca 0.00 0.14 0.11 0.00 -0.15 0.00 0.00 54.97 55.08 1xfd s GLU 155 Cb 0.00 0.44 -0.05 0.00 -0.44 0.00 0.00 34.13 34.09 1xfd s GLU 155 CO 0.00 -0.29 -0.22 -0.59 0.95 0.00 0.00 175.26 175.11 1xfd s PHE 156 N -1.22 2.24 0.30 4.83 -0.12 -1.15 -0.90 117.98 121.95 1xfd s PHE 156 Ca -0.12 -0.36 0.04 0.00 -0.05 0.00 0.00 56.93 56.44 1xfd s PHE 156 Cb -0.01 -1.06 0.66 0.00 -0.63 0.00 0.00 43.02 41.98 1xfd s PHE 156 CO 0.08 0.57 1.81 0.82 -0.05 0.00 0.00 175.22 178.45 1xfd h ILE 157 N 2.84 0.81 -4.92 -4.49 1.08 -0.35 -2.51 117.51 109.97 1xfd h ILE 157 Ca -0.43 -0.30 -0.26 0.00 -0.39 0.00 0.00 64.86 63.47 1xfd h ILE 157 Cb 1.23 -0.14 0.14 0.00 -3.07 0.00 0.00 36.82 34.98 1xfd h ILE 157 CO 0.53 0.16 -0.62 0.00 -0.69 0.00 0.00 178.15 177.53 1xfd n TYR 158 N -4.69 -1.75 -1.56 1.37 9.36 -1.26 -1.93 117.16 116.70 1xfd n TYR 158 Ca 0.21 0.75 -0.42 0.00 3.32 0.00 0.00 57.90 61.77 1xfd n TYR 158 Cb 0.47 -4.47 0.01 0.00 -0.63 0.00 0.00 39.34 34.72 1xfd n TYR 158 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1xfd n ARG 159 N -3.50 1.08 0.00 2.98 0.63 -1.16 -2.25 116.66 114.43 1xfd n ARG 159 Ca -0.23 0.39 0.00 0.00 -0.92 0.00 0.00 57.85 57.09 1xfd n ARG 159 Cb 0.64 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.68 1xfd n ARG 159 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1xfd n GLU 160 N 0.26 0.00 0.10 -0.14 1.02 -1.24 -4.62 120.64 116.02 1xfd n GLU 160 Ca 0.10 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.35 1xfd n GLU 160 Cb 0.39 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.81 1xfd n GLU 160 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1xfd h GLN 161 N 0.27 0.00 0.00 3.49 3.07 -1.57 -3.41 115.11 116.96 1xfd h GLN 161 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1xfd h GLN 161 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.56 1xfd h GLN 161 CO 0.00 0.03 0.00 1.63 0.09 0.00 0.00 178.83 180.58 1xfd n LYS 162 N -2.72 0.00 0.00 0.06 5.02 -1.26 -5.02 118.16 114.24 1xfd n LYS 162 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1xfd n LYS 162 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1xfd n LYS 162 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xfd n GLY 163 N 0.00 1.11 3.74 0.72 0.00 -1.26 -5.08 105.19 104.43 1xfd n GLY 163 Ca 0.00 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.27 1xfd n GLY 163 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xfd s THR 164 N 0.00 2.02 -0.24 2.61 -1.32 -1.26 -4.63 115.64 112.82 1xfd s THR 164 Ca 0.00 0.02 -0.07 0.00 -1.21 0.00 0.00 61.69 60.43 1xfd s THR 164 Cb 0.00 -3.01 -0.03 0.00 -1.51 0.00 0.00 72.50 67.95 1xfd s THR 164 CO 0.00 -0.00 0.06 -0.69 -2.21 0.00 0.00 174.62 171.78 1xfd s VAL 165 N -1.32 4.33 0.00 5.08 1.01 0.30 -1.73 120.40 128.07 1xfd s VAL 165 Ca 0.75 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1xfd s VAL 165 Cb -0.40 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1xfd s VAL 165 CO 0.46 0.36 0.00 0.54 0.00 0.00 0.00 175.10 176.46 1xfd n ARG 166 N 4.69 3.76 -2.76 2.72 5.12 -0.96 -0.67 116.66 128.57 1xfd n ARG 166 Ca -0.16 0.00 0.01 0.00 -1.93 0.00 0.00 57.85 55.76 1xfd n ARG 166 Cb 0.52 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.83 1xfd n ARG 166 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1xfd s LEU 167 N 0.00 -0.37 0.52 0.55 2.96 -0.81 -4.24 118.68 117.29 1xfd s LEU 167 Ca 0.00 -0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 53.47 1xfd s LEU 167 Cb 0.00 0.47 -0.07 0.00 0.50 0.00 0.00 46.19 47.09 1xfd s LEU 167 CO 0.00 -0.03 1.11 0.26 -1.32 0.00 0.00 176.35 176.37 1xfd s TRP 168 N 1.73 2.78 -0.51 5.38 0.52 -0.95 -1.90 118.94 125.99 1xfd s TRP 168 Ca 0.17 1.55 0.03 0.00 0.02 0.00 0.00 56.10 57.87 1xfd s TRP 168 Cb 0.05 -3.24 0.15 0.00 -1.15 0.00 0.00 33.47 29.28 1xfd s TRP 168 CO -0.14 -1.38 0.33 1.21 0.02 0.00 0.00 176.95 177.00 1xfd s ASN 169 N -1.78 3.49 0.39 2.95 3.84 -1.22 -2.96 114.94 119.66 1xfd s ASN 169 Ca 0.70 -3.08 0.24 0.00 0.21 0.00 0.00 52.86 50.93 1xfd s ASN 169 Cb -0.22 -1.08 1.36 0.00 -0.55 0.00 0.00 41.25 40.76 1xfd s ASN 169 CO 0.26 -0.19 1.59 0.58 -2.79 0.00 0.00 177.10 176.55 1xfd h VAL 170 N 4.88 0.05 -0.67 -5.21 2.07 -1.83 -0.45 116.25 115.07 1xfd h VAL 170 Ca 0.09 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 1xfd h VAL 170 Cb 0.87 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 1xfd h VAL 170 CO 0.53 0.01 0.24 -0.33 0.02 0.00 0.00 177.57 178.04 1xfd h GLU 171 N 0.04 1.01 -1.77 1.57 5.08 -1.95 -3.36 114.58 115.19 1xfd h GLU 171 Ca 0.84 -0.18 -0.49 0.00 -1.00 0.00 0.00 59.36 58.53 1xfd h GLU 171 Cb 2.36 -0.16 -0.33 0.00 0.50 0.00 0.00 28.75 31.11 1xfd h GLU 171 CO -0.65 0.84 -0.93 2.41 -1.00 0.00 0.00 179.01 179.68 1xfd n THR 172 N -4.28 -0.72 0.00 1.13 -1.04 -0.23 -5.05 114.28 104.09 1xfd n THR 172 Ca 0.06 -3.22 0.00 0.00 -2.04 0.00 0.00 64.05 58.85 1xfd n THR 172 Cb 0.20 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.56 1xfd n THR 172 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1xfd n ASN 173 N 2.05 0.00 -3.43 8.00 4.13 -0.92 -4.79 115.26 120.30 1xfd n ASN 173 Ca 0.22 0.00 -0.26 0.00 1.68 0.00 0.00 54.58 56.22 1xfd n ASN 173 Cb 0.53 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.68 1xfd n ASN 173 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1xfd n THR 174 N 0.00 0.05 -2.74 3.41 -1.04 -1.23 -4.93 114.28 107.80 1xfd n THR 174 Ca 0.00 -4.16 -0.43 0.00 -2.04 0.00 0.00 64.05 57.42 1xfd n THR 174 Cb 0.00 -1.92 -0.02 0.00 -1.82 0.00 0.00 70.33 66.58 1xfd n THR 174 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1xfd s SER 175 N -1.01 6.73 1.16 8.00 1.04 -1.25 -3.41 113.70 124.96 1xfd s SER 175 Ca 0.33 -2.14 -0.10 0.00 0.48 0.00 0.00 55.95 54.52 1xfd s SER 175 Cb 0.08 -2.49 0.15 0.00 0.10 0.00 0.00 66.02 63.86 1xfd s SER 175 CO -0.14 -1.16 0.41 0.41 0.98 0.00 0.00 173.24 173.75 1xfd n THR 176 N 5.94 0.00 -4.22 2.02 -1.04 -0.80 -4.63 114.28 111.56 1xfd n THR 176 Ca 0.35 -0.09 -0.31 0.00 -2.04 0.00 0.00 64.05 61.96 1xfd n THR 176 Cb 0.48 -0.73 -0.16 0.00 -1.82 0.00 0.00 70.33 68.10 1xfd n THR 176 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xfd s VAL 177 N -1.64 1.73 -0.26 12.58 1.01 -1.26 -2.55 120.40 130.00 1xfd s VAL 177 Ca 0.29 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.45 1xfd s VAL 177 Cb -0.04 -1.58 -0.15 0.00 0.00 0.00 0.00 36.38 34.61 1xfd s VAL 177 CO 0.24 0.48 -0.24 0.18 0.00 0.00 0.00 175.10 175.76 1xfd n LEU 178 N 4.53 2.38 -4.02 3.92 4.32 0.15 -4.97 117.00 123.32 1xfd n LEU 178 Ca -0.19 0.15 -0.08 0.00 -0.02 0.00 0.00 56.01 55.87 1xfd n LEU 178 Cb 0.50 -0.88 -0.11 0.00 -1.62 0.00 0.00 43.42 41.32 1xfd n LEU 178 CO 0.24 0.71 -0.35 -0.63 -1.22 0.00 0.00 177.39 176.14 1xfd s ILE 179 N -2.51 0.15 0.04 -0.08 -1.09 -0.41 -4.51 121.20 112.81 1xfd s ILE 179 Ca -0.36 -1.27 0.00 0.00 -2.23 0.00 0.00 60.65 56.79 1xfd s ILE 179 Cb 0.12 -0.79 -0.00 0.00 -1.58 0.00 0.00 42.46 40.20 1xfd s ILE 179 CO 0.55 -0.70 0.01 -1.84 -1.23 0.00 0.00 174.94 171.73 1xfd n GLU 180 N 0.96 0.97 -0.05 2.79 0.28 -1.26 0.11 120.64 124.45 1xfd n GLU 180 Ca -0.20 -0.37 0.00 0.00 -0.16 0.00 0.00 57.16 56.43 1xfd n GLU 180 Cb 0.58 0.19 0.00 0.00 1.43 0.00 0.00 31.44 33.64 1xfd n GLU 180 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xfd n GLY 181 N 2.19 0.63 0.92 -1.84 0.00 -1.26 -2.15 105.19 103.68 1xfd n GLY 181 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1xfd n GLY 181 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xfd n LYS 182 N 1.66 2.14 0.11 1.61 -0.00 -1.26 -3.89 118.16 118.53 1xfd n LYS 182 Ca 0.00 -1.90 -0.23 0.00 -0.00 0.00 0.00 58.31 56.19 1xfd n LYS 182 Cb 0.07 -1.43 -0.14 0.00 -0.00 0.00 0.00 35.03 33.53 1xfd n LYS 182 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1xfd h LYS 183 N 4.31 0.59 -0.86 -1.58 1.57 -1.81 -2.74 116.57 116.04 1xfd h LYS 183 Ca 0.00 -0.84 0.08 0.00 -1.87 0.00 0.00 60.65 58.02 1xfd h LYS 183 Cb 0.93 0.29 -0.06 0.00 0.08 0.00 0.00 32.23 33.46 1xfd h LYS 183 CO 0.00 1.39 0.56 0.82 -0.57 0.00 0.00 179.45 181.65 1xfd h ILE 184 N 0.23 1.00 0.15 1.86 2.04 -1.84 -1.76 117.51 119.19 1xfd h ILE 184 Ca -0.20 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1xfd h ILE 184 Cb 1.99 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1xfd h ILE 184 CO 0.25 0.16 -0.32 -0.08 0.00 0.00 0.00 178.15 178.16 1xfd h GLU 185 N 0.89 -0.50 -4.78 2.37 4.81 -1.66 -1.71 114.58 114.00 1xfd h GLU 185 Ca 0.39 0.03 -0.61 0.00 -0.13 0.00 0.00 59.36 59.04 1xfd h GLU 185 Cb 0.34 0.11 0.11 0.00 0.63 0.00 0.00 28.75 29.95 1xfd h GLU 185 CO -0.16 -0.33 1.74 0.43 -0.73 0.00 0.00 179.01 179.96 1xfd n SER 186 N -4.29 1.60 -3.81 1.04 7.64 -0.68 -4.32 113.62 110.80 1xfd n SER 186 Ca -0.06 -2.57 -0.19 0.00 1.01 0.00 0.00 58.87 57.06 1xfd n SER 186 Cb 0.26 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.72 1xfd n SER 186 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1xfd n LEU 187 N 8.37 -0.08 -3.64 -3.43 7.94 -1.20 -0.22 117.00 124.74 1xfd n LEU 187 Ca 0.48 -0.55 -0.22 0.00 -1.11 0.00 0.00 56.01 54.61 1xfd n LEU 187 Cb 0.41 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.70 1xfd n LEU 187 CO 1.13 0.33 -0.22 -1.14 -1.11 0.00 0.00 177.39 176.38 1xfd n ARG 188 N -2.66 -1.34 -1.66 1.96 0.63 -0.65 -4.45 116.66 108.49 1xfd n ARG 188 Ca -0.06 0.64 -0.50 0.00 -0.92 0.00 0.00 57.85 57.01 1xfd n ARG 188 Cb 0.24 -1.91 -0.05 0.00 0.45 0.00 0.00 32.46 31.19 1xfd n ARG 188 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1xfd n ALA 189 N -2.37 0.38 -0.04 5.13 0.00 0.69 -4.69 120.51 119.61 1xfd n ALA 189 Ca -0.29 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 1xfd n ALA 189 Cb 0.61 -2.31 0.02 0.00 0.00 0.00 0.00 19.45 17.76 1xfd n ALA 189 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1xfd h ILE 190 N 4.42 1.30 -3.25 0.00 5.03 -0.50 -3.46 117.51 121.05 1xfd h ILE 190 Ca -0.47 -1.74 -0.42 0.00 -0.12 0.00 0.00 64.86 62.11 1xfd h ILE 190 Cb 1.29 1.67 -0.16 0.00 -3.03 0.00 0.00 36.82 36.59 1xfd h ILE 190 CO 0.90 0.55 -0.74 -0.60 -0.68 0.00 0.00 178.15 177.58 1xfd s ARG 191 N -4.10 1.17 0.02 2.37 3.52 -1.16 -5.01 118.95 115.76 1xfd s ARG 191 Ca -0.09 -1.43 -0.25 0.00 -0.13 0.00 0.00 55.73 53.83 1xfd s ARG 191 Cb 0.11 -0.98 0.06 0.00 -1.56 0.00 0.00 34.95 32.58 1xfd s ARG 191 CO 0.86 0.17 0.58 1.52 -0.81 0.00 0.00 175.30 177.62 1xfd s TYR 192 N -2.67 -0.52 -0.20 5.12 -0.85 -1.25 -0.80 117.35 116.19 1xfd s TYR 192 Ca 0.16 0.70 -0.08 0.00 -0.52 0.00 0.00 57.07 57.33 1xfd s TYR 192 Cb -0.02 0.38 0.08 0.00 0.38 0.00 0.00 41.96 42.78 1xfd s TYR 192 CO 0.04 -0.64 0.43 -2.00 -1.52 0.00 0.00 175.55 171.86 1xfd s GLU 193 N -2.05 0.36 0.30 -3.49 2.12 0.11 -4.93 118.70 111.11 1xfd s GLU 193 Ca -0.07 0.99 -0.28 0.00 0.36 0.00 0.00 54.97 55.96 1xfd s GLU 193 Cb -0.01 0.24 -0.09 0.00 0.26 0.00 0.00 34.13 34.53 1xfd s GLU 193 CO 0.02 -0.22 1.08 0.96 -0.54 0.00 0.00 175.26 176.55 1xfd s ILE 194 N 2.26 3.57 0.93 -3.70 -5.25 -1.26 0.77 121.20 118.53 1xfd s ILE 194 Ca -0.04 1.51 -0.12 0.00 -0.99 0.00 0.00 60.65 61.01 1xfd s ILE 194 Cb -0.11 -3.93 0.15 0.00 2.95 0.00 0.00 42.46 41.52 1xfd s ILE 194 CO -0.13 0.30 1.10 -0.94 -1.79 0.00 0.00 174.94 173.48 1xfd s SER 195 N -1.03 3.20 0.10 4.36 1.04 0.01 -4.91 113.70 116.47 1xfd s SER 195 Ca 0.47 1.25 -0.17 0.00 0.48 0.00 0.00 55.95 57.98 1xfd s SER 195 Cb -0.30 -1.91 -0.06 0.00 0.10 0.00 0.00 66.02 63.86 1xfd s SER 195 CO 0.38 -2.78 1.53 1.55 0.98 0.00 0.00 173.24 174.90 1xfd h PRO 196 N -1.65 0.57 0.00 4.02 0.13 -1.84 -2.32 132.00 130.91 1xfd h PRO 196 Ca -0.52 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.42 1xfd h PRO 196 Cb 1.31 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xfd h PRO 196 CO 0.58 0.72 0.00 -0.40 -0.23 0.00 0.00 178.00 178.67 1xfd n ASP 197 N -4.52 0.00 -2.52 1.44 3.85 -0.27 -4.83 116.55 109.70 1xfd n ASP 197 Ca -0.02 -1.25 -0.10 0.00 -0.71 0.00 0.00 54.79 52.71 1xfd n ASP 197 Cb 0.28 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.05 1xfd n ASP 197 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1xfd n ARG 198 N -0.51 -2.50 0.00 0.11 1.74 -0.87 -4.80 116.66 109.83 1xfd n ARG 198 Ca 0.00 0.42 0.05 0.00 -0.77 0.00 0.00 57.85 57.56 1xfd n ARG 198 Cb 0.00 -5.00 0.00 0.00 -1.02 0.00 0.00 32.46 26.44 1xfd n ARG 198 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1xfd n GLU 199 N -2.77 1.92 -4.06 5.56 1.02 -1.26 -4.73 120.64 116.31 1xfd n GLU 199 Ca -0.10 -0.67 -0.10 0.00 -0.02 0.00 0.00 57.16 56.27 1xfd n GLU 199 Cb 0.58 -1.11 -0.08 0.00 -0.02 0.00 0.00 31.44 30.80 1xfd n GLU 199 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1xfd s TYR 200 N -1.39 0.66 0.01 -0.32 1.51 -1.26 -0.98 117.35 115.57 1xfd s TYR 200 Ca 0.09 -0.98 0.01 0.00 -1.01 0.00 0.00 57.07 55.18 1xfd s TYR 200 Cb 0.09 -0.18 -0.01 0.00 -0.11 0.00 0.00 41.96 41.75 1xfd s TYR 200 CO 0.26 -0.75 -0.03 0.00 -1.11 0.00 0.00 175.55 173.92 1xfd s ALA 201 N -4.05 0.21 -0.23 3.71 0.00 -0.41 -0.81 121.76 120.18 1xfd s ALA 201 Ca 0.26 -0.29 -0.08 0.00 0.00 0.00 0.00 51.96 51.85 1xfd s ALA 201 Cb 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1xfd s ALA 201 CO 0.06 -0.01 0.09 -1.17 0.00 0.00 0.00 175.76 174.73 1xfd s LEU 202 N -0.57 3.72 -0.03 0.00 0.20 0.23 -2.67 118.68 119.56 1xfd s LEU 202 Ca -0.04 -0.05 0.07 0.00 0.69 0.00 0.00 54.13 54.80 1xfd s LEU 202 Cb -0.04 -1.98 -0.02 0.00 -0.43 0.00 0.00 46.19 43.72 1xfd s LEU 202 CO -0.00 0.05 -0.25 -0.36 -0.29 0.00 0.00 176.35 175.50 1xfd s PHE 203 N 1.13 2.29 -0.03 5.38 0.08 0.18 0.08 117.98 127.10 1xfd s PHE 203 Ca 0.05 -0.50 0.07 0.00 0.12 0.00 0.00 56.93 56.67 1xfd s PHE 203 Cb -0.14 -1.48 -0.01 0.00 -0.57 0.00 0.00 43.02 40.81 1xfd s PHE 203 CO 0.04 -0.08 -0.23 -1.54 -0.10 0.00 0.00 175.22 173.31 1xfd s SER 204 N -0.48 2.73 0.09 1.36 1.04 0.02 -0.80 113.70 117.67 1xfd s SER 204 Ca 0.06 -0.43 -0.02 0.00 0.48 0.00 0.00 55.95 56.04 1xfd s SER 204 Cb -0.11 -0.47 -0.04 0.00 0.10 0.00 0.00 66.02 65.51 1xfd s SER 204 CO 0.00 0.26 0.03 -0.72 0.98 0.00 0.00 173.24 173.79 1xfd s TYR 205 N -0.38 0.67 -1.51 5.02 1.13 -0.64 0.23 117.35 121.88 1xfd s TYR 205 Ca 0.04 -1.12 -0.11 0.00 -1.41 0.00 0.00 57.07 54.46 1xfd s TYR 205 Cb -0.10 -0.41 0.08 0.00 -1.10 0.00 0.00 41.96 40.42 1xfd s TYR 205 CO 0.01 -0.47 0.90 -1.71 -2.51 0.00 0.00 175.55 171.77 1xfd n ASN 206 N -0.01 -3.90 -4.73 -0.18 2.85 -1.26 -1.74 115.26 106.28 1xfd n ASN 206 Ca -0.10 -0.82 -0.41 0.00 -0.11 0.00 0.00 54.58 53.15 1xfd n ASN 206 Cb 0.62 -3.77 -0.04 0.00 1.24 0.00 0.00 39.78 37.84 1xfd n ASN 206 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1xfd s VAL 207 N -3.39 3.76 -0.11 3.44 1.01 -1.26 -4.52 120.40 119.33 1xfd s VAL 207 Ca 0.54 1.46 0.01 0.00 0.00 0.00 0.00 61.98 63.98 1xfd s VAL 207 Cb -0.27 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1xfd s VAL 207 CO 0.84 0.22 -0.14 -0.70 0.00 0.00 0.00 175.10 175.32 1xfd s GLU 208 N -0.08 3.18 0.37 2.72 2.56 -1.12 -4.97 118.70 121.36 1xfd s GLU 208 Ca 0.52 -0.71 -0.25 0.00 0.00 0.00 0.00 54.97 54.54 1xfd s GLU 208 Cb -0.31 -2.55 -0.09 0.00 2.00 0.00 0.00 34.13 33.18 1xfd s GLU 208 CO 0.35 0.29 1.05 -2.14 -0.56 0.00 0.00 175.26 174.25 1xfd s PRO 209 N 0.14 4.29 0.00 4.30 0.02 -1.26 -4.33 135.00 138.16 1xfd s PRO 209 Ca -0.07 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.50 1xfd s PRO 209 Cb -0.15 -2.69 0.00 0.00 0.02 0.00 0.00 34.50 31.68 1xfd s PRO 209 CO 0.05 -0.04 0.00 -0.89 -0.33 0.00 0.00 177.00 175.79 1xfd n ILE 210 N 0.23 0.00 0.00 2.83 5.41 -1.26 -5.04 119.36 121.53 1xfd n ILE 210 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1xfd n ILE 210 Cb 0.49 -0.37 0.00 0.00 -0.71 0.00 0.00 39.64 39.05 1xfd n ILE 210 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 1xfd n TYR 211 N -0.21 0.00 0.00 1.39 4.01 -1.26 -5.00 117.16 116.08 1xfd n TYR 211 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1xfd n TYR 211 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1xfd n TYR 211 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1xfd n GLN 212 N 0.00 0.00 -4.83 -0.72 7.27 -1.26 -4.68 117.38 113.16 1xfd n GLN 212 Ca 0.00 0.44 -0.32 0.00 0.07 0.00 0.00 57.00 57.19 1xfd n GLN 212 Cb 0.00 -1.43 -0.17 0.00 2.41 0.00 0.00 30.24 31.06 1xfd n GLN 212 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 1xfd s HIS 213 N -2.71 2.60 -0.47 3.69 3.76 -1.26 -5.08 115.29 115.82 1xfd s HIS 213 Ca 0.00 -1.23 0.06 0.00 -0.15 0.00 0.00 55.06 53.74 1xfd s HIS 213 Cb 0.00 -1.76 0.19 0.00 1.11 0.00 0.00 32.58 32.12 1xfd s HIS 213 CO 0.00 -0.55 0.59 0.45 -0.85 0.00 0.00 174.74 174.38 1xfd n SER 214 N 3.90 -2.06 -4.56 1.40 2.88 -1.26 -4.46 113.62 109.46 1xfd n SER 214 Ca -0.20 -2.74 -0.13 0.00 -1.33 0.00 0.00 58.87 54.47 1xfd n SER 214 Cb 0.52 0.75 -0.09 0.00 -0.75 0.00 0.00 64.21 64.64 1xfd n SER 214 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xfd n TYR 215 N 2.66 1.06 -3.51 0.66 0.18 -1.26 -4.42 117.16 112.53 1xfd n TYR 215 Ca 0.22 -0.06 -0.29 0.00 1.88 0.00 0.00 57.90 59.65 1xfd n TYR 215 Cb 0.54 -2.57 -0.12 0.00 -0.38 0.00 0.00 39.34 36.81 1xfd n TYR 215 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 1xfd s THR 216 N 15.27 0.41 0.00 -3.48 -1.32 -1.26 -3.91 115.64 121.35 1xfd s THR 216 Ca 0.90 -1.92 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1xfd s THR 216 Cb -0.12 -1.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.56 1xfd s THR 216 CO 0.12 -0.98 0.00 0.61 -2.21 0.00 0.00 174.62 172.16 1xfd n GLY 217 N 3.89 5.11 3.80 6.08 0.00 -1.11 -2.77 105.19 120.19 1xfd n GLY 217 Ca 0.12 -0.85 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 1xfd n GLY 217 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xfd s TYR 218 N 1.03 3.57 -0.14 1.61 2.02 -0.71 -0.52 117.35 124.21 1xfd s TYR 218 Ca 0.00 0.67 -0.01 0.00 -0.37 0.00 0.00 57.07 57.36 1xfd s TYR 218 Cb 0.00 -2.20 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 1xfd s TYR 218 CO 0.00 0.50 -0.09 0.71 -1.57 0.00 0.00 175.55 175.10 1xfd s TYR 219 N -0.41 2.90 0.03 2.71 1.51 -1.26 -1.62 117.35 121.21 1xfd s TYR 219 Ca 0.18 -0.46 0.06 0.00 -1.01 0.00 0.00 57.07 55.83 1xfd s TYR 219 Cb -0.14 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.81 1xfd s TYR 219 CO 0.06 -0.11 -0.16 0.08 -1.11 0.00 0.00 175.55 174.31 1xfd s VAL 220 N 0.28 1.29 0.12 0.71 1.01 0.02 0.59 120.40 124.41 1xfd s VAL 220 Ca -0.07 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 60.97 1xfd s VAL 220 Cb -0.15 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 1xfd s VAL 220 CO 0.04 0.12 -0.03 -0.76 0.00 0.00 0.00 175.10 174.47 1xfd s LEU 221 N -1.02 3.30 0.07 3.92 1.43 0.75 -0.64 118.68 126.48 1xfd s LEU 221 Ca 0.04 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 52.64 1xfd s LEU 221 Cb -0.08 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.16 1xfd s LEU 221 CO 0.01 0.15 0.49 -0.55 0.23 0.00 0.00 176.35 176.69 1xfd s SER 222 N -2.44 -0.40 0.35 2.29 0.15 -1.09 -0.46 113.70 112.10 1xfd s SER 222 Ca 0.25 0.05 -0.22 0.00 0.70 0.00 0.00 55.95 56.73 1xfd s SER 222 Cb -0.11 0.49 -0.10 0.00 -1.71 0.00 0.00 66.02 64.59 1xfd s SER 222 CO 0.17 -0.76 0.90 -0.54 1.20 0.00 0.00 173.24 174.21 1xfd s LYS 223 N -2.80 4.37 0.21 5.44 1.02 -1.26 -1.29 119.74 125.43 1xfd s LYS 223 Ca -0.03 1.14 -0.18 0.00 0.02 0.00 0.00 55.97 56.91 1xfd s LYS 223 Cb -0.00 -2.56 0.20 0.00 -0.52 0.00 0.00 37.83 34.95 1xfd s LYS 223 CO -0.05 0.18 1.57 0.97 -0.92 0.00 0.00 175.35 177.10 1xfd h ILE 224 N 2.33 0.10 0.00 2.17 6.09 -1.34 -3.13 117.51 123.72 1xfd h ILE 224 Ca -0.48 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 1xfd h ILE 224 Cb 1.19 0.10 0.00 0.00 0.47 0.00 0.00 36.82 38.57 1xfd h ILE 224 CO 0.64 0.00 0.00 -2.65 -3.07 0.00 0.00 178.15 173.07 1xfd n PRO 225 N -5.46 0.00 -3.79 2.19 -0.02 -1.26 -4.59 135.00 122.06 1xfd n PRO 225 Ca 0.08 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1xfd n PRO 225 Cb 0.38 -1.37 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1xfd n PRO 225 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1xfd s HIS 226 N -2.51 -0.01 0.00 6.00 -3.43 -1.18 -4.72 115.29 109.43 1xfd s HIS 226 Ca 0.00 -0.18 0.00 0.00 -0.80 0.00 0.00 55.06 54.08 1xfd s HIS 226 Cb 0.00 0.59 0.00 0.00 -1.43 0.00 0.00 32.58 31.74 1xfd s HIS 226 CO 0.00 -0.47 0.00 0.41 -2.00 0.00 0.00 174.74 172.68 1xfd n GLY 227 N -0.65 -2.47 2.93 -1.38 0.00 -1.26 -4.75 105.19 97.61 1xfd n GLY 227 Ca -0.04 -1.31 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 1xfd n GLY 227 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xfd n ASP 228 N -1.34 -7.83 -4.83 1.61 9.92 -1.26 -4.10 116.55 108.72 1xfd n ASP 228 Ca 0.00 0.35 -0.31 0.00 -0.53 0.00 0.00 54.79 54.30 1xfd n ASP 228 Cb 0.00 -5.25 0.05 0.00 -0.64 0.00 0.00 41.12 35.28 1xfd n ASP 228 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1xfd s PRO 229 N -2.73 2.86 -0.12 -0.24 0.04 -1.26 -4.56 135.00 128.99 1xfd s PRO 229 Ca 0.19 0.79 -0.07 0.00 0.04 0.00 0.00 61.00 61.94 1xfd s PRO 229 Cb -0.05 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1xfd s PRO 229 CO 0.77 -1.11 0.30 -1.14 0.04 0.00 0.00 177.00 175.86 1xfd s GLN 230 N -5.13 0.28 0.18 4.56 2.00 0.39 -4.93 119.66 117.01 1xfd s GLN 230 Ca 0.58 0.56 -0.31 0.00 -2.00 0.00 0.00 55.36 54.19 1xfd s GLN 230 Cb -0.13 -0.03 -0.09 0.00 0.80 0.00 0.00 33.01 33.56 1xfd s GLN 230 CO 0.54 -0.13 1.42 -1.12 -0.50 0.00 0.00 175.29 175.50 1xfd s SER 231 N 1.01 6.75 -0.71 6.67 0.01 -1.26 -0.18 113.70 125.98 1xfd s SER 231 Ca -0.07 2.49 -0.16 0.00 1.31 0.00 0.00 55.95 59.53 1xfd s SER 231 Cb -0.08 -2.60 0.17 0.00 0.21 0.00 0.00 66.02 63.72 1xfd s SER 231 CO -0.07 -0.67 0.70 -0.22 0.41 0.00 0.00 173.24 173.38 1xfd s LEU 232 N 0.44 6.30 0.18 2.44 2.96 0.20 -4.89 118.68 126.31 1xfd s LEU 232 Ca 0.62 -2.21 0.11 0.00 -0.22 0.00 0.00 54.13 52.44 1xfd s LEU 232 Cb -0.39 -2.23 -0.04 0.00 0.50 0.00 0.00 46.19 44.02 1xfd s LEU 232 CO 0.36 -0.76 -0.24 -1.81 -1.32 0.00 0.00 176.35 172.57 1xfd s ASP 233 N 2.91 3.45 1.36 3.68 1.11 -1.26 -4.56 116.67 123.35 1xfd s ASP 233 Ca 0.13 -0.82 -0.21 0.00 0.18 0.00 0.00 52.55 51.83 1xfd s ASP 233 Cb -0.18 -0.27 0.34 0.00 1.07 0.00 0.00 42.92 43.89 1xfd s ASP 233 CO -0.03 0.14 0.97 -2.16 1.18 0.00 0.00 175.17 175.27 1xfd s PRO 234 N -2.52 -2.47 0.05 8.23 0.04 -1.26 -4.90 135.00 132.17 1xfd s PRO 234 Ca 0.19 0.13 -0.31 0.00 0.04 0.00 0.00 61.00 61.06 1xfd s PRO 234 Cb -0.08 -1.43 -0.05 0.00 0.04 0.00 0.00 34.50 32.97 1xfd s PRO 234 CO 0.09 -4.57 1.21 -1.25 0.04 0.00 0.00 177.00 172.52 1xfd s PRO 235 N -5.11 4.41 0.00 0.56 0.04 -1.26 -3.36 135.00 130.28 1xfd s PRO 235 Ca 0.69 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1xfd s PRO 235 Cb -0.13 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1xfd s PRO 235 CO 0.58 -0.29 0.00 0.39 0.04 0.00 0.00 177.00 177.71 1xfd n GLU 236 N 4.12 0.00 -3.94 4.56 -0.58 -1.26 -5.01 120.64 118.54 1xfd n GLU 236 Ca 0.09 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.48 1xfd n GLU 236 Cb 0.46 -1.93 -0.06 0.00 -0.57 0.00 0.00 31.44 29.35 1xfd n GLU 236 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1xfd s VAL 237 N -2.85 5.35 0.00 2.62 1.01 -1.21 -5.11 120.40 120.21 1xfd s VAL 237 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1xfd s VAL 237 Cb 0.00 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 33.01 1xfd s VAL 237 CO 0.00 0.53 0.00 -0.24 0.00 0.00 0.00 175.10 175.39 1xfd n SER 238 N 1.68 -0.00 -4.54 3.32 2.88 -1.26 -4.46 113.62 111.24 1xfd n SER 238 Ca -0.17 -0.02 -0.17 0.00 -1.33 0.00 0.00 58.87 57.18 1xfd n SER 238 Cb 0.54 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.87 1xfd n SER 238 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1xfd n ASN 239 N -0.07 0.57 -4.20 -3.46 2.85 -1.26 -4.80 115.26 104.88 1xfd n ASN 239 Ca 0.00 -1.13 -0.24 0.00 -0.11 0.00 0.00 54.58 53.10 1xfd n ASN 239 Cb 0.00 -1.23 -0.14 0.00 1.24 0.00 0.00 39.78 39.65 1xfd n ASN 239 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xfd s ALA 240 N 9.24 1.53 0.57 5.20 0.00 -1.26 -5.13 121.76 131.90 1xfd s ALA 240 Ca 1.08 -0.94 -0.20 0.00 0.00 0.00 0.00 51.96 51.90 1xfd s ALA 240 Cb -0.41 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.38 1xfd s ALA 240 CO 0.27 0.33 1.27 0.15 0.00 0.00 0.00 175.76 177.78 1xfd s LYS 241 N -1.05 3.06 0.10 0.00 1.02 -1.26 -4.76 119.74 116.85 1xfd s LYS 241 Ca 0.06 2.00 0.09 0.00 0.02 0.00 0.00 55.97 58.14 1xfd s LYS 241 Cb -0.08 -2.09 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 1xfd s LYS 241 CO 0.01 -1.18 -0.21 -0.51 -0.92 0.00 0.00 175.35 172.54 1xfd s LEU 242 N -3.80 2.55 0.38 3.17 1.43 0.32 -4.91 118.68 117.82 1xfd s LEU 242 Ca 0.75 -0.59 0.22 0.00 -1.03 0.00 0.00 54.13 53.48 1xfd s LEU 242 Cb -0.35 -1.44 0.26 0.00 0.03 0.00 0.00 46.19 44.69 1xfd s LEU 242 CO 0.39 0.19 1.49 1.56 0.23 0.00 0.00 176.35 180.21 1xfd h GLN 243 N 3.95 0.00 -1.26 1.70 4.20 -1.10 -2.93 115.11 119.67 1xfd h GLN 243 Ca -0.50 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.41 1xfd h GLN 243 Cb 1.17 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.69 1xfd h GLN 243 CO 0.44 0.02 0.81 -0.47 -0.67 0.00 0.00 178.83 178.97 1xfd s TYR 244 N -3.23 -0.15 0.00 2.96 6.14 -1.22 -4.30 117.35 117.55 1xfd s TYR 244 Ca 0.05 0.24 0.00 0.00 0.64 0.00 0.00 57.07 58.01 1xfd s TYR 244 Cb 0.06 0.48 0.00 0.00 0.42 0.00 0.00 41.96 42.92 1xfd s TYR 244 CO 0.70 -0.15 0.00 0.00 0.64 0.00 0.00 175.55 176.74 1xfd n ALA 245 N 0.52 0.53 -1.37 3.97 0.00 -1.26 -0.90 120.51 121.99 1xfd n ALA 245 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xfd n ALA 245 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1xfd n ALA 245 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfd n GLY 246 N 3.60 -4.23 3.88 0.00 0.00 -1.26 -4.18 105.19 103.01 1xfd n GLY 246 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.90 1xfd n GLY 246 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xfd s TRP 247 N -4.00 3.48 0.06 1.61 0.52 -1.26 -3.22 118.94 116.13 1xfd s TRP 247 Ca 0.00 1.06 -0.01 0.00 0.02 0.00 0.00 56.10 57.17 1xfd s TRP 247 Cb 0.00 -2.46 0.01 0.00 -1.15 0.00 0.00 33.47 29.88 1xfd s TRP 247 CO 0.00 -0.15 0.08 0.41 0.02 0.00 0.00 176.95 177.32 1xfd n GLY 248 N -1.41 -0.86 0.07 0.98 0.00 0.11 -4.91 105.19 99.17 1xfd n GLY 248 Ca 0.03 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 1xfd n GLY 248 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xfd h PRO 249 N 0.00 -0.01 -6.22 1.61 0.11 -1.89 -3.43 132.00 122.16 1xfd h PRO 249 Ca -0.03 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.52 1xfd h PRO 249 Cb 0.08 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 31.09 1xfd h PRO 249 CO 0.02 0.81 -0.64 0.15 -0.21 0.00 0.00 178.00 178.12 1xfd s LYS 250 N -2.58 2.31 7.00 1.05 1.02 -1.26 -4.71 119.74 122.57 1xfd s LYS 250 Ca -0.17 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.44 1xfd s LYS 250 Cb -0.02 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.11 1xfd s LYS 250 CO 0.63 0.37 0.00 0.41 -0.92 0.00 0.00 175.35 175.85 1xfd n GLY 251 N -0.82 2.62 1.09 -3.33 0.00 -1.26 -2.95 105.19 100.53 1xfd n GLY 251 Ca -0.07 0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1xfd n GLY 251 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xfd n GLN 252 N 6.73 0.00 -1.76 1.61 10.64 -1.26 -1.11 117.38 132.23 1xfd n GLN 252 Ca 0.00 -1.28 -0.34 0.00 -1.83 0.00 0.00 57.00 53.55 1xfd n GLN 252 Cb 0.00 0.15 0.05 0.00 -0.86 0.00 0.00 30.24 29.58 1xfd n GLN 252 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1xfd s GLN 253 N 0.00 2.71 0.07 2.61 -2.07 -0.99 -4.44 119.66 117.56 1xfd s GLN 253 Ca 0.13 1.56 -0.26 0.00 -1.82 0.00 0.00 55.36 54.97 1xfd s GLN 253 Cb 0.15 -1.92 0.09 0.00 -1.09 0.00 0.00 33.01 30.23 1xfd s GLN 253 CO -0.07 -1.35 0.75 -0.48 -1.32 0.00 0.00 175.29 172.82 1xfd s LEU 254 N -4.73 -0.46 0.17 2.60 0.05 0.14 0.05 118.68 116.50 1xfd s LEU 254 Ca 0.71 0.00 0.03 0.00 0.05 0.00 0.00 54.13 54.92 1xfd s LEU 254 Cb -0.24 2.30 -0.05 0.00 -2.05 0.00 0.00 46.19 46.15 1xfd s LEU 254 CO 0.40 -0.79 -0.03 0.27 -0.55 0.00 0.00 176.35 175.65 1xfd s ILE 255 N -3.42 0.89 -0.09 1.48 -4.36 -1.20 -1.16 121.20 113.34 1xfd s ILE 255 Ca 0.03 -2.01 -0.17 0.00 -0.26 0.00 0.00 60.65 58.24 1xfd s ILE 255 Cb -0.01 -2.05 0.04 0.00 1.25 0.00 0.00 42.46 41.69 1xfd s ILE 255 CO -0.11 -0.56 0.42 0.72 0.24 0.00 0.00 174.94 175.65 1xfd s PHE 256 N -3.51 -0.38 -0.18 1.37 -0.12 -0.82 -4.13 117.98 110.21 1xfd s PHE 256 Ca 0.22 0.81 -0.05 0.00 -0.05 0.00 0.00 56.93 57.86 1xfd s PHE 256 Cb 0.05 0.17 -0.03 0.00 -0.63 0.00 0.00 43.02 42.58 1xfd s PHE 256 CO 0.03 -0.34 -0.01 0.42 -0.05 0.00 0.00 175.22 175.27 1xfd s ILE 257 N -0.57 4.04 -0.06 -4.49 1.01 -0.08 -1.52 121.20 119.53 1xfd s ILE 257 Ca -0.07 -0.30 0.02 0.00 0.00 0.00 0.00 60.65 60.31 1xfd s ILE 257 Cb -0.04 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.65 1xfd s ILE 257 CO 0.03 0.46 -0.11 0.12 0.00 0.00 0.00 174.94 175.45 1xfd s PHE 258 N 0.60 1.33 -1.44 3.97 5.36 -0.82 -0.53 117.98 126.45 1xfd s PHE 258 Ca -0.01 -0.47 -0.07 0.00 -0.96 0.00 0.00 56.93 55.42 1xfd s PHE 258 Cb -0.14 -0.99 0.01 0.00 -0.34 0.00 0.00 43.02 41.56 1xfd s PHE 258 CO 0.02 -0.25 0.12 -0.85 -1.46 0.00 0.00 175.22 172.80 1xfd n GLU 259 N 3.82 -0.80 -3.01 10.12 0.28 -1.26 -0.93 120.64 128.85 1xfd n GLU 259 Ca -0.23 0.08 -0.22 0.00 -0.16 0.00 0.00 57.16 56.63 1xfd n GLU 259 Cb 0.52 -3.26 0.02 0.00 1.43 0.00 0.00 31.44 30.15 1xfd n GLU 259 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1xfd n ASN 260 N -2.65 -5.30 -4.20 -1.84 4.13 -1.26 -4.22 115.26 99.92 1xfd n ASN 260 Ca -0.28 -0.25 -0.23 0.00 1.68 0.00 0.00 54.58 55.50 1xfd n ASN 260 Cb 0.65 -4.33 -0.14 0.00 -1.54 0.00 0.00 39.78 34.43 1xfd n ASN 260 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1xfd s ASN 261 N -2.60 2.05 -0.25 6.41 0.01 -0.10 -3.10 114.94 117.36 1xfd s ASN 261 Ca 0.28 -0.49 -0.11 0.00 -0.71 0.00 0.00 52.86 51.82 1xfd s ASN 261 Cb -0.13 -0.15 -0.05 0.00 0.41 0.00 0.00 41.25 41.33 1xfd s ASN 261 CO 0.34 0.09 0.20 -0.63 -1.51 0.00 0.00 177.10 175.59 1xfd s ILE 262 N -0.84 5.32 0.02 0.60 1.01 -1.02 -1.94 121.20 124.36 1xfd s ILE 262 Ca 0.04 0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.97 1xfd s ILE 262 Cb -0.08 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.81 1xfd s ILE 262 CO 0.02 0.31 -0.03 -0.31 0.00 0.00 0.00 174.94 174.93 1xfd s TYR 263 N 1.29 2.99 -0.00 3.97 1.51 -0.57 -0.67 117.35 125.86 1xfd s TYR 263 Ca 0.09 0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.21 1xfd s TYR 263 Cb -0.14 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1xfd s TYR 263 CO 0.07 0.43 -0.16 -0.47 -1.11 0.00 0.00 175.55 174.31 1xfd s TYR 264 N -1.10 1.45 -0.15 2.71 5.04 0.69 -1.94 117.35 124.05 1xfd s TYR 264 Ca 0.20 -0.29 -0.03 0.00 -2.44 0.00 0.00 57.07 54.51 1xfd s TYR 264 Cb -0.11 -0.92 0.05 0.00 0.35 0.00 0.00 41.96 41.33 1xfd s TYR 264 CO 0.11 -0.01 0.05 0.00 -1.34 0.00 0.00 175.55 174.36 1xfd h ALA 266 N 8.34 -0.16 -2.68 0.00 0.00 -1.88 0.43 119.26 123.32 1xfd h ALA 266 Ca -0.16 -0.21 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 1xfd h ALA 266 Cb 1.13 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1xfd h ALA 266 CO 0.29 -0.19 -0.27 -1.58 0.00 0.00 0.00 179.25 177.50 1xfd s HIS 267 N -2.73 3.53 0.29 0.00 5.65 -1.26 -2.33 115.29 118.44 1xfd s HIS 267 Ca -0.10 0.69 -0.01 0.00 0.25 0.00 0.00 55.06 55.89 1xfd s HIS 267 Cb -0.00 -2.10 0.46 0.00 -1.18 0.00 0.00 32.58 29.76 1xfd s HIS 267 CO 0.38 0.47 1.93 0.28 -0.65 0.00 0.00 174.74 177.15 1xfd h VAL 268 N 2.48 1.14 0.00 0.89 2.07 -1.88 -2.33 116.25 118.62 1xfd h VAL 268 Ca -0.48 -0.38 -0.16 0.00 0.82 0.00 0.00 66.70 66.51 1xfd h VAL 268 Cb 1.18 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1xfd h VAL 268 CO 0.69 0.20 -0.75 1.23 0.02 0.00 0.00 177.57 178.97 1xfd h GLY 269 N 1.11 0.00 -3.64 2.17 0.00 -1.97 -3.46 103.07 97.27 1xfd h GLY 269 Ca 0.36 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.10 1xfd h GLY 269 CO -0.11 0.00 -0.21 1.17 0.00 0.00 0.00 176.54 177.39 1xfd n LYS 270 N -3.44 0.79 -3.19 4.80 3.00 -0.88 -4.95 118.16 114.29 1xfd n LYS 270 Ca 0.00 0.29 -0.34 0.00 -0.00 0.00 0.00 58.31 58.26 1xfd n LYS 270 Cb 0.78 -1.74 -0.06 0.00 0.00 0.00 0.00 35.03 34.01 1xfd n LYS 270 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1xfd s GLN 271 N -1.89 4.08 0.64 1.64 -2.07 -1.26 -4.88 119.66 115.93 1xfd s GLN 271 Ca 0.65 0.68 -0.18 0.00 -1.82 0.00 0.00 55.36 54.69 1xfd s GLN 271 Cb -0.55 -2.73 -0.01 0.00 -1.09 0.00 0.00 33.01 28.63 1xfd s GLN 271 CO 0.56 0.33 1.29 0.00 -1.32 0.00 0.00 175.29 176.15 1xfd s ALA 272 N -1.68 2.39 -0.05 2.60 0.00 -1.26 -4.78 121.76 118.98 1xfd s ALA 272 Ca 0.46 1.20 0.03 0.00 0.00 0.00 0.00 51.96 53.64 1xfd s ALA 272 Cb -0.14 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1xfd s ALA 272 CO 0.20 -1.55 -0.13 0.42 0.00 0.00 0.00 175.76 174.69 1xfd s ILE 273 N -1.42 1.18 -1.01 0.00 -1.09 -0.42 -4.83 121.20 113.62 1xfd s ILE 273 Ca 0.82 -0.54 -0.23 0.00 -2.23 0.00 0.00 60.65 58.47 1xfd s ILE 273 Cb -0.37 -1.06 0.05 0.00 -1.58 0.00 0.00 42.46 39.50 1xfd s ILE 273 CO 0.39 0.36 1.47 -0.60 -1.23 0.00 0.00 174.94 175.33 1xfd s ARG 274 N 0.40 3.54 0.23 2.79 3.52 -1.26 -0.22 118.95 127.94 1xfd s ARG 274 Ca -0.10 -1.07 -0.07 0.00 -0.13 0.00 0.00 55.73 54.37 1xfd s ARG 274 Cb -0.13 -5.32 0.21 0.00 -1.56 0.00 0.00 34.95 28.15 1xfd s ARG 274 CO 0.03 -2.26 1.82 0.28 -0.81 0.00 0.00 175.30 174.36 1xfd h VAL 275 N 6.80 1.26 -3.77 7.11 2.07 -1.24 -3.42 116.25 125.06 1xfd h VAL 275 Ca 0.19 -0.74 -0.47 0.00 0.82 0.00 0.00 66.70 66.49 1xfd h VAL 275 Cb 1.01 0.23 -0.31 0.00 -1.52 0.00 0.00 31.29 30.69 1xfd h VAL 275 CO 1.42 0.31 -0.80 0.54 0.02 0.00 0.00 177.57 179.06 1xfd s VAL 276 N -5.64 0.97 -0.04 2.57 0.11 -1.08 -5.00 120.40 112.30 1xfd s VAL 276 Ca -0.12 -0.45 0.05 0.00 -2.93 0.00 0.00 61.98 58.53 1xfd s VAL 276 Cb 0.16 -0.86 0.08 0.00 -1.53 0.00 0.00 36.38 34.23 1xfd s VAL 276 CO 0.83 0.30 0.94 -1.54 -3.33 0.00 0.00 175.10 172.30 1xfd n SER 277 N 3.36 1.01 -0.21 3.54 3.41 -1.26 -2.42 113.62 121.04 1xfd n SER 277 Ca -0.19 -2.10 0.02 0.00 -0.26 0.00 0.00 58.87 56.34 1xfd n SER 277 Cb 0.53 -0.19 0.05 0.00 -0.26 0.00 0.00 64.21 64.35 1xfd n SER 277 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xfd n THR 278 N -0.49 0.16 -2.30 6.66 -2.24 -1.26 -4.91 114.28 109.89 1xfd n THR 278 Ca 0.04 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.28 1xfd n THR 278 Cb 0.56 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.84 1xfd n THR 278 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xfd s GLY 279 N -1.00 2.93 -0.22 3.38 0.00 -1.18 -4.86 107.32 106.37 1xfd s GLY 279 Ca 0.08 1.00 -0.04 0.00 0.00 0.00 0.00 44.72 45.75 1xfd s GLY 279 CO 0.05 1.55 0.14 1.25 0.00 0.00 0.00 173.10 176.10 1xfd s LYS 280 N -2.05 0.14 -0.29 2.90 2.20 -0.82 -4.86 119.74 116.96 1xfd s LYS 280 Ca 0.53 -0.14 -0.30 0.00 -0.36 0.00 0.00 55.97 55.70 1xfd s LYS 280 Cb -0.32 -1.45 -0.13 0.00 -1.51 0.00 0.00 37.83 34.42 1xfd s LYS 280 CO 0.41 -0.78 1.00 0.39 -0.36 0.00 0.00 175.35 176.01 1xfd n GLU 281 N 5.28 0.00 -0.59 4.03 -0.58 -1.26 -0.29 120.64 127.23 1xfd n GLU 281 Ca -0.06 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 1xfd n GLU 281 Cb 0.47 -0.97 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 1xfd n GLU 281 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfd n GLY 282 N 2.42 0.71 0.58 0.62 0.00 -1.26 -4.69 105.19 103.57 1xfd n GLY 282 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1xfd n GLY 282 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xfd n VAL 283 N -2.00 0.00 -4.03 1.61 0.31 0.61 -4.64 118.33 110.19 1xfd n VAL 283 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1xfd n VAL 283 Cb 0.00 -0.75 -0.15 0.00 -0.91 0.00 0.00 33.84 32.03 1xfd n VAL 283 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1xfd s ILE 284 N -1.85 2.22 -0.14 2.52 -1.09 0.40 -0.56 121.20 122.71 1xfd s ILE 284 Ca 0.00 -2.11 -0.06 0.00 -2.23 0.00 0.00 60.65 56.24 1xfd s ILE 284 Cb 0.00 -2.55 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 1xfd s ILE 284 CO 0.00 -0.42 0.08 -0.31 -1.23 0.00 0.00 174.94 173.05 1xfd s TYR 285 N 0.97 3.34 -0.09 3.97 1.51 -0.01 -1.95 117.35 125.10 1xfd s TYR 285 Ca 0.05 0.25 -0.03 0.00 -1.01 0.00 0.00 57.07 56.33 1xfd s TYR 285 Cb -0.19 -1.97 0.05 0.00 -0.11 0.00 0.00 41.96 39.73 1xfd s TYR 285 CO -0.07 0.41 0.17 0.54 -1.11 0.00 0.00 175.55 175.49 1xfd s ASN 286 N -0.34 0.65 0.00 2.29 6.03 -1.26 0.15 114.94 122.46 1xfd s ASN 286 Ca 0.09 0.36 0.00 0.00 -1.03 0.00 0.00 52.86 52.28 1xfd s ASN 286 Cb -0.12 0.31 0.00 0.00 -3.03 0.00 0.00 41.25 38.41 1xfd s ASN 286 CO 0.02 -0.24 0.00 0.61 -2.03 0.00 0.00 177.10 175.46 1xfd n GLY 287 N 5.24 2.71 3.18 0.45 0.00 -0.56 -4.65 105.19 111.56 1xfd n GLY 287 Ca -0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.81 1xfd n GLY 287 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xfd s LEU 288 N 0.00 2.39 0.71 0.99 1.43 -1.26 -0.35 118.68 122.59 1xfd s LEU 288 Ca 0.00 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.19 1xfd s LEU 288 Cb 0.00 -0.35 0.01 0.00 0.03 0.00 0.00 46.19 45.89 1xfd s LEU 288 CO 0.00 -0.23 1.07 -0.44 0.23 0.00 0.00 176.35 176.98 1xfd s SER 289 N -2.39 5.38 0.53 2.29 0.01 0.10 -4.76 113.70 114.87 1xfd s SER 289 Ca 0.05 1.35 0.06 0.00 1.31 0.00 0.00 55.95 58.72 1xfd s SER 289 Cb -0.04 -2.21 0.09 0.00 0.21 0.00 0.00 66.02 64.08 1xfd s SER 289 CO 0.01 -1.41 0.71 -0.90 0.41 0.00 0.00 173.24 172.06 1xfd n ASP 290 N -3.08 1.62 0.04 2.44 5.75 -1.26 -4.83 116.55 117.23 1xfd n ASP 290 Ca 0.07 -2.21 -0.07 0.00 -0.01 0.00 0.00 54.79 52.57 1xfd n ASP 290 Cb 0.55 -0.40 -0.04 0.00 -1.03 0.00 0.00 41.12 40.20 1xfd n ASP 290 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1xfd h TRP 291 N -0.07 -0.66 -0.84 2.11 7.01 -1.99 -1.89 115.95 119.62 1xfd h TRP 291 Ca -0.24 0.02 0.19 0.00 2.11 0.00 0.00 58.89 60.97 1xfd h TRP 291 Cb 1.04 0.29 -0.12 0.00 -2.10 0.00 0.00 29.16 28.27 1xfd h TRP 291 CO 0.00 -0.25 0.33 1.25 -2.79 0.00 0.00 178.44 176.98 1xfd h LEU 292 N -0.31 0.26 -1.14 0.65 5.85 -1.96 0.26 115.31 118.93 1xfd h LEU 292 Ca -0.00 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 1xfd h LEU 292 Cb 0.32 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1xfd h LEU 292 CO -0.13 0.02 -0.25 1.88 -0.34 0.00 0.00 178.44 179.61 1xfd h TYR 293 N 0.39 0.32 0.09 1.25 -1.99 -1.87 0.11 116.97 115.27 1xfd h TYR 293 Ca 0.51 -0.06 -0.14 0.00 2.00 0.00 0.00 58.73 61.04 1xfd h TYR 293 Cb 0.91 -0.08 0.02 0.00 2.00 0.00 0.00 36.73 39.57 1xfd h TYR 293 CO -0.17 0.53 -0.59 1.49 -0.00 0.00 0.00 178.16 179.42 1xfd h GLU 294 N 0.26 0.24 0.17 4.88 4.81 -0.28 0.82 114.58 125.49 1xfd h GLU 294 Ca 0.04 -0.38 -0.30 0.00 -0.13 0.00 0.00 59.36 58.59 1xfd h GLU 294 Cb 0.59 0.14 0.02 0.00 0.63 0.00 0.00 28.75 30.13 1xfd h GLU 294 CO 0.04 1.16 -1.32 1.49 -0.73 0.00 0.00 179.01 179.65 1xfd h GLU 295 N -0.49 0.41 0.00 1.92 4.57 -1.04 -2.92 114.58 117.03 1xfd h GLU 295 Ca -0.10 -0.67 -0.09 0.00 -1.18 0.00 0.00 59.36 57.32 1xfd h GLU 295 Cb 1.44 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 30.26 1xfd h GLU 295 CO 0.11 1.31 -1.09 -1.91 -1.18 0.00 0.00 179.01 176.26 1xfd n GLU 296 N -3.63 0.15 0.01 1.92 4.07 -0.03 -4.74 120.64 118.39 1xfd n GLU 296 Ca -0.12 0.06 -0.15 0.00 -0.06 0.00 0.00 57.16 56.90 1xfd n GLU 296 Cb 1.04 -0.75 -0.14 0.00 -0.06 0.00 0.00 31.44 31.53 1xfd n GLU 296 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 1xfd h ILE 297 N -0.26 0.85 0.00 6.31 -0.00 -1.49 -3.41 117.51 119.51 1xfd h ILE 297 Ca -0.13 -2.61 -0.12 0.00 -0.00 0.00 0.00 64.86 61.99 1xfd h ILE 297 Cb 0.91 2.53 -0.02 0.00 -0.00 0.00 0.00 36.82 40.24 1xfd h ILE 297 CO -0.08 0.71 -1.90 0.18 -0.00 0.00 0.00 178.15 177.06 1xfd n LEU 298 N -3.29 0.00 -1.82 0.16 4.77 0.28 -4.81 117.00 112.30 1xfd n LEU 298 Ca -0.22 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.59 1xfd n LEU 298 Cb 1.05 0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 42.28 1xfd n LEU 298 CO 0.45 0.17 -0.21 0.29 -1.33 0.00 0.00 177.39 176.76 1xfd n LYS 299 N -2.30 -1.34 -3.58 3.23 4.76 -1.03 -4.98 118.16 112.93 1xfd n LYS 299 Ca -0.13 0.90 -0.13 0.00 -2.87 0.00 0.00 58.31 56.09 1xfd n LYS 299 Cb 0.69 -5.31 -0.05 0.00 -1.84 0.00 0.00 35.03 28.52 1xfd n LYS 299 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1xfd s THR 300 N -2.81 0.04 -0.13 -0.18 2.01 -1.19 -5.00 115.64 108.38 1xfd s THR 300 Ca 0.00 -0.32 0.17 0.00 0.31 0.00 0.00 61.69 61.85 1xfd s THR 300 Cb 0.00 -1.02 -0.12 0.00 0.01 0.00 0.00 72.50 71.37 1xfd s THR 300 CO 0.00 -0.18 0.85 1.57 -0.69 0.00 0.00 174.62 176.18 1xfd n HIS 301 N 0.15 1.00 -2.63 4.92 -0.00 -1.26 -4.05 115.22 113.35 1xfd n HIS 301 Ca -0.18 0.33 -0.42 0.00 0.46 0.00 0.00 57.72 57.91 1xfd n HIS 301 Cb 0.62 -1.08 -0.03 0.00 -0.12 0.00 0.00 29.99 29.38 1xfd n HIS 301 CO 0.00 0.00 0.00 -1.50 0.46 0.00 0.00 176.34 175.30 1xfd s ILE 302 N -2.97 4.64 -0.34 3.57 -1.16 -1.26 0.02 121.20 123.70 1xfd s ILE 302 Ca -0.03 1.91 0.15 0.00 -0.51 0.00 0.00 60.65 62.18 1xfd s ILE 302 Cb 0.09 -4.23 0.46 0.00 0.61 0.00 0.00 42.46 39.39 1xfd s ILE 302 CO 0.81 0.03 1.04 0.00 -2.81 0.00 0.00 174.94 174.01 1xfd n ALA 303 N 4.87 3.82 -2.68 1.50 0.00 0.53 -4.78 120.51 123.77 1xfd n ALA 303 Ca 0.09 -3.41 -0.09 0.00 0.00 0.00 0.00 53.44 50.02 1xfd n ALA 303 Cb 0.48 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 1xfd n ALA 303 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1xfd s HIS 304 N -3.39 0.25 -0.11 0.00 -3.43 -1.22 -0.84 115.29 106.54 1xfd s HIS 304 Ca 0.34 -0.58 -0.05 0.00 -0.80 0.00 0.00 55.06 53.98 1xfd s HIS 304 Cb 0.41 -0.18 0.05 0.00 -1.43 0.00 0.00 32.58 31.44 1xfd s HIS 304 CO -0.03 -0.34 0.23 -1.58 -2.00 0.00 0.00 174.74 171.02 1xfd s TRP 305 N -2.62 -0.34 0.33 0.38 0.51 0.28 -4.96 118.94 112.53 1xfd s TRP 305 Ca -0.05 0.82 -0.25 0.00 -2.12 0.00 0.00 56.10 54.50 1xfd s TRP 305 Cb -0.01 -0.03 -0.10 0.00 -0.81 0.00 0.00 33.47 32.52 1xfd s TRP 305 CO -0.05 -0.28 0.93 -1.58 -0.51 0.00 0.00 176.95 175.46 1xfd s TRP 306 N 1.83 3.63 0.75 -1.98 0.52 -1.26 -0.60 118.94 121.84 1xfd s TRP 306 Ca -0.04 1.74 -0.12 0.00 0.02 0.00 0.00 56.10 57.70 1xfd s TRP 306 Cb -0.11 -2.89 0.05 0.00 -1.15 0.00 0.00 33.47 29.36 1xfd s TRP 306 CO -0.08 0.17 1.11 -1.54 0.02 0.00 0.00 176.95 176.63 1xfd s SER 307 N -1.70 4.53 0.38 2.95 1.04 0.09 -4.86 113.70 116.12 1xfd s SER 307 Ca 0.52 1.93 0.09 0.00 0.48 0.00 0.00 55.95 58.96 1xfd s SER 307 Cb -0.17 -2.54 0.85 0.00 0.10 0.00 0.00 66.02 64.27 1xfd s SER 307 CO 0.22 -2.02 1.94 -0.65 0.98 0.00 0.00 173.24 173.71 1xfd h PRO 308 N -0.83 0.61 -0.39 4.02 0.11 -1.90 -1.69 132.00 131.94 1xfd h PRO 308 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xfd h PRO 308 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xfd h PRO 308 CO 0.51 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 1xfd n ASP 309 N -4.49 2.13 -2.36 -2.05 3.85 -1.26 -4.81 116.55 107.56 1xfd n ASP 309 Ca 0.12 -1.98 -0.18 0.00 -0.71 0.00 0.00 54.79 52.04 1xfd n ASP 309 Cb 0.34 -0.26 -0.01 0.00 -1.35 0.00 0.00 41.12 39.84 1xfd n ASP 309 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xfd n GLY 310 N 1.14 -0.37 0.09 6.12 0.00 -0.64 -4.84 105.19 106.69 1xfd n GLY 310 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.05 1xfd n GLY 310 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xfd n THR 311 N -3.71 1.20 -4.70 2.61 -1.04 -1.26 -4.83 114.28 102.54 1xfd n THR 311 Ca -0.21 -0.66 -0.28 0.00 -2.04 0.00 0.00 64.05 60.86 1xfd n THR 311 Cb 0.66 -0.74 -0.14 0.00 -1.82 0.00 0.00 70.33 68.29 1xfd n THR 311 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1xfd s ARG 312 N -2.42 1.55 -0.13 -2.82 0.52 -1.26 0.40 118.95 114.79 1xfd s ARG 312 Ca -0.14 -1.08 0.01 0.00 -0.52 0.00 0.00 55.73 54.00 1xfd s ARG 312 Cb 0.06 -1.74 0.02 0.00 0.52 0.00 0.00 34.95 33.80 1xfd s ARG 312 CO 0.65 0.44 -0.15 -1.17 0.02 0.00 0.00 175.30 175.09 1xfd s LEU 313 N -1.36 1.72 -0.07 2.53 2.96 -0.44 -0.74 118.68 123.28 1xfd s LEU 313 Ca 0.10 -0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 53.48 1xfd s LEU 313 Cb -0.10 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 1xfd s LEU 313 CO 0.03 -0.01 0.19 0.00 -1.32 0.00 0.00 176.35 175.24 1xfd s ALA 314 N 1.19 3.87 -0.15 5.97 0.00 0.23 -1.76 121.76 131.12 1xfd s ALA 314 Ca -0.02 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.16 1xfd s ALA 314 Cb -0.14 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 21.01 1xfd s ALA 314 CO -0.05 0.63 0.46 1.52 0.00 0.00 0.00 175.76 178.32 1xfd s TYR 315 N -1.12 -0.48 0.31 0.00 1.13 -0.34 1.00 117.35 117.83 1xfd s TYR 315 Ca 0.20 1.12 -0.21 0.00 -1.41 0.00 0.00 57.07 56.78 1xfd s TYR 315 Cb -0.13 0.18 -0.09 0.00 -1.10 0.00 0.00 41.96 40.82 1xfd s TYR 315 CO 0.09 -0.29 0.83 0.00 -2.51 0.00 0.00 175.55 173.66 1xfd s ALA 316 N -0.06 3.27 -0.26 9.51 0.00 -0.02 -1.72 121.76 132.49 1xfd s ALA 316 Ca -0.03 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1xfd s ALA 316 Cb -0.03 -2.96 0.07 0.00 0.00 0.00 0.00 23.12 20.19 1xfd s ALA 316 CO 0.02 0.25 -0.06 0.00 0.00 0.00 0.00 175.76 175.97 1xfd s ALA 317 N -1.77 2.27 -0.19 0.00 0.00 -0.05 -1.50 121.76 120.52 1xfd s ALA 317 Ca 0.51 -1.64 -0.09 0.00 0.00 0.00 0.00 51.96 50.74 1xfd s ALA 317 Cb -0.14 -1.55 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 1xfd s ALA 317 CO 0.19 -1.26 0.10 0.42 0.00 0.00 0.00 175.76 175.22 1xfd s ILE 318 N 1.24 5.16 -0.32 0.00 1.01 0.40 -1.78 121.20 126.91 1xfd s ILE 318 Ca -0.05 0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 1xfd s ILE 318 Cb -0.19 -3.34 0.04 0.00 0.01 0.00 0.00 42.46 38.98 1xfd s ILE 318 CO -0.07 0.45 0.05 0.21 0.00 0.00 0.00 174.94 175.59 1xfd s ASN 319 N 0.31 5.11 0.00 3.58 3.84 0.12 -0.83 114.94 127.07 1xfd s ASN 319 Ca 0.06 -1.21 0.23 0.00 0.21 0.00 0.00 52.86 52.15 1xfd s ASN 319 Cb -0.12 -1.79 0.48 0.00 -0.55 0.00 0.00 41.25 39.27 1xfd s ASN 319 CO -0.01 -0.30 1.43 0.47 -2.79 0.00 0.00 177.10 175.91 1xfd n ASP 320 N 4.72 3.42 -0.33 -4.21 8.00 0.28 -1.00 116.55 127.42 1xfd n ASP 320 Ca -0.13 -1.98 0.14 0.00 0.71 0.00 0.00 54.79 53.54 1xfd n ASP 320 Cb 0.44 -0.28 0.29 0.00 -0.02 0.00 0.00 41.12 41.55 1xfd n ASP 320 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1xfd h SER 321 N 4.31 -0.43 -0.69 -2.24 0.87 -1.92 0.18 113.55 113.64 1xfd h SER 321 Ca 0.00 0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 1xfd h SER 321 Cb 0.96 0.46 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1xfd h SER 321 CO 0.00 -0.34 0.00 0.54 -0.53 0.00 0.00 176.83 176.50 1xfd n ARG 322 N -5.46 3.51 -3.20 2.24 1.74 -1.26 -4.93 116.66 109.29 1xfd n ARG 322 Ca 0.23 -2.86 -0.39 0.00 -0.77 0.00 0.00 57.85 54.06 1xfd n ARG 322 Cb 0.76 -1.83 -0.06 0.00 -1.02 0.00 0.00 32.46 30.31 1xfd n ARG 322 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xfd s VAL 323 N -1.63 4.69 0.73 1.55 1.01 0.64 -4.68 120.40 122.71 1xfd s VAL 323 Ca 0.52 1.32 -0.16 0.00 0.00 0.00 0.00 61.98 63.66 1xfd s VAL 323 Cb 0.32 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.76 1xfd s VAL 323 CO 0.27 0.53 1.03 -2.65 0.00 0.00 0.00 175.10 174.28 1xfd n PRO 324 N 1.85 0.52 -3.99 2.72 -0.02 -1.26 -4.85 135.00 129.97 1xfd n PRO 324 Ca -0.09 0.23 -0.35 0.00 -2.02 0.00 0.00 63.50 61.28 1xfd n PRO 324 Cb 0.50 -2.28 -0.14 0.00 -0.02 0.00 0.00 33.50 31.56 1xfd n PRO 324 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1xfd s ILE 325 N -1.82 3.09 0.01 4.25 2.07 -1.26 -2.48 121.20 125.06 1xfd s ILE 325 Ca 0.74 -0.59 -0.22 0.00 -1.41 0.00 0.00 60.65 59.17 1xfd s ILE 325 Cb -0.34 -2.39 -0.05 0.00 0.13 0.00 0.00 42.46 39.81 1xfd s ILE 325 CO 0.49 0.45 0.65 -0.32 -1.91 0.00 0.00 174.94 174.31 1xfd s MET 326 N 1.39 4.37 -0.19 3.50 -2.45 0.07 -4.87 119.30 121.12 1xfd s MET 326 Ca 0.05 0.84 -0.11 0.00 -1.25 0.00 0.00 55.69 55.22 1xfd s MET 326 Cb -0.14 -3.35 -0.05 0.00 1.25 0.00 0.00 34.83 32.55 1xfd s MET 326 CO -0.05 0.35 0.19 -1.21 1.05 0.00 0.00 175.02 175.35 1xfd s GLU 327 N -0.18 4.19 -0.22 4.11 2.02 -1.26 -2.14 118.70 125.22 1xfd s GLU 327 Ca 0.33 -0.12 -0.09 0.00 0.02 0.00 0.00 54.97 55.11 1xfd s GLU 327 Cb -0.19 -3.44 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 1xfd s GLU 327 CO 0.19 0.24 0.12 -0.51 0.02 0.00 0.00 175.26 175.32 1xfd s LEU 328 N 0.52 3.94 0.32 1.80 1.02 0.63 -4.90 118.68 122.01 1xfd s LEU 328 Ca 0.11 0.06 -0.29 0.00 0.02 0.00 0.00 54.13 54.03 1xfd s LEU 328 Cb -0.12 -2.04 -0.10 0.00 0.02 0.00 0.00 46.19 43.95 1xfd s LEU 328 CO 0.01 0.08 1.31 -2.16 0.02 0.00 0.00 176.35 175.61 1xfd s PRO 329 N 0.93 4.37 -0.00 1.29 0.04 -1.26 -0.53 135.00 139.83 1xfd s PRO 329 Ca 0.06 2.19 0.05 0.00 0.04 0.00 0.00 61.00 63.35 1xfd s PRO 329 Cb -0.13 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1xfd s PRO 329 CO 0.03 -0.19 -0.17 0.99 0.04 0.00 0.00 177.00 177.70 1xfd s THR 330 N -1.00 1.37 -0.00 1.26 2.01 -1.25 -4.64 115.64 113.38 1xfd s THR 330 Ca 0.50 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.68 1xfd s THR 330 Cb -0.39 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1xfd s THR 330 CO 0.51 0.32 0.63 -1.22 -0.69 0.00 0.00 174.62 174.17 1xfd n TYR 331 N 2.48 0.00 0.00 4.92 4.02 -1.26 -4.45 117.16 122.87 1xfd n TYR 331 Ca -0.15 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 1xfd n TYR 331 Cb 0.54 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.85 1xfd n TYR 331 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1xfd n THR 332 N -0.10 0.00 0.00 -0.72 -1.04 -1.26 -4.95 114.28 106.21 1xfd n THR 332 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xfd n THR 332 Cb 0.49 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 1xfd n THR 332 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xfd n GLY 333 N 1.57 -0.70 0.57 3.41 0.00 -1.26 -4.87 105.19 103.91 1xfd n GLY 333 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 1xfd n GLY 333 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xfd n SER 334 N 0.00 -0.02 -0.10 1.61 3.41 -1.26 -4.96 113.62 112.30 1xfd n SER 334 Ca 0.00 -1.06 -0.09 0.00 -0.26 0.00 0.00 58.87 57.46 1xfd n SER 334 Cb 0.00 -0.15 0.06 0.00 -0.26 0.00 0.00 64.21 63.86 1xfd n SER 334 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1xfd h ILE 335 N -1.13 1.27 -3.53 -1.33 5.03 -2.00 -3.32 117.51 112.51 1xfd h ILE 335 Ca -0.06 -1.37 -0.71 0.00 -0.12 0.00 0.00 64.86 62.60 1xfd h ILE 335 Cb 0.18 1.22 -0.34 0.00 -3.03 0.00 0.00 36.82 34.84 1xfd h ILE 335 CO 0.05 0.46 -0.25 -0.31 -0.68 0.00 0.00 178.15 177.41 1xfd s TYR 336 N -4.59 3.55 0.72 1.37 1.51 -1.26 -5.08 117.35 113.57 1xfd s TYR 336 Ca -0.10 -2.73 -0.16 0.00 -1.01 0.00 0.00 57.07 53.08 1xfd s TYR 336 Cb 0.13 -3.27 0.03 0.00 -0.11 0.00 0.00 41.96 38.74 1xfd s TYR 336 CO 0.85 -0.83 1.25 -1.25 -1.11 0.00 0.00 175.55 174.45 1xfd s PRO 337 N -0.38 2.17 0.16 -1.71 0.04 -1.25 -5.03 135.00 129.00 1xfd s PRO 337 Ca 0.20 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.17 1xfd s PRO 337 Cb -0.16 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1xfd s PRO 337 CO -0.06 -1.85 -0.07 -0.08 0.04 0.00 0.00 177.00 174.98 1xfd s THR 338 N -1.76 1.02 0.56 1.26 -1.32 -1.26 -4.94 115.64 109.19 1xfd s THR 338 Ca 0.78 -2.03 -0.15 0.00 -1.21 0.00 0.00 61.69 59.07 1xfd s THR 338 Cb -0.33 -1.94 -0.06 0.00 -1.51 0.00 0.00 72.50 68.66 1xfd s THR 338 CO 0.44 -0.66 1.02 0.68 -2.21 0.00 0.00 174.62 173.89 1xfd s VAL 339 N -3.43 4.30 -0.31 5.08 -7.23 -1.26 -3.94 120.40 113.62 1xfd s VAL 339 Ca 0.19 1.04 -0.06 0.00 -1.81 0.00 0.00 61.98 61.34 1xfd s VAL 339 Cb 0.04 -3.61 0.02 0.00 0.56 0.00 0.00 36.38 33.39 1xfd s VAL 339 CO 0.02 -0.69 0.07 -0.54 -0.31 0.00 0.00 175.10 173.65 1xfd s LYS 340 N -4.24 2.86 0.33 4.82 -0.14 0.31 -4.87 119.74 118.80 1xfd s LYS 340 Ca 0.60 -1.01 -0.07 0.00 -1.36 0.00 0.00 55.97 54.13 1xfd s LYS 340 Cb -0.12 -3.35 -0.06 0.00 -1.68 0.00 0.00 37.83 32.62 1xfd s LYS 340 CO 0.37 -0.53 0.63 -1.25 -0.76 0.00 0.00 175.35 173.81 1xfd s PRO 341 N 1.43 3.68 -0.25 -1.68 0.04 -1.26 -0.26 135.00 136.70 1xfd s PRO 341 Ca 0.00 0.16 -0.30 0.00 0.04 0.00 0.00 61.00 60.91 1xfd s PRO 341 Cb -0.18 -2.55 0.17 0.00 0.04 0.00 0.00 34.50 31.98 1xfd s PRO 341 CO 0.02 0.12 1.26 1.52 0.04 0.00 0.00 177.00 179.95 1xfd s TYR 342 N -2.20 -0.13 -0.15 0.56 -0.85 -0.91 -4.97 117.35 108.70 1xfd s TYR 342 Ca 0.46 0.21 -0.29 0.00 -0.52 0.00 0.00 57.07 56.93 1xfd s TYR 342 Cb -0.11 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 42.71 1xfd s TYR 342 CO 0.31 -0.12 1.22 -1.01 -1.52 0.00 0.00 175.55 174.42 1xfd s HIS 343 N -1.13 2.99 -0.09 -3.49 3.76 -1.26 -0.75 115.29 115.32 1xfd s HIS 343 Ca 0.06 1.12 -0.03 0.00 -0.15 0.00 0.00 55.06 56.06 1xfd s HIS 343 Cb -0.01 -3.45 0.05 0.00 1.11 0.00 0.00 32.58 30.27 1xfd s HIS 343 CO -0.05 -1.45 0.11 -0.47 -0.85 0.00 0.00 174.74 172.03 1xfd s TYR 344 N 3.19 -0.01 -0.51 1.40 6.14 -1.04 -4.65 117.35 121.87 1xfd s TYR 344 Ca 0.53 0.26 -0.21 0.00 0.64 0.00 0.00 57.07 58.29 1xfd s TYR 344 Cb -0.21 -0.44 0.05 0.00 0.42 0.00 0.00 41.96 41.77 1xfd s TYR 344 CO 0.15 -0.31 0.74 -1.25 0.64 0.00 0.00 175.55 175.53 1xfd s PRO 345 N 2.21 3.23 0.92 4.97 0.04 -1.26 -4.59 135.00 140.52 1xfd s PRO 345 Ca 0.04 -0.58 -0.12 0.00 0.04 0.00 0.00 61.00 60.39 1xfd s PRO 345 Cb -0.13 -4.06 0.14 0.00 0.04 0.00 0.00 34.50 30.50 1xfd s PRO 345 CO -0.06 -1.28 1.09 0.15 0.04 0.00 0.00 177.00 176.94 1xfd s LYS 346 N 3.14 1.05 0.21 4.56 3.01 -1.26 0.12 119.74 130.58 1xfd s LYS 346 Ca 0.22 0.74 -0.32 0.00 -1.01 0.00 0.00 55.97 55.60 1xfd s LYS 346 Cb -0.16 -1.79 -0.14 0.00 -1.01 0.00 0.00 37.83 34.73 1xfd s LYS 346 CO 0.16 -2.36 1.46 0.00 0.51 0.00 0.00 175.35 175.12 1xfd n ALA 347 N -3.95 1.14 0.00 5.17 0.00 -0.25 -2.01 120.51 120.61 1xfd n ALA 347 Ca 0.07 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1xfd n ALA 347 Cb 0.56 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.71 1xfd n ALA 347 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xfd n GLY 348 N 2.56 3.16 3.84 0.00 0.00 -1.26 -4.89 105.19 108.60 1xfd n GLY 348 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1xfd n GLY 348 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xfd s SER 349 N -0.67 2.19 0.14 1.61 1.04 -0.85 -4.72 113.70 112.45 1xfd s SER 349 Ca 0.00 0.25 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 1xfd s SER 349 Cb 0.00 -0.25 -0.07 0.00 0.10 0.00 0.00 66.02 65.80 1xfd s SER 349 CO 0.00 -3.30 1.12 -1.61 0.98 0.00 0.00 173.24 170.43 1xfd s GLU 350 N -5.84 4.55 0.46 4.02 2.02 -1.26 -4.93 118.70 117.72 1xfd s GLU 350 Ca 0.75 1.72 -0.02 0.00 0.02 0.00 0.00 54.97 57.44 1xfd s GLU 350 Cb -0.04 -3.30 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 1xfd s GLU 350 CO 0.54 -0.01 0.72 -0.80 0.02 0.00 0.00 175.26 175.73 1xfd s ASN 351 N 0.22 6.00 0.33 -0.19 0.01 -1.26 -4.41 114.94 115.65 1xfd s ASN 351 Ca 0.52 0.57 -0.29 0.00 -0.71 0.00 0.00 52.86 52.95 1xfd s ASN 351 Cb -0.29 -1.86 -0.11 0.00 0.41 0.00 0.00 41.25 39.40 1xfd s ASN 351 CO 0.33 -0.65 1.44 -2.16 -1.51 0.00 0.00 177.10 174.55 1xfd s PRO 352 N -4.64 4.21 -0.21 -0.60 0.04 -1.26 -4.76 135.00 127.79 1xfd s PRO 352 Ca 0.47 2.42 -0.18 0.00 0.04 0.00 0.00 61.00 63.75 1xfd s PRO 352 Cb -0.10 -3.03 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 1xfd s PRO 352 CO 0.41 -0.42 0.51 0.45 0.04 0.00 0.00 177.00 177.98 1xfd s SER 353 N -0.08 6.53 0.19 6.66 0.15 -0.17 -4.88 113.70 122.10 1xfd s SER 353 Ca 0.54 0.64 0.09 0.00 0.70 0.00 0.00 55.95 57.92 1xfd s SER 353 Cb -0.44 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 1xfd s SER 353 CO 0.55 -0.19 -0.09 -0.51 1.20 0.00 0.00 173.24 174.20 1xfd s ILE 354 N 1.72 3.21 -0.08 6.45 2.07 -1.26 0.14 121.20 133.44 1xfd s ILE 354 Ca 0.23 -1.68 -0.12 0.00 -1.41 0.00 0.00 60.65 57.67 1xfd s ILE 354 Cb -0.15 -2.60 0.03 0.00 0.13 0.00 0.00 42.46 39.86 1xfd s ILE 354 CO 0.09 -0.14 0.30 -0.94 -1.91 0.00 0.00 174.94 172.35 1xfd s SER 355 N -2.91 -0.26 -0.20 4.50 1.04 -0.73 -4.99 113.70 110.15 1xfd s SER 355 Ca 0.26 0.41 -0.09 0.00 0.48 0.00 0.00 55.95 57.01 1xfd s SER 355 Cb -0.09 0.51 -0.05 0.00 0.10 0.00 0.00 66.02 66.50 1xfd s SER 355 CO 0.16 -0.22 0.11 -0.22 0.98 0.00 0.00 173.24 174.05 1xfd s LEU 356 N -0.36 4.09 0.19 2.42 2.96 -1.26 -0.87 118.68 125.85 1xfd s LEU 356 Ca -0.05 0.18 0.08 0.00 -0.22 0.00 0.00 54.13 54.13 1xfd s LEU 356 Cb -0.03 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1xfd s LEU 356 CO 0.02 0.17 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.05 1xfd s HIS 357 N 0.39 1.81 -0.02 5.38 3.76 -0.70 -0.47 115.29 125.45 1xfd s HIS 357 Ca 0.07 -0.50 -0.01 0.00 -0.15 0.00 0.00 55.06 54.47 1xfd s HIS 357 Cb -0.11 -0.86 0.01 0.00 1.11 0.00 0.00 32.58 32.72 1xfd s HIS 357 CO -0.01 0.37 0.03 0.08 -0.85 0.00 0.00 174.74 174.37 1xfd s VAL 358 N -2.48 -0.02 0.13 -0.90 1.01 0.31 -1.20 120.40 117.25 1xfd s VAL 358 Ca 0.20 0.07 0.05 0.00 0.00 0.00 0.00 61.98 62.30 1xfd s VAL 358 Cb -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.24 1xfd s VAL 358 CO 0.07 0.03 -0.12 0.27 0.00 0.00 0.00 175.10 175.36 1xfd s ILE 359 N 0.39 1.21 0.18 2.22 -5.25 -0.72 -0.58 121.20 118.65 1xfd s ILE 359 Ca -0.03 -1.87 -0.20 0.00 -0.99 0.00 0.00 60.65 57.56 1xfd s ILE 359 Cb -0.05 -1.65 -0.08 0.00 2.95 0.00 0.00 42.46 43.63 1xfd s ILE 359 CO -0.01 -0.59 0.69 -0.83 -1.79 0.00 0.00 174.94 172.41 1xfd s GLY 360 N -2.80 2.66 0.00 6.27 0.00 -1.26 -1.33 107.32 110.86 1xfd s GLY 360 Ca 0.12 0.15 0.23 0.00 0.00 0.00 0.00 44.72 45.21 1xfd s GLY 360 CO 0.02 0.53 1.43 1.04 0.00 0.00 0.00 173.10 176.12 1xfd n LEU 361 N 1.00 3.22 -3.69 0.66 4.77 0.16 -4.40 117.00 118.73 1xfd n LEU 361 Ca -0.04 -1.42 -0.12 0.00 -0.03 0.00 0.00 56.01 54.40 1xfd n LEU 361 Cb 0.51 -0.26 -0.12 0.00 -2.33 0.00 0.00 43.42 41.22 1xfd n LEU 361 CO 0.43 0.71 -0.08 0.54 -1.33 0.00 0.00 177.39 177.66 1xfd s ASN 362 N -1.43 -0.09 0.00 -1.43 4.22 -1.26 -5.01 114.94 109.94 1xfd s ASN 362 Ca 0.39 0.67 0.00 0.00 -2.14 0.00 0.00 52.86 51.77 1xfd s ASN 362 Cb 0.22 0.68 0.00 0.00 1.28 0.00 0.00 41.25 43.43 1xfd s ASN 362 CO 0.31 -0.20 0.00 0.61 -2.04 0.00 0.00 177.10 175.77 1xfd n GLY 363 N 4.76 0.56 0.27 0.45 0.00 -1.26 -4.54 105.19 105.43 1xfd n GLY 363 Ca -0.16 -1.91 0.04 0.00 0.00 0.00 0.00 46.02 43.98 1xfd n GLY 363 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xfd n PRO 364 N 0.85 0.02 -2.85 1.61 -0.02 -1.26 -4.83 135.00 128.52 1xfd n PRO 364 Ca 0.00 0.72 -0.08 0.00 -2.02 0.00 0.00 63.50 62.12 1xfd n PRO 364 Cb 0.00 -1.91 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 1xfd n PRO 364 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xfd n THR 365 N -2.11-11.05 -2.60 3.45 -2.24 -1.26 -4.93 114.28 93.53 1xfd n THR 365 Ca 0.03 0.98 -0.43 0.00 -2.27 0.00 0.00 64.05 62.36 1xfd n THR 365 Cb 0.81 -7.18 -0.02 0.00 -2.10 0.00 0.00 70.33 61.84 1xfd n THR 365 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xfd s HIS 366 N -2.48 3.11 -0.09 4.78 3.76 -1.26 -4.62 115.29 118.49 1xfd s HIS 366 Ca 0.23 1.20 -0.26 0.00 -0.15 0.00 0.00 55.06 56.08 1xfd s HIS 366 Cb -0.06 -3.62 -0.03 0.00 1.11 0.00 0.00 32.58 29.98 1xfd s HIS 366 CO 0.77 -0.89 0.83 0.34 -0.85 0.00 0.00 174.74 174.95 1xfd s ASP 367 N 1.72 7.09 0.01 1.40 -1.08 -1.26 -4.14 116.67 120.40 1xfd s ASP 367 Ca 0.47 1.32 0.06 0.00 -0.52 0.00 0.00 52.55 53.88 1xfd s ASP 367 Cb -0.14 -2.47 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 1xfd s ASP 367 CO 0.14 -0.27 -0.18 -0.76 0.52 0.00 0.00 175.17 174.62 1xfd s LEU 368 N 1.38 2.09 -0.07 -1.34 1.02 0.25 -4.95 118.68 117.07 1xfd s LEU 368 Ca 0.42 -0.39 -0.14 0.00 0.02 0.00 0.00 54.13 54.04 1xfd s LEU 368 Cb -0.18 -0.90 -0.05 0.00 0.02 0.00 0.00 46.19 45.08 1xfd s LEU 368 CO 0.19 0.18 0.35 -0.70 0.02 0.00 0.00 176.35 176.39 1xfd s GLU 369 N -0.72 3.98 -0.51 1.70 2.12 -1.26 -0.53 118.70 123.48 1xfd s GLU 369 Ca 0.06 0.27 -0.25 0.00 0.36 0.00 0.00 54.97 55.41 1xfd s GLU 369 Cb -0.08 -3.29 0.03 0.00 0.26 0.00 0.00 34.13 31.06 1xfd s GLU 369 CO 0.00 0.54 0.96 -1.64 -0.54 0.00 0.00 175.26 174.58 1xfd s MET 370 N -0.53 3.45 0.24 4.30 -1.94 0.38 -4.63 119.30 120.57 1xfd s MET 370 Ca 0.21 -0.01 -0.30 0.00 -1.71 0.00 0.00 55.69 53.89 1xfd s MET 370 Cb -0.15 -3.99 -0.10 0.00 2.01 0.00 0.00 34.83 32.60 1xfd s MET 370 CO 0.10 -1.38 1.43 -1.64 -0.01 0.00 0.00 175.02 173.51 1xfd s MET 371 N 3.96 4.28 0.76 2.03 -1.94 -0.34 -4.57 119.30 123.48 1xfd s MET 371 Ca 0.35 2.27 -0.12 0.00 -1.71 0.00 0.00 55.69 56.49 1xfd s MET 371 Cb -0.11 -3.12 0.05 0.00 2.01 0.00 0.00 34.83 33.66 1xfd s MET 371 CO 0.23 -0.40 1.12 -1.25 -0.01 0.00 0.00 175.02 174.71 1xfd s PRO 372 N -0.33 2.41 0.00 2.03 0.04 -1.26 -4.04 135.00 133.84 1xfd s PRO 372 Ca 0.59 0.38 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1xfd s PRO 372 Cb -0.41 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1xfd s PRO 372 CO 0.43 -1.34 0.00 -0.35 0.04 0.00 0.00 177.00 175.78 1xfd n PRO 373 N -3.19 1.86 0.00 0.56 -0.04 -1.26 -4.97 135.00 127.96 1xfd n PRO 373 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1xfd n PRO 373 Cb 0.58 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.04 1xfd n PRO 373 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xfd n ASP 374 N 0.00 0.45 -0.57 3.54 9.92 -1.26 -5.07 116.55 123.56 1xfd n ASP 374 Ca 0.00 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.18 1xfd n ASP 374 Cb 0.00 0.04 -0.02 0.00 -0.64 0.00 0.00 41.12 40.50 1xfd n ASP 374 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1xfd n ASP 375 N -0.74 0.09 0.20 -2.24 10.43 -1.26 -4.49 116.55 118.53 1xfd n ASP 375 Ca 0.00 0.08 0.04 0.00 2.57 0.00 0.00 54.79 57.48 1xfd n ASP 375 Cb 0.05 -0.12 0.20 0.00 1.84 0.00 0.00 41.12 43.08 1xfd n ASP 375 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 1xfd h PRO 376 N 1.27 0.00 -1.20 -0.24 0.11 -2.04 0.52 132.00 130.42 1xfd h PRO 376 Ca -0.01 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.79 1xfd h PRO 376 Cb 0.19 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 31.14 1xfd h PRO 376 CO 0.15 0.00 0.39 2.89 -0.21 0.00 0.00 178.00 181.22 1xfd n ARG 377 N -2.04 1.74 -2.69 1.05 1.85 -1.26 -3.86 116.66 111.45 1xfd n ARG 377 Ca -0.00 -1.61 -0.07 0.00 -1.00 0.00 0.00 57.85 55.16 1xfd n ARG 377 Cb 0.59 -1.63 0.11 0.00 -1.05 0.00 0.00 32.46 30.48 1xfd n ARG 377 CO 0.00 0.00 0.00 -1.33 -0.01 0.00 0.00 177.63 176.29 1xfd n MET 378 N -0.10 1.22 0.02 2.89 2.81 0.18 -4.75 117.12 119.40 1xfd n MET 378 Ca 0.32 -1.98 0.01 0.00 -1.81 0.00 0.00 57.70 54.23 1xfd n MET 378 Cb 0.89 -0.18 -0.09 0.00 -0.71 0.00 0.00 33.22 33.13 1xfd n MET 378 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1xfd n ARG 379 N -0.62 0.63 -4.06 0.03 5.12 -1.25 -4.70 116.66 111.81 1xfd n ARG 379 Ca -0.03 0.18 -0.31 0.00 -1.93 0.00 0.00 57.85 55.76 1xfd n ARG 379 Cb 0.85 -1.78 -0.16 0.00 -1.16 0.00 0.00 32.46 30.21 1xfd n ARG 379 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1xfd s GLU 380 N -2.95 2.54 0.21 5.56 2.02 -1.26 -5.08 118.70 119.73 1xfd s GLU 380 Ca -0.04 -0.67 -0.06 0.00 0.02 0.00 0.00 54.97 54.22 1xfd s GLU 380 Cb 0.09 -2.29 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 1xfd s GLU 380 CO 0.82 -0.24 0.27 1.52 0.02 0.00 0.00 175.26 177.65 1xfd s TYR 381 N 1.41 0.74 0.09 1.61 1.13 -1.26 -0.15 117.35 120.92 1xfd s TYR 381 Ca 0.05 -1.04 0.09 0.00 -1.41 0.00 0.00 57.07 54.76 1xfd s TYR 381 Cb -0.13 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.48 1xfd s TYR 381 CO -0.11 -0.77 -0.24 0.71 -2.51 0.00 0.00 175.55 172.62 1xfd s TYR 382 N -4.07 2.10 -0.41 -3.49 2.02 0.62 -4.76 117.35 109.35 1xfd s TYR 382 Ca 0.29 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.45 1xfd s TYR 382 Cb 0.04 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.44 1xfd s TYR 382 CO 0.08 0.22 0.29 0.42 -1.57 0.00 0.00 175.55 174.99 1xfd s ILE 383 N -0.99 5.07 -1.49 2.71 1.01 -1.26 -0.87 121.20 125.37 1xfd s ILE 383 Ca 0.11 -0.77 0.23 0.00 0.00 0.00 0.00 60.65 60.22 1xfd s ILE 383 Cb -0.10 -3.85 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 1xfd s ILE 383 CO 0.04 -0.32 1.16 0.35 0.00 0.00 0.00 174.94 176.17 1xfd n THR 384 N 5.12 0.00 -3.64 2.92 -2.24 -0.87 -4.87 114.28 110.70 1xfd n THR 384 Ca -0.11 -0.11 -0.07 0.00 -2.27 0.00 0.00 64.05 61.48 1xfd n THR 384 Cb 0.46 0.87 -0.07 0.00 -2.10 0.00 0.00 70.33 69.49 1xfd n THR 384 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1xfd s MET 385 N -2.73 0.64 -0.11 -0.78 -2.45 -1.24 -4.12 119.30 108.51 1xfd s MET 385 Ca 0.15 1.01 -0.05 0.00 -1.25 0.00 0.00 55.69 55.54 1xfd s MET 385 Cb 0.18 0.17 0.05 0.00 1.25 0.00 0.00 34.83 36.48 1xfd s MET 385 CO 0.68 -0.12 0.26 0.54 1.05 0.00 0.00 175.02 177.43 1xfd s VAL 386 N 1.26 -0.08 -0.05 10.11 0.11 -1.25 -0.37 120.40 130.14 1xfd s VAL 386 Ca -0.07 0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 58.97 1xfd s VAL 386 Cb -0.05 -0.40 0.03 0.00 -1.53 0.00 0.00 36.38 34.43 1xfd s VAL 386 CO -0.15 0.07 0.38 -0.75 -3.33 0.00 0.00 175.10 171.32 1xfd s LYS 387 N 1.40 0.69 -0.09 1.54 2.20 0.14 -4.98 119.74 120.64 1xfd s LYS 387 Ca -0.08 0.03 -0.28 0.00 -0.36 0.00 0.00 55.97 55.28 1xfd s LYS 387 Cb -0.10 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.51 1xfd s LYS 387 CO -0.09 -0.18 0.93 -1.58 -0.36 0.00 0.00 175.35 174.07 1xfd s TRP 388 N -0.99 3.54 -0.01 4.03 0.52 -1.26 0.14 118.94 124.91 1xfd s TRP 388 Ca -0.10 1.51 -0.03 0.00 0.02 0.00 0.00 56.10 57.50 1xfd s TRP 388 Cb -0.04 -3.09 -0.27 0.00 -1.15 0.00 0.00 33.47 28.92 1xfd s TRP 388 CO 0.04 -0.14 0.82 0.00 0.02 0.00 0.00 176.95 177.70 1xfd h ALA 389 N 7.03 0.30 -2.76 0.98 0.00 -1.52 -3.46 119.26 119.82 1xfd h ALA 389 Ca -0.34 -1.14 0.00 0.00 0.00 0.00 0.00 54.91 53.43 1xfd h ALA 389 Cb 1.17 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.27 1xfd h ALA 389 CO 0.81 1.16 0.00 0.25 0.00 0.00 0.00 179.25 181.48 1xfd n THR 390 N -3.44 0.00 1.31 0.00 -2.24 -0.97 -4.35 114.28 104.59 1xfd n THR 390 Ca -0.17 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.73 1xfd n THR 390 Cb 1.04 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.70 1xfd n THR 390 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1xfd n SER 391 N -1.38 1.68 0.00 3.42 7.64 -1.26 -3.97 113.62 119.75 1xfd n SER 391 Ca 0.00 -1.64 0.00 0.00 1.01 0.00 0.00 58.87 58.24 1xfd n SER 391 Cb 0.00 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 1xfd n SER 391 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1xfd n THR 392 N 0.32 0.00 -4.82 0.44 5.66 -1.26 -4.86 114.28 109.75 1xfd n THR 392 Ca 0.17 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.86 1xfd n THR 392 Cb 0.36 -0.10 -0.13 0.00 -1.55 0.00 0.00 70.33 68.91 1xfd n THR 392 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1xfd s LYS 393 N -1.64 2.32 -0.05 1.09 1.02 -1.26 0.08 119.74 121.31 1xfd s LYS 393 Ca 0.00 -0.82 0.02 0.00 0.02 0.00 0.00 55.97 55.20 1xfd s LYS 393 Cb 0.00 -2.29 0.01 0.00 -0.52 0.00 0.00 37.83 35.03 1xfd s LYS 393 CO 0.00 0.59 -0.10 0.54 -0.92 0.00 0.00 175.35 175.46 1xfd s VAL 394 N -0.80 0.93 0.01 3.17 0.11 -0.62 -1.26 120.40 121.93 1xfd s VAL 394 Ca 0.13 -0.38 -0.22 0.00 -2.93 0.00 0.00 61.98 58.58 1xfd s VAL 394 Cb -0.11 -0.85 -0.05 0.00 -1.53 0.00 0.00 36.38 33.84 1xfd s VAL 394 CO 0.02 0.30 0.65 0.00 -3.33 0.00 0.00 175.10 172.74 1xfd s ALA 395 N 0.56 3.45 -0.01 1.54 0.00 0.38 -1.26 121.76 126.41 1xfd s ALA 395 Ca -0.10 0.10 0.02 0.00 0.00 0.00 0.00 51.96 51.97 1xfd s ALA 395 Cb -0.13 -2.82 0.00 0.00 0.00 0.00 0.00 23.12 20.17 1xfd s ALA 395 CO 0.02 0.13 -0.05 0.08 0.00 0.00 0.00 175.76 175.94 1xfd s VAL 396 N -0.13 0.45 -0.20 0.00 1.01 0.79 -0.68 120.40 121.64 1xfd s VAL 396 Ca 0.33 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 1xfd s VAL 396 Cb -0.19 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 1xfd s VAL 396 CO 0.19 0.15 -0.03 -0.89 0.00 0.00 0.00 175.10 174.52 1xfd s THR 397 N 0.17 3.66 -0.27 3.92 2.01 0.51 0.37 115.64 126.00 1xfd s THR 397 Ca -0.02 -0.41 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 1xfd s THR 397 Cb -0.06 -2.65 -0.00 0.00 0.01 0.00 0.00 72.50 69.81 1xfd s THR 397 CO -0.00 0.44 0.05 0.26 -0.69 0.00 0.00 174.62 174.68 1xfd s TRP 398 N 1.07 3.10 -0.13 4.92 0.52 -0.28 -2.05 118.94 126.09 1xfd s TRP 398 Ca 0.01 -0.87 -0.01 0.00 0.02 0.00 0.00 56.10 55.26 1xfd s TRP 398 Cb -0.15 -2.22 -0.02 0.00 -1.15 0.00 0.00 33.47 29.94 1xfd s TRP 398 CO 0.01 -0.53 -0.10 -1.17 0.02 0.00 0.00 176.95 175.18 1xfd s LEU 399 N 1.52 2.92 0.45 2.99 2.96 -0.05 -1.11 118.68 128.36 1xfd s LEU 399 Ca 0.04 -0.23 -0.20 0.00 -0.22 0.00 0.00 54.13 53.51 1xfd s LEU 399 Cb -0.16 -1.67 -0.10 0.00 0.50 0.00 0.00 46.19 44.76 1xfd s LEU 399 CO 0.01 0.19 0.97 0.54 -1.32 0.00 0.00 176.35 176.75 1xfd s ASN 400 N 0.20 6.80 0.32 3.68 4.22 -1.07 0.23 114.94 129.31 1xfd s ASN 400 Ca -0.06 1.70 0.07 0.00 -2.14 0.00 0.00 52.86 52.43 1xfd s ASN 400 Cb -0.15 -2.54 0.92 0.00 1.28 0.00 0.00 41.25 40.76 1xfd s ASN 400 CO 0.04 -0.46 1.58 -0.09 -2.04 0.00 0.00 177.10 176.13 1xfd h ARG 401 N 1.68 0.03 0.00 3.55 9.65 -0.84 1.73 114.38 130.17 1xfd h ARG 401 Ca -0.49 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.39 1xfd h ARG 401 Cb 1.19 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1xfd h ARG 401 CO 0.61 0.02 0.00 0.00 2.80 0.00 0.00 179.97 183.40 1xfd h ALA 402 N 1.97 1.00 -5.99 2.80 0.00 -1.92 -3.46 119.26 113.66 1xfd h ALA 402 Ca 0.67 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 55.15 1xfd h ALA 402 Cb 1.50 0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.37 1xfd h ALA 402 CO -0.86 0.00 -0.70 1.04 0.00 0.00 0.00 179.25 178.73 1xfd n GLN 403 N -2.30 -7.15 0.00 0.00 6.02 0.59 -4.77 117.38 109.77 1xfd n GLN 403 Ca 0.01 0.75 0.00 0.00 -0.01 0.00 0.00 57.00 57.75 1xfd n GLN 403 Cb 0.16 -5.76 0.00 0.00 1.02 0.00 0.00 30.24 25.67 1xfd n GLN 403 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1xfd n ASN 404 N -2.95 1.05 -3.73 1.08 6.94 -1.26 -1.03 115.26 115.36 1xfd n ASN 404 Ca 0.02 -1.31 -0.14 0.00 -0.02 0.00 0.00 54.58 53.13 1xfd n ASN 404 Cb 0.55 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.82 1xfd n ASN 404 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xfd s VAL 405 N -0.31 -0.08 0.07 3.53 1.01 -1.26 -2.04 120.40 121.31 1xfd s VAL 405 Ca 0.00 0.20 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1xfd s VAL 405 Cb 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 1xfd s VAL 405 CO 0.00 0.08 -0.19 -0.55 0.00 0.00 0.00 175.10 174.44 1xfd s SER 406 N 1.37 2.34 -0.16 3.32 0.15 0.12 -2.61 113.70 118.22 1xfd s SER 406 Ca -0.07 -0.60 -0.04 0.00 0.70 0.00 0.00 55.95 55.94 1xfd s SER 406 Cb -0.11 -0.15 0.06 0.00 -1.71 0.00 0.00 66.02 64.10 1xfd s SER 406 CO -0.06 0.08 0.07 -0.63 1.20 0.00 0.00 173.24 173.90 1xfd s ILE 407 N -1.01 0.08 0.33 6.45 1.01 -0.27 -1.41 121.20 126.39 1xfd s ILE 407 Ca 0.05 -0.19 -0.26 0.00 0.00 0.00 0.00 60.65 60.25 1xfd s ILE 407 Cb -0.09 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.64 1xfd s ILE 407 CO 0.03 -0.20 0.99 -0.22 0.00 0.00 0.00 174.94 175.54 1xfd s LEU 408 N 2.07 4.33 -0.08 2.97 0.20 -0.71 -1.13 118.68 126.33 1xfd s LEU 408 Ca 0.02 1.94 -0.13 0.00 0.69 0.00 0.00 54.13 56.65 1xfd s LEU 408 Cb -0.16 -3.99 0.03 0.00 -0.43 0.00 0.00 46.19 41.64 1xfd s LEU 408 CO -0.08 -0.17 0.32 -0.89 -0.29 0.00 0.00 176.35 175.24 1xfd s THR 409 N -1.55 0.03 -0.24 3.68 2.01 0.16 -2.07 115.64 117.66 1xfd s THR 409 Ca 0.51 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.27 1xfd s THR 409 Cb -0.21 -0.53 0.00 0.00 0.01 0.00 0.00 72.50 71.77 1xfd s THR 409 CO 0.27 -0.11 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.29 1xfd s LEU 410 N -0.47 3.06 0.13 4.42 1.43 -0.84 -0.15 118.68 126.26 1xfd s LEU 410 Ca -0.06 -0.56 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1xfd s LEU 410 Cb -0.04 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1xfd s LEU 410 CO 0.02 -0.07 -0.04 0.00 0.23 0.00 0.00 176.35 176.50 1xfd s ASP 412 N -2.52 6.26 0.00 0.00 -1.08 -0.90 -1.60 116.67 116.83 1xfd s ASP 412 Ca 0.25 -0.63 0.00 0.00 -0.52 0.00 0.00 52.55 51.65 1xfd s ASP 412 Cb -0.11 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1xfd s ASP 412 CO 0.17 -0.78 0.04 0.00 0.52 0.00 0.00 175.17 175.12 1xfd n ALA 413 N 6.10 1.31 -0.08 3.66 0.00 0.11 -0.15 120.51 131.45 1xfd n ALA 413 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1xfd n ALA 413 Cb 0.47 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1xfd n ALA 413 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xfd n THR 414 N -0.48 0.00 -0.06 0.00 -2.24 -1.26 -4.85 114.28 105.38 1xfd n THR 414 Ca 0.00 -0.18 -0.13 0.00 -2.27 0.00 0.00 64.05 61.47 1xfd n THR 414 Cb 0.00 1.08 -0.05 0.00 -2.10 0.00 0.00 70.33 69.27 1xfd n THR 414 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1xfd n THR 415 N -0.32 0.70 -0.04 4.28 -1.04 0.78 -5.01 114.28 113.64 1xfd n THR 415 Ca 0.00 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1xfd n THR 415 Cb 0.02 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 66.92 1xfd n THR 415 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xfd n GLY 416 N 2.25 0.43 3.64 3.41 0.00 0.02 -4.99 105.19 109.96 1xfd n GLY 416 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1xfd n GLY 416 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xfd s VAL 417 N -2.10 4.87 -0.11 1.61 1.01 -1.26 -1.20 120.40 123.22 1xfd s VAL 417 Ca 0.00 1.50 -0.05 0.00 0.00 0.00 0.00 61.98 63.43 1xfd s VAL 417 Cb 0.00 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 1xfd s VAL 417 CO 0.00 -0.04 0.07 0.00 0.00 0.00 0.00 175.10 175.13 1xfd s THR 419 N -0.77 2.51 0.35 0.00 2.01 0.17 -4.91 115.64 115.00 1xfd s THR 419 Ca 0.13 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.96 1xfd s THR 419 Cb -0.12 -1.98 -0.12 0.00 0.01 0.00 0.00 72.50 70.29 1xfd s THR 419 CO 0.03 0.56 1.45 1.17 -0.69 0.00 0.00 174.62 177.13 1xfd n LYS 420 N 3.16 2.49 0.00 4.92 4.81 -1.26 -1.98 118.16 130.30 1xfd n LYS 420 Ca -0.18 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 1xfd n LYS 420 Cb 0.52 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.00 1xfd n LYS 420 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1xfd n LYS 421 N 0.85 1.43 0.00 1.64 3.00 -0.88 -4.86 118.16 119.33 1xfd n LYS 421 Ca 0.04 -0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1xfd n LYS 421 Cb 0.37 -0.57 0.00 0.00 0.00 0.00 0.00 35.03 34.83 1xfd n LYS 421 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.40 178.98 1xfd n HIS 422 N -0.25 0.00 -3.60 5.64 -0.00 -1.24 -4.85 115.22 110.93 1xfd n HIS 422 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.61 1xfd n HIS 422 Cb 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.99 1xfd n HIS 422 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.34 174.51 1xfd s GLU 423 N -2.00 0.62 0.10 1.57 -1.05 -1.26 -1.74 118.70 114.94 1xfd s GLU 423 Ca 0.00 0.36 0.05 0.00 -0.15 0.00 0.00 54.97 55.23 1xfd s GLU 423 Cb 0.00 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1xfd s GLU 423 CO 0.00 -0.15 -0.13 -0.51 0.95 0.00 0.00 175.26 175.42 1xfd s ASP 424 N -0.56 1.75 -0.01 0.83 1.11 -0.50 -4.98 116.67 114.31 1xfd s ASP 424 Ca -0.01 -0.76 -0.11 0.00 0.18 0.00 0.00 52.55 51.85 1xfd s ASP 424 Cb -0.02 -0.04 0.01 0.00 1.07 0.00 0.00 42.92 43.94 1xfd s ASP 424 CO -0.00 -0.16 0.22 -1.83 1.18 0.00 0.00 175.17 174.57 1xfd s GLU 425 N -2.46 0.56 0.14 8.23 -1.05 -1.26 0.13 118.70 122.98 1xfd s GLU 425 Ca 0.05 -0.28 0.02 0.00 -0.15 0.00 0.00 54.97 54.61 1xfd s GLU 425 Cb -0.06 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 1xfd s GLU 425 CO 0.02 -0.14 -0.03 0.45 0.95 0.00 0.00 175.26 176.51 1xfd s SER 426 N -1.29 1.14 -0.06 0.83 0.15 -0.86 -5.00 113.70 108.60 1xfd s SER 426 Ca -0.14 -1.10 -0.25 0.00 0.70 0.00 0.00 55.95 55.17 1xfd s SER 426 Cb -0.06 0.12 -0.25 0.00 -1.71 0.00 0.00 66.02 64.12 1xfd s SER 426 CO 0.03 -0.53 0.98 -0.33 1.20 0.00 0.00 173.24 174.58 1xfd h GLU 427 N 2.82 0.16 0.00 5.44 5.08 -1.99 -3.43 114.58 122.66 1xfd h GLU 427 Ca -0.36 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1xfd h GLU 427 Cb 1.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1xfd h GLU 427 CO 0.63 0.97 0.00 0.00 -1.00 0.00 0.00 179.01 179.61 1xfd n ALA 428 N -2.56 0.00 -3.22 3.43 0.00 -1.26 -5.05 120.51 111.84 1xfd n ALA 428 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1xfd n ALA 428 Cb 0.54 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.88 1xfd n ALA 428 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.50 179.17 1xfd s TRP 429 N 0.00 -0.36 0.52 0.00 -2.14 -1.26 -4.74 118.94 110.96 1xfd s TRP 429 Ca 0.00 0.88 -0.22 0.00 2.66 0.00 0.00 56.10 59.42 1xfd s TRP 429 Cb 0.00 0.12 -0.06 0.00 -3.10 0.00 0.00 33.47 30.44 1xfd s TRP 429 CO 0.00 -0.18 1.28 -0.51 -2.66 0.00 0.00 176.95 174.88 1xfd s LEU 430 N 0.13 3.89 0.15 -4.66 2.01 -0.20 -4.95 118.68 115.04 1xfd s LEU 430 Ca -0.00 2.58 0.05 0.00 0.01 0.00 0.00 54.13 56.77 1xfd s LEU 430 Cb -0.02 -4.29 -0.04 0.00 0.01 0.00 0.00 46.19 41.84 1xfd s LEU 430 CO 0.01 -1.36 -0.12 -2.28 1.01 0.00 0.00 176.35 173.61 1xfd s HIS 431 N -1.41 1.34 -0.89 0.29 5.65 -1.26 -4.88 115.29 114.13 1xfd s HIS 431 Ca 0.70 -0.68 -0.06 0.00 0.25 0.00 0.00 55.06 55.27 1xfd s HIS 431 Cb -0.36 -0.68 -0.01 0.00 -1.18 0.00 0.00 32.58 30.36 1xfd s HIS 431 CO 0.42 0.13 0.72 0.54 -0.65 0.00 0.00 174.74 175.90 1xfd n ARG 432 N -0.00 -1.44 -0.00 2.88 1.74 -1.26 -4.93 116.66 113.64 1xfd n ARG 432 Ca -0.11 1.00 0.11 0.00 -0.77 0.00 0.00 57.85 58.08 1xfd n ARG 432 Cb 0.60 -4.54 0.09 0.00 -1.02 0.00 0.00 32.46 27.58 1xfd n ARG 432 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1xfd n GLN 433 N -2.71 1.97 0.00 5.56 1.13 -1.26 -4.05 117.38 118.01 1xfd n GLN 433 Ca -0.11 -1.78 0.14 0.00 -1.94 0.00 0.00 57.00 53.32 1xfd n GLN 433 Cb 0.58 -1.41 0.58 0.00 0.11 0.00 0.00 30.24 30.10 1xfd n GLN 433 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1xfd n ASN 434 N 1.20 0.94 -4.29 1.08 4.13 -1.26 -4.36 115.26 112.70 1xfd n ASN 434 Ca 0.13 -1.08 -0.58 0.00 1.68 0.00 0.00 54.58 54.73 1xfd n ASN 434 Cb 0.53 0.01 -0.11 0.00 -1.54 0.00 0.00 39.78 38.67 1xfd n ASN 434 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1xfd n GLU 435 N -0.44 0.23 -3.05 3.52 4.07 -1.26 -4.82 120.64 118.89 1xfd n GLU 435 Ca 0.17 0.06 -0.40 0.00 -0.06 0.00 0.00 57.16 56.94 1xfd n GLU 435 Cb 0.30 -1.70 -0.05 0.00 -0.06 0.00 0.00 31.44 29.93 1xfd n GLU 435 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1xfd s GLU 436 N 6.09 4.43 0.43 5.31 2.02 -1.26 -4.99 118.70 130.73 1xfd s GLU 436 Ca 1.18 0.89 -0.16 0.00 0.02 0.00 0.00 54.97 56.91 1xfd s GLU 436 Cb -1.36 -3.42 -0.08 0.00 0.10 0.00 0.00 34.13 29.37 1xfd s GLU 436 CO 0.62 0.14 0.87 -1.25 0.02 0.00 0.00 175.26 175.66 1xfd s PRO 437 N 0.53 3.97 -0.26 0.39 0.04 -1.26 -4.90 135.00 133.51 1xfd s PRO 437 Ca 0.37 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.14 1xfd s PRO 437 Cb -0.18 -2.27 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 1xfd s PRO 437 CO 0.19 -0.07 0.07 0.08 0.04 0.00 0.00 177.00 177.30 1xfd s VAL 438 N -2.34 4.17 0.15 -0.36 1.01 0.30 -4.92 120.40 118.41 1xfd s VAL 438 Ca 0.57 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1xfd s VAL 438 Cb -0.10 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1xfd s VAL 438 CO 0.25 0.26 0.28 -0.36 0.00 0.00 0.00 175.10 175.53 1xfd s PHE 439 N 1.58 3.47 0.16 5.22 0.40 -1.26 0.43 117.98 127.98 1xfd s PHE 439 Ca 0.05 0.11 -0.30 0.00 -0.60 0.00 0.00 56.93 56.19 1xfd s PHE 439 Cb -0.16 -1.66 -0.07 0.00 0.51 0.00 0.00 43.02 41.65 1xfd s PHE 439 CO 0.03 0.51 0.95 -1.54 0.70 0.00 0.00 175.22 175.87 1xfd s SER 440 N -3.26 7.56 0.28 1.36 1.04 -1.00 -4.89 113.70 114.79 1xfd s SER 440 Ca 0.34 1.86 0.23 0.00 0.48 0.00 0.00 55.95 58.86 1xfd s SER 440 Cb -0.11 -2.60 0.91 0.00 0.10 0.00 0.00 66.02 64.32 1xfd s SER 440 CO 0.28 0.03 0.89 0.29 0.98 0.00 0.00 173.24 175.71 1xfd n LYS 441 N 2.25 -0.01 -0.50 4.02 4.76 -1.26 0.24 118.16 127.65 1xfd n LYS 441 Ca 0.00 0.67 0.03 0.00 -2.87 0.00 0.00 58.31 56.14 1xfd n LYS 441 Cb 0.48 -1.42 0.21 0.00 -1.84 0.00 0.00 35.03 32.47 1xfd n LYS 441 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1xfd n ASP 442 N -3.51 3.55 0.00 4.39 5.75 -1.26 -4.86 116.55 120.61 1xfd n ASP 442 Ca 0.24 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 1xfd n ASP 442 Cb 1.00 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1xfd n ASP 442 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xfd n GLY 443 N 0.28 0.00 0.00 6.12 0.00 0.66 -4.92 105.19 107.33 1xfd n GLY 443 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xfd n GLY 443 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xfd n ARG 444 N 0.71 3.49 -1.04 1.61 0.63 -1.23 -4.60 116.66 116.24 1xfd n ARG 444 Ca 0.00 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.57 1xfd n ARG 444 Cb 0.40 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.37 1xfd n ARG 444 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 1xfd n LYS 445 N 0.00 -0.02 -4.01 -0.14 2.85 -1.26 -3.26 118.16 112.32 1xfd n LYS 445 Ca 0.00 0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 57.18 1xfd n LYS 445 Cb 0.00 -1.28 -0.09 0.00 -0.65 0.00 0.00 35.03 33.02 1xfd n LYS 445 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 177.40 176.76 1xfd s PHE 446 N -2.06 0.49 -0.22 5.58 -0.12 0.12 -2.36 117.98 119.41 1xfd s PHE 446 Ca 0.49 -0.91 -0.03 0.00 -0.05 0.00 0.00 56.93 56.43 1xfd s PHE 446 Cb -0.26 -0.24 -0.00 0.00 -0.63 0.00 0.00 43.02 41.88 1xfd s PHE 446 CO 0.74 -0.55 -0.07 -0.06 -0.05 0.00 0.00 175.22 175.23 1xfd s PHE 447 N -3.95 2.94 0.00 3.49 0.40 0.17 -2.09 117.98 118.93 1xfd s PHE 447 Ca 0.14 -1.10 0.00 0.00 -0.60 0.00 0.00 56.93 55.37 1xfd s PHE 447 Cb 0.06 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.51 1xfd s PHE 447 CO -0.04 -0.60 0.00 0.34 0.70 0.00 0.00 175.22 175.61 1xfd n PHE 448 N 4.76 -0.78 -3.63 0.36 7.35 -0.25 -0.54 117.46 124.73 1xfd n PHE 448 Ca -0.18 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.49 1xfd n PHE 448 Cb 0.50 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.29 1xfd n PHE 448 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 1xfd s ILE 449 N 0.66 -0.81 0.36 -2.13 2.07 -1.26 -1.56 121.20 118.53 1xfd s ILE 449 Ca 0.00 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.18 1xfd s ILE 449 Cb 0.00 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.61 1xfd s ILE 449 CO 0.00 0.00 0.58 -2.11 -1.91 0.00 0.00 174.94 171.50 1xfd n ARG 450 N 5.24 0.83 -2.59 3.50 1.85 -0.69 -4.88 116.66 119.92 1xfd n ARG 450 Ca -0.13 -2.60 -0.43 0.00 -1.00 0.00 0.00 57.85 53.70 1xfd n ARG 450 Cb 0.51 2.70 -0.02 0.00 -1.05 0.00 0.00 32.46 34.59 1xfd n ARG 450 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xfd s ALA 451 N -2.55 3.53 -0.12 2.89 0.00 -1.26 -1.36 121.76 122.90 1xfd s ALA 451 Ca 0.25 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1xfd s ALA 451 Cb -0.02 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.61 1xfd s ALA 451 CO 0.18 -0.83 -0.12 0.96 0.00 0.00 0.00 175.76 175.94 1xfd s ILE 452 N 2.56 1.36 0.00 0.00 -4.36 -0.32 -4.87 121.20 115.56 1xfd s ILE 452 Ca 0.50 -0.52 0.00 0.00 -0.26 0.00 0.00 60.65 60.37 1xfd s ILE 452 Cb -0.20 -1.28 0.00 0.00 1.25 0.00 0.00 42.46 42.23 1xfd s ILE 452 CO 0.16 0.42 0.00 -2.65 0.24 0.00 0.00 174.94 173.10 1xfd n PRO 453 N 4.57 0.00 -3.70 0.37 -0.02 -1.26 -2.72 135.00 132.24 1xfd n PRO 453 Ca -0.17 0.00 -0.22 0.00 -2.02 0.00 0.00 63.50 61.09 1xfd n PRO 453 Cb 0.50 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 34.02 1xfd n PRO 453 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1xfd n GLN 454 N -3.13 -5.17 0.00 -0.52 1.13 -1.26 -3.63 117.38 104.80 1xfd n GLN 454 Ca 0.00 0.64 0.00 0.00 -1.94 0.00 0.00 57.00 55.70 1xfd n GLN 454 Cb 0.00 -5.28 0.00 0.00 0.11 0.00 0.00 30.24 25.07 1xfd n GLN 454 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xfd n GLY 455 N -1.56 1.24 3.45 1.08 0.00 -1.26 -4.69 105.19 103.45 1xfd n GLY 455 Ca -0.26 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 1xfd n GLY 455 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xfd s GLY 456 N 0.00 1.72 0.00 -0.02 0.00 -1.26 -4.83 107.32 102.92 1xfd s GLY 456 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 44.72 43.11 1xfd s GLY 456 CO 0.00 -1.63 0.00 0.54 0.00 0.00 0.00 173.10 172.01 1xfd n ARG 457 N 0.22 0.00 -0.31 2.90 1.74 -1.26 -4.96 116.66 114.99 1xfd n ARG 457 Ca -0.12 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 57.00 1xfd n ARG 457 Cb 0.56 -1.33 -0.01 0.00 -1.02 0.00 0.00 32.46 30.65 1xfd n ARG 457 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xfd n GLY 458 N -1.15 -1.53 3.59 -0.13 0.00 -1.26 -4.80 105.19 99.91 1xfd n GLY 458 Ca 0.00 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.61 1xfd n GLY 458 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfd s LYS 459 N -0.57 2.10 0.18 1.61 -2.85 -1.24 -4.36 119.74 114.61 1xfd s LYS 459 Ca 0.00 -1.51 0.06 0.00 -1.00 0.00 0.00 55.97 53.51 1xfd s LYS 459 Cb 0.00 -2.04 -0.05 0.00 -2.06 0.00 0.00 37.83 33.68 1xfd s LYS 459 CO 0.00 0.36 -0.11 -0.06 0.10 0.00 0.00 175.35 175.64 1xfd s PHE 460 N -2.34 1.46 -0.26 1.78 0.40 -1.10 -1.33 117.98 116.59 1xfd s PHE 460 Ca 0.31 -0.71 -0.26 0.00 -0.60 0.00 0.00 56.93 55.67 1xfd s PHE 460 Cb -0.06 -0.73 0.00 0.00 0.51 0.00 0.00 43.02 42.74 1xfd s PHE 460 CO 0.18 0.17 0.89 0.71 0.70 0.00 0.00 175.22 177.87 1xfd s TYR 461 N -3.20 3.28 0.15 0.36 1.51 -1.26 -1.18 117.35 117.01 1xfd s TYR 461 Ca 0.20 1.14 0.00 0.00 -1.01 0.00 0.00 57.07 57.41 1xfd s TYR 461 Cb 0.02 -3.20 -0.04 0.00 -0.11 0.00 0.00 41.96 38.63 1xfd s TYR 461 CO 0.04 -0.49 0.04 -1.01 -1.11 0.00 0.00 175.55 173.01 1xfd s HIS 462 N 3.03 1.03 0.48 2.71 3.76 -0.46 -0.68 115.29 125.15 1xfd s HIS 462 Ca 0.37 -1.15 -0.22 0.00 -0.15 0.00 0.00 55.06 53.92 1xfd s HIS 462 Cb -0.15 -0.58 -0.07 0.00 1.11 0.00 0.00 32.58 32.89 1xfd s HIS 462 CO 0.09 -0.39 1.13 0.42 -0.85 0.00 0.00 174.74 175.14 1xfd s ILE 463 N -3.88 3.26 0.03 0.60 1.01 -1.26 -1.71 121.20 119.25 1xfd s ILE 463 Ca 0.24 0.88 0.01 0.00 0.00 0.00 0.00 60.65 61.78 1xfd s ILE 463 Cb 0.07 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.10 1xfd s ILE 463 CO 0.03 -0.07 -0.04 -0.89 0.00 0.00 0.00 174.94 173.96 1xfd s THR 464 N -1.67 0.23 0.06 2.92 2.01 -0.60 -2.12 115.64 116.47 1xfd s THR 464 Ca 0.66 -1.02 0.09 0.00 0.31 0.00 0.00 61.69 61.72 1xfd s THR 464 Cb -0.25 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1xfd s THR 464 CO 0.30 -0.51 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.80 1xfd s VAL 465 N -1.62 1.93 -0.04 3.82 1.01 -0.95 -1.09 120.40 123.45 1xfd s VAL 465 Ca -0.13 -1.36 -0.18 0.00 0.00 0.00 0.00 61.98 60.31 1xfd s VAL 465 Cb -0.09 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.66 1xfd s VAL 465 CO -0.01 0.24 0.40 -0.44 0.00 0.00 0.00 175.10 175.29 1xfd s SER 466 N -1.35 -0.32 0.73 3.32 0.01 -0.89 -4.06 113.70 111.14 1xfd s SER 466 Ca 0.10 0.34 -0.11 0.00 1.31 0.00 0.00 55.95 57.59 1xfd s SER 466 Cb -0.10 0.45 0.03 0.00 0.21 0.00 0.00 66.02 66.61 1xfd s SER 466 CO 0.03 -0.43 1.07 -0.94 0.41 0.00 0.00 173.24 173.38 1xfd s SER 467 N -1.05 4.97 0.31 2.44 1.04 -1.26 0.15 113.70 120.30 1xfd s SER 467 Ca -0.11 1.67 -0.00 0.00 0.48 0.00 0.00 55.95 57.99 1xfd s SER 467 Cb -0.04 -2.47 0.51 0.00 0.10 0.00 0.00 66.02 64.12 1xfd s SER 467 CO 0.05 -1.71 1.95 -1.28 0.98 0.00 0.00 173.24 173.23 1xfd h SER 468 N -0.91 0.82 -2.41 7.02 0.87 -1.80 -3.27 113.55 113.86 1xfd h SER 468 Ca -0.44 -0.05 -0.69 0.00 -1.23 0.00 0.00 61.79 59.37 1xfd h SER 468 Cb 1.22 -0.21 -0.35 0.00 -0.44 0.00 0.00 62.40 62.62 1xfd h SER 468 CO 0.55 0.64 0.08 0.00 -0.53 0.00 0.00 176.83 177.57 1xfd n GLN 469 N -4.39 3.79 -1.66 2.24 6.02 -1.26 -4.95 117.38 117.17 1xfd n GLN 469 Ca 0.07 -4.69 -0.48 0.00 -0.01 0.00 0.00 57.00 51.89 1xfd n GLN 469 Cb 0.08 -2.36 -0.05 0.00 1.02 0.00 0.00 30.24 28.93 1xfd n GLN 469 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1xfd n PRO 470 N 0.53 2.17 -3.07 -1.09 -0.02 -1.24 -4.93 135.00 127.36 1xfd n PRO 470 Ca 0.33 0.78 -0.39 0.00 -2.02 0.00 0.00 63.50 62.19 1xfd n PRO 470 Cb 0.35 -2.70 -0.05 0.00 -0.02 0.00 0.00 33.50 31.08 1xfd n PRO 470 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1xfd s ASN 471 N 4.54 7.13 0.04 2.55 0.01 -1.26 -4.91 114.94 123.03 1xfd s ASN 471 Ca 0.94 1.35 0.02 0.00 -0.71 0.00 0.00 52.86 54.45 1xfd s ASN 471 Cb -0.66 -2.43 0.12 0.00 0.41 0.00 0.00 41.25 38.69 1xfd s ASN 471 CO 0.50 0.06 0.17 -1.54 -1.51 0.00 0.00 177.10 174.78 1xfd n SER 472 N 2.70 0.02 0.00 -1.22 3.41 -1.26 -3.79 113.62 113.48 1xfd n SER 472 Ca -0.04 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1xfd n SER 472 Cb 0.50 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1xfd n SER 472 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xfd n SER 473 N -3.44 0.00 -4.74 4.04 3.41 -1.26 -4.94 113.62 106.69 1xfd n SER 473 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.32 1xfd n SER 473 Cb 0.12 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 1xfd n SER 473 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1xfd s ASN 474 N -2.47 4.09 0.71 4.04 0.01 -1.25 -5.15 114.94 114.92 1xfd s ASN 474 Ca 0.00 -1.61 -0.09 0.00 -0.71 0.00 0.00 52.86 50.45 1xfd s ASN 474 Cb 0.00 0.38 0.04 0.00 0.41 0.00 0.00 41.25 42.09 1xfd s ASN 474 CO 0.00 -0.79 1.05 -1.81 -1.51 0.00 0.00 177.10 174.04 1xfd s ASP 475 N -3.85 5.08 0.00 -1.22 1.11 -1.26 -4.62 116.67 111.91 1xfd s ASP 475 Ca 0.10 0.78 0.18 0.00 0.18 0.00 0.00 52.55 53.79 1xfd s ASP 475 Cb 0.03 -1.50 0.60 0.00 1.07 0.00 0.00 42.92 43.12 1xfd s ASP 475 CO 0.05 -1.48 1.46 0.59 1.18 0.00 0.00 175.17 176.96 1xfd n ASN 476 N -2.97 1.91 -1.72 0.27 4.13 -1.26 -4.98 115.26 110.64 1xfd n ASN 476 Ca 0.07 -1.82 -0.21 0.00 1.68 0.00 0.00 54.58 54.30 1xfd n ASN 476 Cb 0.59 -0.16 -0.02 0.00 -1.54 0.00 0.00 39.78 38.65 1xfd n ASN 476 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 1xfd n ILE 477 N 0.50 0.35 0.00 2.41 -5.35 -1.26 -4.68 119.36 111.33 1xfd n ILE 477 Ca 0.15 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1xfd n ILE 477 Cb 0.35 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.25 1xfd n ILE 477 CO 0.00 0.00 0.00 1.67 -1.76 0.00 0.00 176.55 176.46 1xfd n GLN 478 N 0.49 0.00 -2.74 6.28 0.00 -1.26 -5.02 117.38 115.14 1xfd n GLN 478 Ca 0.07 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.77 1xfd n GLN 478 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.27 1xfd n GLN 478 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 1xfd s SER 479 N 0.00 6.53 -0.16 1.69 1.04 -1.26 -2.23 113.70 119.30 1xfd s SER 479 Ca 0.00 1.23 0.07 0.00 0.48 0.00 0.00 55.95 57.72 1xfd s SER 479 Cb 0.00 -2.36 -0.23 0.00 0.10 0.00 0.00 66.02 63.53 1xfd s SER 479 CO 0.00 -0.45 0.19 -0.38 0.98 0.00 0.00 173.24 173.58 1xfd n ILE 480 N -1.40 1.56 -4.54 -1.02 5.41 -0.90 -4.95 119.36 113.52 1xfd n ILE 480 Ca 0.03 -0.72 -0.26 0.00 1.00 0.00 0.00 62.75 62.81 1xfd n ILE 480 Cb 0.54 -1.15 -0.10 0.00 -0.71 0.00 0.00 39.64 38.21 1xfd n ILE 480 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1xfd s THR 481 N -2.54 2.23 -0.02 1.39 -4.23 -1.26 -4.89 115.64 106.32 1xfd s THR 481 Ca -0.19 -2.21 -0.29 0.00 -1.18 0.00 0.00 61.69 57.83 1xfd s THR 481 Cb 0.07 -2.64 0.10 0.00 1.34 0.00 0.00 72.50 71.38 1xfd s THR 481 CO 0.75 -0.20 0.88 -0.94 -0.54 0.00 0.00 174.62 174.56 1xfd s SER 482 N -3.60 -0.39 0.00 3.99 1.04 -1.26 -4.62 113.70 108.86 1xfd s SER 482 Ca 0.32 0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.85 1xfd s SER 482 Cb 0.02 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1xfd s SER 482 CO 0.16 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1xfd n GLY 483 N -0.04 0.98 2.69 7.32 0.00 -1.26 -4.93 105.19 109.95 1xfd n GLY 483 Ca -0.10 -1.93 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1xfd n GLY 483 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xfd n ASP 484 N 3.00 7.12 -3.46 1.61 8.00 -1.26 -4.75 116.55 126.81 1xfd n ASP 484 Ca 0.00 -3.42 -0.14 0.00 0.71 0.00 0.00 54.79 51.94 1xfd n ASP 484 Cb 0.00 -1.28 -0.03 0.00 -0.02 0.00 0.00 41.12 39.79 1xfd n ASP 484 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1xfd s TRP 485 N -2.64 -0.57 0.02 1.24 1.48 -1.26 -5.01 118.94 112.20 1xfd s TRP 485 Ca 0.42 0.61 0.03 0.00 -1.06 0.00 0.00 56.10 56.09 1xfd s TRP 485 Cb 0.15 0.50 -0.04 0.00 -1.16 0.00 0.00 33.47 32.93 1xfd s TRP 485 CO -0.06 -0.74 -0.01 -0.51 -4.06 0.00 0.00 176.95 171.57 1xfd s ASP 486 N -2.15 5.00 0.05 -2.66 1.01 -1.26 -4.51 116.67 112.14 1xfd s ASP 486 Ca -0.03 -0.07 -0.22 0.00 0.71 0.00 0.00 52.55 52.94 1xfd s ASP 486 Cb -0.01 -1.25 -0.06 0.00 1.01 0.00 0.00 42.92 42.61 1xfd s ASP 486 CO -0.04 0.26 0.64 -0.69 0.21 0.00 0.00 175.17 175.54 1xfd s VAL 487 N -1.11 4.77 -0.37 -1.27 1.01 0.14 -1.18 120.40 122.38 1xfd s VAL 487 Ca 0.20 1.36 0.06 0.00 0.00 0.00 0.00 61.98 63.61 1xfd s VAL 487 Cb -0.11 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1xfd s VAL 487 CO 0.11 0.46 0.33 0.35 0.00 0.00 0.00 175.10 176.35 1xfd n THR 488 N 2.34 0.00 -3.24 3.92 -2.24 -0.28 -4.80 114.28 109.98 1xfd n THR 488 Ca -0.07 -0.38 0.04 0.00 -2.27 0.00 0.00 64.05 61.37 1xfd n THR 488 Cb 0.50 1.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.72 1xfd n THR 488 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1xfd s LYS 489 N -1.42 0.14 -0.02 -0.78 2.47 -1.22 -4.94 119.74 113.97 1xfd s LYS 489 Ca 0.03 0.33 -0.30 0.00 -1.56 0.00 0.00 55.97 54.47 1xfd s LYS 489 Cb 0.05 0.20 -0.03 0.00 -1.46 0.00 0.00 37.83 36.59 1xfd s LYS 489 CO 0.22 -0.08 1.02 0.42 0.16 0.00 0.00 175.35 177.09 1xfd s ILE 490 N 2.43 4.74 -0.22 5.43 1.01 -1.26 -1.54 121.20 131.79 1xfd s ILE 490 Ca -0.02 1.98 0.08 0.00 0.00 0.00 0.00 60.65 62.69 1xfd s ILE 490 Cb -0.05 -4.27 -0.19 0.00 0.01 0.00 0.00 42.46 37.97 1xfd s ILE 490 CO -0.15 0.11 -0.10 0.18 0.00 0.00 0.00 174.94 174.98 1xfd n LEU 491 N 4.26 1.74 -3.51 2.97 4.77 0.56 -4.96 117.00 122.82 1xfd n LEU 491 Ca 0.07 -0.07 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1xfd n LEU 491 Cb 0.50 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.27 1xfd n LEU 491 CO 0.52 0.72 0.70 0.00 -1.33 0.00 0.00 177.39 178.00 1xfd s ALA 492 N -2.46 -1.84 -0.15 -1.18 0.00 -1.17 -4.83 121.76 110.13 1xfd s ALA 492 Ca -0.23 1.07 -0.01 0.00 0.00 0.00 0.00 51.96 52.79 1xfd s ALA 492 Cb 0.07 0.34 0.04 0.00 0.00 0.00 0.00 23.12 23.57 1xfd s ALA 492 CO 0.64 -0.66 -0.05 -0.47 0.00 0.00 0.00 175.76 175.22 1xfd s TYR 493 N -2.99 1.54 -0.90 0.00 5.04 -1.26 -1.57 117.35 117.22 1xfd s TYR 493 Ca 0.05 -0.94 -0.16 0.00 -2.44 0.00 0.00 57.07 53.58 1xfd s TYR 493 Cb -0.01 -1.24 0.18 0.00 0.35 0.00 0.00 41.96 41.24 1xfd s TYR 493 CO -0.08 -0.58 0.97 0.34 -1.34 0.00 0.00 175.55 174.87 1xfd s ASP 494 N 1.69 6.74 0.54 4.32 2.15 -0.42 -4.87 116.67 126.82 1xfd s ASP 494 Ca 0.02 -2.45 0.27 0.00 0.43 0.00 0.00 52.55 50.82 1xfd s ASP 494 Cb -0.15 -2.30 1.43 0.00 -0.30 0.00 0.00 42.92 41.60 1xfd s ASP 494 CO -0.08 -0.79 1.97 -0.08 -0.17 0.00 0.00 175.17 176.03 1xfd h GLU 495 N 8.19 0.00 -3.50 4.34 4.81 -1.98 -3.22 114.58 123.21 1xfd h GLU 495 Ca 0.14 0.00 -0.42 0.00 -0.13 0.00 0.00 59.36 58.95 1xfd h GLU 495 Cb 1.02 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.42 1xfd h GLU 495 CO 0.94 0.00 2.67 1.63 -0.73 0.00 0.00 179.01 183.53 1xfd n LYS 496 N -4.27 2.15 0.00 1.92 4.76 -1.26 -4.68 118.16 116.77 1xfd n LYS 496 Ca 0.11 -1.55 0.00 0.00 -2.87 0.00 0.00 58.31 54.00 1xfd n LYS 496 Cb 0.66 -2.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.33 1xfd n LYS 496 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xfd n GLY 497 N 3.82 0.49 2.58 0.72 0.00 -1.22 -4.94 105.19 106.65 1xfd n GLY 497 Ca 0.47 -0.97 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1xfd n GLY 497 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xfd n ASN 498 N 0.00 -2.07 -3.92 1.61 0.23 -1.26 -4.71 115.26 105.14 1xfd n ASN 498 Ca 0.00 -2.89 -0.18 0.00 -0.53 0.00 0.00 54.58 50.98 1xfd n ASN 498 Cb 0.00 0.90 -0.15 0.00 -2.08 0.00 0.00 39.78 38.45 1xfd n ASN 498 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1xfd s LYS 499 N 0.29 0.63 -0.20 -3.83 -0.14 -1.23 -3.04 119.74 112.22 1xfd s LYS 499 Ca 0.32 -0.14 -0.04 0.00 -1.36 0.00 0.00 55.97 54.74 1xfd s LYS 499 Cb 0.11 -0.64 0.08 0.00 -1.68 0.00 0.00 37.83 35.70 1xfd s LYS 499 CO -0.15 0.02 0.15 -1.50 -0.76 0.00 0.00 175.35 173.11 1xfd s ILE 500 N 0.42 -0.19 0.12 2.17 -1.16 -0.50 -1.30 121.20 120.77 1xfd s ILE 500 Ca -0.05 -0.21 -0.12 0.00 -0.51 0.00 0.00 60.65 59.76 1xfd s ILE 500 Cb -0.09 -0.66 -0.06 0.00 0.61 0.00 0.00 42.46 42.25 1xfd s ILE 500 CO -0.00 -0.30 0.47 -0.31 -2.81 0.00 0.00 174.94 171.99 1xfd s TYR 501 N 2.21 3.58 0.15 3.50 1.51 -0.61 -1.77 117.35 125.93 1xfd s TYR 501 Ca 0.05 0.90 -0.25 0.00 -1.01 0.00 0.00 57.07 56.76 1xfd s TYR 501 Cb -0.16 -2.25 0.06 0.00 -0.11 0.00 0.00 41.96 39.51 1xfd s TYR 501 CO -0.14 0.46 0.97 -0.59 -1.11 0.00 0.00 175.55 175.15 1xfd s PHE 502 N -1.46 -0.12 0.12 2.71 -0.12 -1.10 -0.33 117.98 117.68 1xfd s PHE 502 Ca 0.36 -0.19 0.04 0.00 -0.05 0.00 0.00 56.93 57.09 1xfd s PHE 502 Cb -0.14 0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1xfd s PHE 502 CO 0.19 -0.83 0.11 -0.51 -0.05 0.00 0.00 175.22 174.13 1xfd s LEU 503 N -2.96 3.83 0.27 -1.99 2.01 -0.59 0.17 118.68 119.42 1xfd s LEU 503 Ca 0.13 -0.05 -0.13 0.00 0.01 0.00 0.00 54.13 54.09 1xfd s LEU 503 Cb -0.01 -2.47 0.01 0.00 0.01 0.00 0.00 46.19 43.72 1xfd s LEU 503 CO 0.02 0.13 0.54 -0.44 1.01 0.00 0.00 176.35 177.62 1xfd s SER 504 N -2.70 -0.01 -0.04 2.29 0.01 -0.98 -1.13 113.70 111.15 1xfd s SER 504 Ca 0.30 -0.95 0.15 0.00 1.31 0.00 0.00 55.95 56.76 1xfd s SER 504 Cb -0.11 0.64 0.46 0.00 0.21 0.00 0.00 66.02 67.22 1xfd s SER 504 CO 0.23 -1.24 1.39 0.35 0.41 0.00 0.00 173.24 174.38 1xfd n THR 505 N -0.43 1.30 -0.22 1.44 -2.24 -0.33 -3.09 114.28 110.72 1xfd n THR 505 Ca -0.02 -1.15 0.23 0.00 -2.27 0.00 0.00 64.05 60.84 1xfd n THR 505 Cb 0.61 0.34 0.60 0.00 -2.10 0.00 0.00 70.33 69.78 1xfd n THR 505 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xfd h GLU 506 N 2.74 0.23 0.00 -0.78 4.81 -1.90 -2.86 114.58 116.81 1xfd h GLU 506 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xfd h GLU 506 Cb 0.99 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.32 1xfd h GLU 506 CO 0.07 0.15 0.00 -3.47 -0.73 0.00 0.00 179.01 175.03 1xfd n ASP 507 N -4.42 0.00 -3.89 1.04 -0.08 -1.26 -4.92 116.55 103.01 1xfd n ASP 507 Ca 0.19 0.26 -0.13 0.00 -1.51 0.00 0.00 54.79 53.60 1xfd n ASP 507 Cb 0.82 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 44.14 1xfd n ASP 507 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1xfd s LEU 508 N -0.90 2.00 0.61 -2.67 1.02 -1.08 -5.02 118.68 112.64 1xfd s LEU 508 Ca 0.00 -0.03 0.30 0.00 0.02 0.00 0.00 54.13 54.42 1xfd s LEU 508 Cb 0.00 -0.07 1.63 0.00 0.02 0.00 0.00 46.19 47.77 1xfd s LEU 508 CO 0.00 0.01 2.00 1.55 0.02 0.00 0.00 176.35 179.93 1xfd h PRO 509 N 6.10 0.00 -0.08 1.29 0.13 -1.89 0.27 132.00 137.83 1xfd h PRO 509 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1xfd h PRO 509 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1xfd h PRO 509 CO 0.51 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.82 1xfd n ARG 510 N -3.50 1.23 -4.42 0.86 1.74 -1.26 -4.86 116.66 106.44 1xfd n ARG 510 Ca 0.03 -0.35 -0.20 0.00 -0.77 0.00 0.00 57.85 56.56 1xfd n ARG 510 Cb 0.44 -1.19 -0.10 0.00 -1.02 0.00 0.00 32.46 30.59 1xfd n ARG 510 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1xfd s ARG 511 N -1.90 1.60 -0.22 5.56 0.52 0.96 -1.23 118.95 124.23 1xfd s ARG 511 Ca 0.17 -1.88 -0.04 0.00 -0.52 0.00 0.00 55.73 53.46 1xfd s ARG 511 Cb 0.08 -0.69 0.08 0.00 0.52 0.00 0.00 34.95 34.94 1xfd s ARG 511 CO 0.13 -0.23 0.10 1.03 0.02 0.00 0.00 175.30 176.36 1xfd s ARG 512 N -3.93 0.17 0.09 3.54 3.00 -0.89 -4.50 118.95 116.43 1xfd s ARG 512 Ca 0.37 -0.31 0.06 0.00 0.00 0.00 0.00 55.73 55.85 1xfd s ARG 512 Cb 0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 34.95 33.40 1xfd s ARG 512 CO 0.15 -0.81 -0.08 -0.65 0.00 0.00 0.00 175.30 173.91 1xfd s GLN 513 N 2.09 2.25 -0.10 3.54 -1.52 -1.18 -0.68 119.66 124.06 1xfd s GLN 513 Ca 0.05 -0.95 -0.22 0.00 -1.95 0.00 0.00 55.36 52.28 1xfd s GLN 513 Cb -0.16 -2.37 -0.03 0.00 -0.22 0.00 0.00 33.01 30.23 1xfd s GLN 513 CO -0.20 0.53 0.66 -1.17 -0.25 0.00 0.00 175.29 174.86 1xfd s LEU 514 N -2.10 4.28 0.00 2.90 2.96 -1.26 -2.32 118.68 123.14 1xfd s LEU 514 Ca 0.21 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 55.21 1xfd s LEU 514 Cb -0.11 -3.01 -0.00 0.00 0.50 0.00 0.00 46.19 43.57 1xfd s LEU 514 CO 0.13 -0.13 0.01 -1.22 -1.32 0.00 0.00 176.35 173.82 1xfd n TYR 515 N 4.00 0.18 -3.57 5.38 4.02 0.13 -1.58 117.16 125.72 1xfd n TYR 515 Ca -0.02 -0.54 -0.15 0.00 -0.01 0.00 0.00 57.90 57.19 1xfd n TYR 515 Cb 0.51 -0.05 -0.06 0.00 -0.02 0.00 0.00 39.34 39.72 1xfd n TYR 515 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1xfd s SER 516 N -1.57 -0.59 0.09 7.72 1.04 -0.91 -2.69 113.70 116.79 1xfd s SER 516 Ca 0.01 0.79 -0.01 0.00 0.48 0.00 0.00 55.95 57.23 1xfd s SER 516 Cb 0.00 0.69 -0.04 0.00 0.10 0.00 0.00 66.02 66.77 1xfd s SER 516 CO 0.01 -0.43 0.02 0.00 0.98 0.00 0.00 173.24 173.82 1xfd s ALA 517 N -0.74 0.69 -0.19 5.32 0.00 -0.73 -1.52 121.76 124.60 1xfd s ALA 517 Ca -0.05 -1.35 -0.18 0.00 0.00 0.00 0.00 51.96 50.38 1xfd s ALA 517 Cb -0.02 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1xfd s ALA 517 CO 0.05 -0.44 0.48 -0.80 0.00 0.00 0.00 175.76 175.05 1xfd s ASN 518 N -2.99 6.55 0.35 0.00 0.02 -1.22 -1.41 114.94 116.24 1xfd s ASN 518 Ca 0.16 0.66 0.26 0.00 -1.02 0.00 0.00 52.86 52.92 1xfd s ASN 518 Cb 0.08 -2.28 1.19 0.00 0.02 0.00 0.00 41.25 40.26 1xfd s ASN 518 CO -0.04 -0.12 1.78 0.00 0.02 0.00 0.00 177.10 178.75 1xfd h THR 519 N 5.03 0.00 -5.50 1.60 1.03 -1.82 -3.28 112.91 109.97 1xfd h THR 519 Ca -0.36 -0.20 -0.49 0.00 -0.01 0.00 0.00 66.41 65.35 1xfd h THR 519 Cb 1.16 0.92 -0.05 0.00 -1.07 0.00 0.00 68.15 69.12 1xfd h THR 519 CO 0.74 0.00 -0.25 0.52 -0.01 0.00 0.00 175.52 176.52 1xfd n VAL 520 N -2.43 0.00 0.00 0.00 0.31 -1.26 -4.97 118.33 109.98 1xfd n VAL 520 Ca 0.01 -1.85 0.00 0.00 -0.01 0.00 0.00 64.34 62.48 1xfd n VAL 520 Cb 0.18 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 1xfd n VAL 520 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1xfd n GLY 521 N -0.53 0.00 0.10 2.92 0.00 -1.26 -2.57 105.19 103.85 1xfd n GLY 521 Ca -0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 1xfd n GLY 521 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xfd n ASN 522 N 0.00 1.87 -0.29 1.61 3.02 -1.26 -5.02 115.26 115.19 1xfd n ASN 522 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1xfd n ASN 522 Cb 0.00 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 1xfd n ASN 522 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1xfd n PHE 523 N -4.44 0.00 -2.29 3.10 3.72 -1.06 -4.99 117.46 111.50 1xfd n PHE 523 Ca -0.31 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.67 1xfd n PHE 523 Cb 0.63 -0.96 -0.03 0.00 -0.94 0.00 0.00 39.48 38.19 1xfd n PHE 523 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 1xfd s ASN 524 N -2.96 6.93 -0.21 4.37 -0.87 -1.26 -4.52 114.94 116.42 1xfd s ASN 524 Ca 0.00 2.09 -0.16 0.00 -1.57 0.00 0.00 52.86 53.22 1xfd s ASN 524 Cb 0.00 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.62 1xfd s ASN 524 CO 0.00 -0.63 0.42 -0.13 -2.57 0.00 0.00 177.10 174.20 1xfd s ARG 525 N 1.79 4.15 -0.16 -0.60 0.52 -1.26 -3.42 118.95 119.98 1xfd s ARG 525 Ca 0.62 0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 56.05 1xfd s ARG 525 Cb -0.31 -3.56 -0.01 0.00 0.52 0.00 0.00 34.95 31.59 1xfd s ARG 525 CO 0.27 -0.10 -0.11 -1.14 0.02 0.00 0.00 175.30 174.24 1xfd s GLN 526 N 1.51 3.35 -0.70 3.54 0.74 -0.58 -4.97 119.66 122.55 1xfd s GLN 526 Ca 0.20 -0.68 -0.21 0.00 0.05 0.00 0.00 55.36 54.72 1xfd s GLN 526 Cb -0.15 -2.73 0.09 0.00 1.10 0.00 0.00 33.01 31.32 1xfd s GLN 526 CO 0.08 0.06 0.93 0.00 -0.55 0.00 0.00 175.29 175.82 1xfd h LEU 528 N 10.77 0.43 0.00 0.00 4.07 -1.60 -3.35 115.31 125.63 1xfd h LEU 528 Ca -0.19 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.80 1xfd h LEU 528 Cb 1.06 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.76 1xfd h LEU 528 CO 1.14 0.29 0.00 -1.54 -1.08 0.00 0.00 178.44 177.25 1xfd n SER 529 N -4.85 0.00 0.00 -0.43 3.41 -1.12 -4.79 113.62 105.84 1xfd n SER 529 Ca 0.07 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 1xfd n SER 529 Cb 0.17 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1xfd n SER 529 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xfd n ASP 531 N 0.59 -5.63 -4.88 0.00 8.00 -1.26 -4.98 116.55 108.39 1xfd n ASP 531 Ca 0.00 0.07 -0.27 0.00 0.71 0.00 0.00 54.79 55.31 1xfd n ASP 531 Cb 0.00 -3.39 0.08 0.00 -0.02 0.00 0.00 41.12 37.79 1xfd n ASP 531 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1xfd s LEU 532 N -0.66 2.75 -0.06 0.64 0.20 0.92 -4.29 118.68 118.19 1xfd s LEU 532 Ca 0.00 0.49 -0.00 0.00 0.69 0.00 0.00 54.13 55.31 1xfd s LEU 532 Cb 0.00 -3.07 0.00 0.00 -0.43 0.00 0.00 46.19 42.69 1xfd s LEU 532 CO 0.00 -1.73 0.04 1.33 -0.29 0.00 0.00 176.35 175.70 1xfd n VAL 533 N -3.05 -0.20 -0.44 1.68 0.24 -1.26 -4.81 118.33 110.50 1xfd n VAL 533 Ca 0.09 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.34 62.11 1xfd n VAL 533 Cb 0.61 -0.17 0.22 0.00 -1.47 0.00 0.00 33.84 33.02 1xfd n VAL 533 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1xfd n GLU 534 N -0.73 -3.14 -0.90 7.34 -0.58 -1.26 -4.04 120.64 117.32 1xfd n GLU 534 Ca -0.02 -0.92 0.00 0.00 -0.42 0.00 0.00 57.16 55.80 1xfd n GLU 534 Cb 0.04 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.13 1xfd n GLU 534 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1xfd n ASN 535 N -3.55 -2.09 -3.64 1.62 2.85 -1.26 -4.99 115.26 104.19 1xfd n ASN 535 Ca 0.07 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.47 1xfd n ASN 535 Cb 0.52 -0.35 -0.07 0.00 1.24 0.00 0.00 39.78 41.12 1xfd n ASN 535 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xfd n THR 537 N 4.31 0.29 -4.00 0.00 -2.24 -0.20 -4.79 114.28 107.64 1xfd n THR 537 Ca -0.20 -0.56 -0.36 0.00 -2.27 0.00 0.00 64.05 60.66 1xfd n THR 537 Cb 0.59 0.96 -0.08 0.00 -2.10 0.00 0.00 70.33 69.70 1xfd n THR 537 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1xfd s TYR 538 N -0.29 3.40 0.05 4.78 6.14 -0.84 -2.09 117.35 128.49 1xfd s TYR 538 Ca 0.00 0.32 -0.05 0.00 0.64 0.00 0.00 57.07 57.99 1xfd s TYR 538 Cb 0.00 -1.97 -0.02 0.00 0.42 0.00 0.00 41.96 40.40 1xfd s TYR 538 CO 0.00 0.49 0.07 -0.06 0.64 0.00 0.00 175.55 176.69 1xfd s PHE 539 N -0.50 0.27 0.03 4.97 0.08 0.14 -4.14 117.98 118.84 1xfd s PHE 539 Ca 0.11 -0.66 -0.06 0.00 0.12 0.00 0.00 56.93 56.44 1xfd s PHE 539 Cb -0.12 -0.19 -0.01 0.00 -0.57 0.00 0.00 43.02 42.13 1xfd s PHE 539 CO 0.02 -0.39 0.11 0.45 -0.10 0.00 0.00 175.22 175.31 1xfd s SER 540 N -2.39 0.14 0.04 1.36 0.15 -0.52 -4.79 113.70 107.69 1xfd s SER 540 Ca -0.01 -0.45 -0.28 0.00 0.70 0.00 0.00 55.95 55.91 1xfd s SER 540 Cb 0.01 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1xfd s SER 540 CO -0.07 -0.48 0.98 0.00 1.20 0.00 0.00 173.24 174.87 1xfd s ALA 541 N -2.30 -1.82 -0.08 5.45 0.00 -1.26 -0.32 121.76 121.43 1xfd s ALA 541 Ca -0.07 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.47 1xfd s ALA 541 Cb -0.03 0.45 0.03 0.00 0.00 0.00 0.00 23.12 23.57 1xfd s ALA 541 CO -0.03 -0.85 0.30 -1.54 0.00 0.00 0.00 175.76 173.64 1xfd s SER 542 N -2.68 -0.27 0.17 0.00 1.04 -0.42 -4.96 113.70 106.58 1xfd s SER 542 Ca 0.09 0.44 0.04 0.00 0.48 0.00 0.00 55.95 57.00 1xfd s SER 542 Cb -0.01 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 1xfd s SER 542 CO -0.04 -0.21 0.19 -0.36 0.98 0.00 0.00 173.24 173.80 1xfd s PHE 543 N -0.30 3.25 1.15 5.02 0.40 -1.26 0.42 117.98 126.66 1xfd s PHE 543 Ca -0.04 0.02 -0.13 0.00 -0.60 0.00 0.00 56.93 56.18 1xfd s PHE 543 Cb -0.03 -1.55 0.28 0.00 0.51 0.00 0.00 43.02 42.22 1xfd s PHE 543 CO 0.01 0.52 1.04 -1.54 0.70 0.00 0.00 175.22 175.95 1xfd s SER 544 N -3.20 1.15 0.00 1.36 1.04 0.16 -4.79 113.70 109.42 1xfd s SER 544 Ca 0.32 1.41 0.00 0.00 0.48 0.00 0.00 55.95 58.16 1xfd s SER 544 Cb -0.10 -2.19 0.00 0.00 0.10 0.00 0.00 66.02 63.83 1xfd s SER 544 CO 0.25 -4.08 0.51 1.41 0.98 0.00 0.00 173.24 172.32 1xfd n HIS 545 N -4.83 0.00 -1.75 5.02 8.25 0.22 -1.71 115.22 120.43 1xfd n HIS 545 Ca 0.03 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 1xfd n HIS 545 Cb 0.55 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1xfd n HIS 545 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1xfd n SER 546 N 0.77 0.00 0.00 0.41 7.64 -1.26 -4.55 113.62 116.63 1xfd n SER 546 Ca 0.00 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1xfd n SER 546 Cb 0.25 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 1xfd n SER 546 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1xfd n MET 547 N 0.00 0.00 -0.13 1.43 0.00 -0.69 -4.82 117.12 112.91 1xfd n MET 547 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 57.70 57.57 1xfd n MET 547 Cb 0.41 -3.42 -0.08 0.00 0.00 0.00 0.00 33.22 30.12 1xfd n MET 547 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1xfd h ASP 548 N 0.00 -1.71 -1.26 7.83 3.45 -1.86 -3.37 116.42 119.51 1xfd h ASP 548 Ca 0.00 0.23 -0.62 0.00 0.43 0.00 0.00 57.03 57.07 1xfd h ASP 548 Cb 0.00 0.71 -0.11 0.00 -0.56 0.00 0.00 39.33 39.37 1xfd h ASP 548 CO 0.00 -0.40 -0.53 -0.36 -1.57 0.00 0.00 179.24 176.38 1xfd s PHE 549 N -5.72 2.33 -0.26 4.55 0.08 -1.26 0.21 117.98 117.90 1xfd s PHE 549 Ca -0.15 -0.73 -0.22 0.00 0.12 0.00 0.00 56.93 55.96 1xfd s PHE 549 Cb 0.10 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.82 1xfd s PHE 549 CO 0.63 0.27 0.68 -0.59 -0.10 0.00 0.00 175.22 176.10 1xfd s PHE 550 N -2.73 -0.81 0.18 0.36 -0.12 -0.43 -0.67 117.98 113.76 1xfd s PHE 550 Ca 0.29 1.88 -0.28 0.00 -0.05 0.00 0.00 56.93 58.77 1xfd s PHE 550 Cb 0.06 0.34 -0.08 0.00 -0.63 0.00 0.00 43.02 42.71 1xfd s PHE 550 CO 0.16 -0.40 0.89 -0.51 -0.05 0.00 0.00 175.22 175.31 1xfd s LEU 551 N 0.67 4.59 -0.09 -1.99 1.43 0.17 -2.46 118.68 120.98 1xfd s LEU 551 Ca -0.02 1.80 -0.01 0.00 -1.03 0.00 0.00 54.13 54.87 1xfd s LEU 551 Cb -0.05 -3.50 0.03 0.00 0.03 0.00 0.00 46.19 42.70 1xfd s LEU 551 CO -0.04 0.11 -0.05 -0.22 0.23 0.00 0.00 176.35 176.38 1xfd s LEU 552 N -0.81 0.96 -0.07 1.79 1.98 -0.19 -1.30 118.68 121.04 1xfd s LEU 552 Ca 0.41 -0.21 0.04 0.00 -2.89 0.00 0.00 54.13 51.47 1xfd s LEU 552 Cb -0.24 -0.67 -0.02 0.00 0.66 0.00 0.00 46.19 45.92 1xfd s LEU 552 CO 0.29 -0.14 -0.17 -1.59 -1.89 0.00 0.00 176.35 172.85 1xfd s LYS 553 N 1.77 2.68 0.00 1.98 -2.85 0.57 -0.34 119.74 123.54 1xfd s LYS 553 Ca 0.04 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 1xfd s LYS 553 Cb -0.13 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.28 1xfd s LYS 553 CO -0.07 0.47 0.00 0.00 0.10 0.00 0.00 175.35 175.86 1xfd n GLU 555 N 0.00 0.00 0.00 0.00 1.02 -1.26 -3.28 120.64 117.12 1xfd n GLU 555 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xfd n GLU 555 Cb 0.00 -0.87 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1xfd n GLU 555 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfd n GLY 556 N -2.00 3.02 0.14 0.62 0.00 -1.26 0.22 105.19 105.93 1xfd n GLY 556 Ca 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.63 1xfd n GLY 556 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xfd h PRO 557 N 0.00 0.00 -7.53 1.61 0.11 -1.45 -0.36 132.00 124.39 1xfd h PRO 557 Ca 0.00 0.00 -0.48 0.00 0.11 0.00 0.00 66.00 65.63 1xfd h PRO 557 Cb 0.00 0.00 0.10 0.00 0.11 0.00 0.00 31.00 31.21 1xfd h PRO 557 CO 0.00 0.59 0.38 0.20 -0.21 0.00 0.00 178.00 178.96 1xfd s GLY 558 N -4.48 1.60 0.05 -0.55 0.00 0.50 -4.43 107.32 100.02 1xfd s GLY 558 Ca 0.01 -0.47 -0.38 0.00 0.00 0.00 0.00 44.72 43.88 1xfd s GLY 558 CO 0.75 -0.02 1.20 -0.62 0.00 0.00 0.00 173.10 174.41 1xfd n VAL 559 N -3.31 0.07 -1.43 1.40 0.31 -1.26 -4.69 118.33 109.43 1xfd n VAL 559 Ca 0.07 -0.02 -0.36 0.00 -0.01 0.00 0.00 64.34 64.02 1xfd n VAL 559 Cb 0.59 -0.44 0.08 0.00 -0.91 0.00 0.00 33.84 33.15 1xfd n VAL 559 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xfd n PRO 560 N 2.01 0.60 -3.56 5.55 -0.02 -1.26 -4.84 135.00 133.48 1xfd n PRO 560 Ca 0.19 0.26 -0.08 0.00 -2.02 0.00 0.00 63.50 61.85 1xfd n PRO 560 Cb 0.14 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.42 1xfd n PRO 560 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xfd s MET 561 N -3.15 1.02 -0.09 -0.52 0.23 -1.26 -4.64 119.30 110.89 1xfd s MET 561 Ca 0.74 -0.44 0.04 0.00 -1.03 0.00 0.00 55.69 55.00 1xfd s MET 561 Cb -0.36 0.43 -0.00 0.00 -1.53 0.00 0.00 34.83 33.36 1xfd s MET 561 CO 0.50 -0.45 -0.24 0.08 -2.03 0.00 0.00 175.02 172.88 1xfd s VAL 562 N -3.28 2.04 0.28 5.16 1.01 -0.26 -0.98 120.40 124.36 1xfd s VAL 562 Ca 0.06 -1.02 0.05 0.00 0.00 0.00 0.00 61.98 61.08 1xfd s VAL 562 Cb -0.01 -1.75 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 1xfd s VAL 562 CO -0.06 0.56 -0.01 -0.89 0.00 0.00 0.00 175.10 174.69 1xfd s THR 563 N 0.25 1.37 -0.06 3.92 2.01 0.53 -1.25 115.64 122.42 1xfd s THR 563 Ca -0.16 -2.06 0.02 0.00 0.31 0.00 0.00 61.69 59.80 1xfd s THR 563 Cb -0.17 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.83 1xfd s THR 563 CO 0.08 -0.22 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.98 1xfd s VAL 564 N -3.19 1.09 0.17 3.82 1.01 -0.90 -1.03 120.40 121.37 1xfd s VAL 564 Ca 0.31 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.85 1xfd s VAL 564 Cb 0.06 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.39 1xfd s VAL 564 CO 0.12 0.34 -0.02 -1.00 0.00 0.00 0.00 175.10 174.54 1xfd s HIS 565 N 0.60 1.24 -0.42 5.22 3.76 -1.03 0.92 115.29 125.58 1xfd s HIS 565 Ca -0.13 -0.95 -0.11 0.00 -0.15 0.00 0.00 55.06 53.72 1xfd s HIS 565 Cb -0.15 -0.69 0.06 0.00 1.11 0.00 0.00 32.58 32.91 1xfd s HIS 565 CO 0.03 -0.13 0.27 0.54 -0.85 0.00 0.00 174.74 174.61 1xfd s ASN 566 N -3.18 5.79 0.00 1.40 4.22 -1.24 -1.31 114.94 120.63 1xfd s ASN 566 Ca 0.22 -1.29 0.00 0.00 -2.14 0.00 0.00 52.86 49.65 1xfd s ASN 566 Cb 0.05 -2.05 0.00 0.00 1.28 0.00 0.00 41.25 40.54 1xfd s ASN 566 CO 0.03 -0.51 0.00 1.07 -2.04 0.00 0.00 177.10 175.65 1xfd n THR 567 N 5.01 0.00 0.00 0.54 5.66 0.57 -1.34 114.28 124.72 1xfd n THR 567 Ca -0.11 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 1xfd n THR 567 Cb 0.44 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1xfd n THR 567 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1xfd n THR 568 N -3.08 0.00 -0.29 1.09 -2.24 -1.26 -3.99 114.28 104.52 1xfd n THR 568 Ca 0.00 1.10 0.03 0.00 -2.27 0.00 0.00 64.05 62.91 1xfd n THR 568 Cb 0.00 -2.02 0.11 0.00 -2.10 0.00 0.00 70.33 66.33 1xfd n THR 568 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1xfd h ASP 569 N 0.00 -0.71 0.00 3.42 1.82 -1.58 -3.45 116.42 115.91 1xfd h ASP 569 Ca 0.00 0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 1xfd h ASP 569 Cb 0.00 0.49 0.00 0.00 0.68 0.00 0.00 39.33 40.50 1xfd h ASP 569 CO 0.00 -0.26 0.00 0.29 -1.61 0.00 0.00 179.24 177.66 1xfd n LYS 570 N -5.51 0.00 -2.80 0.28 5.02 -0.52 -5.00 118.16 109.62 1xfd n LYS 570 Ca 0.12 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 1xfd n LYS 570 Cb 0.43 -2.56 -0.03 0.00 -0.02 0.00 0.00 35.03 32.85 1xfd n LYS 570 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xfd s LYS 571 N -0.10 4.47 -0.65 1.97 2.20 -1.26 -4.84 119.74 121.53 1xfd s LYS 571 Ca 0.00 1.24 -0.26 0.00 -0.36 0.00 0.00 55.97 56.59 1xfd s LYS 571 Cb 0.00 -3.49 -0.10 0.00 -1.51 0.00 0.00 37.83 32.73 1xfd s LYS 571 CO 0.00 -0.11 2.37 0.21 -0.36 0.00 0.00 175.35 177.46 1xfd s LYS 572 N 1.31 1.90 0.63 4.03 2.20 -1.26 -3.62 119.74 124.93 1xfd s LYS 572 Ca 0.46 0.89 0.39 0.00 -0.36 0.00 0.00 55.97 57.35 1xfd s LYS 572 Cb -0.19 -4.69 2.15 0.00 -1.51 0.00 0.00 37.83 33.59 1xfd s LYS 572 CO 0.22 -3.81 2.30 0.52 -0.36 0.00 0.00 175.35 174.22 1xfd h MET 573 N 15.96 0.00 0.00 4.03 2.86 0.19 -3.47 114.93 134.51 1xfd h MET 573 Ca -0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 1xfd h MET 573 Cb 1.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1xfd h MET 573 CO 1.09 0.01 0.00 1.97 1.06 0.00 0.00 176.91 181.04 1xfd n PHE 574 N -3.33 0.00 -3.85 -0.22 -1.74 -1.22 -5.02 117.46 102.07 1xfd n PHE 574 Ca -0.03 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.50 1xfd n PHE 574 Cb 0.10 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.03 1xfd n PHE 574 CO 0.00 0.00 0.00 -0.51 -0.56 0.00 0.00 176.76 175.69 1xfd s ASP 575 N 0.00 6.26 -0.19 5.98 1.01 -1.26 -2.13 116.67 126.34 1xfd s ASP 575 Ca 0.00 0.36 -0.04 0.00 0.71 0.00 0.00 52.55 53.59 1xfd s ASP 575 Cb 0.00 -2.05 -0.21 0.00 1.01 0.00 0.00 42.92 41.67 1xfd s ASP 575 CO 0.00 0.32 0.06 -0.11 0.21 0.00 0.00 175.17 175.65 1xfd n LEU 576 N 2.56 2.74 -3.69 1.23 7.94 -0.38 -4.95 117.00 122.45 1xfd n LEU 576 Ca -0.18 0.06 -0.10 0.00 -1.11 0.00 0.00 56.01 54.68 1xfd n LEU 576 Cb 0.54 -1.01 -0.10 0.00 0.53 0.00 0.00 43.42 43.38 1xfd n LEU 576 CO 0.33 0.86 0.06 -0.70 -1.11 0.00 0.00 177.39 176.83 1xfd s GLU 577 N -2.53 0.39 -0.02 1.96 2.56 -1.07 -4.98 118.70 115.01 1xfd s GLU 577 Ca -0.29 0.86 0.08 0.00 0.00 0.00 0.00 54.97 55.62 1xfd s GLU 577 Cb 0.08 0.05 -0.13 0.00 2.00 0.00 0.00 34.13 36.14 1xfd s GLU 577 CO 0.67 -0.18 0.16 -2.37 -0.56 0.00 0.00 175.26 172.99 1xfd n THR 578 N 4.50 0.09 -3.50 -1.70 5.66 -1.26 -1.11 114.28 116.97 1xfd n THR 578 Ca -0.20 -0.22 -0.23 0.00 -3.05 0.00 0.00 64.05 60.34 1xfd n THR 578 Cb 0.54 0.12 0.05 0.00 -1.55 0.00 0.00 70.33 69.49 1xfd n THR 578 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1xfd n ASN 579 N -1.89 -5.31 -0.18 1.09 3.02 -1.26 -4.81 115.26 105.92 1xfd n ASN 579 Ca -0.04 -0.86 -0.08 0.00 -0.03 0.00 0.00 54.58 53.58 1xfd n ASN 579 Cb 0.32 -4.26 0.07 0.00 -0.61 0.00 0.00 39.78 35.29 1xfd n ASN 579 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1xfd h GLU 580 N -1.56 0.99 -0.74 3.52 4.57 -1.96 -2.48 114.58 116.92 1xfd h GLU 580 Ca -0.63 -0.31 0.08 0.00 -1.18 0.00 0.00 59.36 57.32 1xfd h GLU 580 Cb 1.34 -0.09 -0.11 0.00 -0.16 0.00 0.00 28.75 29.73 1xfd h GLU 580 CO 0.47 0.98 -0.55 0.45 -1.18 0.00 0.00 179.01 179.18 1xfd h HIS 581 N 0.90 -1.71 -0.50 0.92 3.86 -1.90 0.25 115.15 116.97 1xfd h HIS 581 Ca 0.16 0.11 0.02 0.00 -1.16 0.00 0.00 60.37 59.50 1xfd h HIS 581 Cb 0.55 0.85 -0.03 0.00 1.06 0.00 0.00 27.41 29.83 1xfd h HIS 581 CO 0.04 -0.42 0.30 0.28 0.86 0.00 0.00 177.93 178.98 1xfd h VAL 582 N -0.17 1.05 -0.51 2.45 2.07 -1.49 -1.09 116.25 118.56 1xfd h VAL 582 Ca 0.14 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1xfd h VAL 582 Cb 0.51 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1xfd h VAL 582 CO -0.79 0.11 0.29 0.11 0.02 0.00 0.00 177.57 177.31 1xfd h LYS 583 N 0.59 0.68 0.11 1.57 1.57 -0.65 0.29 116.57 120.73 1xfd h LYS 583 Ca 0.20 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1xfd h LYS 583 Cb 0.02 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1xfd h LYS 583 CO -0.09 0.49 -0.05 -0.22 -0.57 0.00 0.00 179.45 179.00 1xfd h LYS 584 N 0.70 -0.14 -0.99 3.15 3.64 0.02 -2.78 116.57 120.17 1xfd h LYS 584 Ca 0.18 0.01 0.33 0.00 -1.27 0.00 0.00 60.65 59.91 1xfd h LYS 584 Cb -0.01 0.03 -0.16 0.00 -0.41 0.00 0.00 32.23 31.69 1xfd h LYS 584 CO -0.03 -0.10 0.52 0.00 -2.27 0.00 0.00 179.45 177.57 1xfd h ALA 585 N -1.87 1.92 -0.53 5.00 0.00 -1.11 0.29 119.26 122.96 1xfd h ALA 585 Ca -0.02 0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1xfd h ALA 585 Cb 0.11 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1xfd h ALA 585 CO 0.03 -0.64 0.02 0.97 0.00 0.00 0.00 179.25 179.62 1xfd h ILE 586 N 0.24 1.26 0.00 0.00 2.10 -1.00 -2.56 117.51 117.55 1xfd h ILE 586 Ca 0.74 -1.08 0.00 0.00 1.08 0.00 0.00 64.86 65.60 1xfd h ILE 586 Cb 1.73 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 1xfd h ILE 586 CO -0.65 0.38 0.00 0.59 -1.08 0.00 0.00 178.15 177.39 1xfd n ASN 587 N -4.30 0.00 -0.68 2.19 3.02 0.99 -1.40 115.26 115.09 1xfd n ASN 587 Ca 0.02 0.47 0.13 0.00 -0.03 0.00 0.00 54.58 55.16 1xfd n ASN 587 Cb 0.32 -0.48 0.25 0.00 -0.61 0.00 0.00 39.78 39.26 1xfd n ASN 587 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1xfd n ASP 588 N -1.48 2.20 -4.37 6.41 10.43 -0.97 -4.94 116.55 123.83 1xfd n ASP 588 Ca 0.03 -1.67 -0.26 0.00 2.57 0.00 0.00 54.79 55.46 1xfd n ASP 588 Cb 0.15 0.07 -0.12 0.00 1.84 0.00 0.00 41.12 43.06 1xfd n ASP 588 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1xfd s ARG 589 N -2.11 1.38 -1.38 -1.24 3.52 -0.49 -4.01 118.95 114.62 1xfd s ARG 589 Ca 0.30 -1.40 -0.14 0.00 -0.13 0.00 0.00 55.73 54.36 1xfd s ARG 589 Cb 0.20 -1.68 -0.02 0.00 -1.56 0.00 0.00 34.95 31.90 1xfd s ARG 589 CO 0.37 0.37 2.33 1.04 -0.81 0.00 0.00 175.30 178.60 1xfd n GLN 590 N 0.55 2.82 -1.66 5.12 6.02 -0.85 -4.96 117.38 124.43 1xfd n GLN 590 Ca -0.15 -2.37 -0.44 0.00 -0.01 0.00 0.00 57.00 54.02 1xfd n GLN 590 Cb 0.55 -3.11 -0.02 0.00 1.02 0.00 0.00 30.24 28.68 1xfd n GLN 590 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1xfd n MET 591 N 5.63 1.89 -1.19 -1.09 2.81 -1.26 -4.72 117.12 119.18 1xfd n MET 591 Ca 0.57 0.67 -0.34 0.00 -1.81 0.00 0.00 57.70 56.78 1xfd n MET 591 Cb 0.35 -2.24 0.11 0.00 -0.71 0.00 0.00 33.22 30.73 1xfd n MET 591 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1xfd n PRO 592 N 1.31 0.29 -3.54 0.03 -0.04 -1.26 -4.42 135.00 127.37 1xfd n PRO 592 Ca 0.09 0.17 -0.38 0.00 -0.04 0.00 0.00 63.50 63.34 1xfd n PRO 592 Cb 0.33 -2.35 -0.10 0.00 -0.04 0.00 0.00 33.50 31.34 1xfd n PRO 592 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1xfd s LYS 593 N -3.84 4.04 0.54 0.54 2.20 0.34 -4.84 119.74 118.72 1xfd s LYS 593 Ca 0.73 -0.14 -0.15 0.00 -0.36 0.00 0.00 55.97 56.05 1xfd s LYS 593 Cb -0.31 -3.60 -0.07 0.00 -1.51 0.00 0.00 37.83 32.35 1xfd s LYS 593 CO 0.51 -0.10 0.99 0.08 -0.36 0.00 0.00 175.35 176.47 1xfd s VAL 594 N 1.52 4.59 -0.30 4.02 1.01 -1.26 -0.28 120.40 129.71 1xfd s VAL 594 Ca 0.11 1.09 -0.14 0.00 0.00 0.00 0.00 61.98 63.04 1xfd s VAL 594 Cb -0.15 -3.76 0.14 0.00 0.00 0.00 0.00 36.38 32.61 1xfd s VAL 594 CO 0.08 -0.81 0.85 -1.61 0.00 0.00 0.00 175.10 173.61 1xfd s GLU 595 N -4.37 0.44 -0.12 2.72 2.02 -0.88 -4.92 118.70 113.60 1xfd s GLU 595 Ca 0.57 1.01 -0.05 0.00 0.02 0.00 0.00 54.97 56.52 1xfd s GLU 595 Cb -0.10 0.51 -0.04 0.00 0.10 0.00 0.00 34.13 34.60 1xfd s GLU 595 CO 0.38 -0.13 0.08 0.71 0.02 0.00 0.00 175.26 176.31 1xfd s TYR 596 N 2.37 3.39 -0.42 1.61 1.51 -1.26 0.62 117.35 125.16 1xfd s TYR 596 Ca -0.05 0.35 0.07 0.00 -1.01 0.00 0.00 57.07 56.42 1xfd s TYR 596 Cb -0.08 -1.90 0.23 0.00 -0.11 0.00 0.00 41.96 40.10 1xfd s TYR 596 CO -0.18 0.56 0.57 -2.13 -1.11 0.00 0.00 175.55 173.27 1xfd n ARG 597 N 2.25 0.62 -1.66 -0.62 0.63 -0.95 -4.99 116.66 111.94 1xfd n ARG 597 Ca -0.19 -2.84 -0.58 0.00 -0.92 0.00 0.00 57.85 53.32 1xfd n ARG 597 Cb 0.54 -1.36 -0.07 0.00 0.45 0.00 0.00 32.46 32.02 1xfd n ARG 597 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1xfd n ASP 598 N 1.81 1.73 -2.31 6.15 9.92 -1.26 -4.24 116.55 128.34 1xfd n ASP 598 Ca 0.20 1.12 -0.03 0.00 -0.53 0.00 0.00 54.79 55.54 1xfd n ASP 598 Cb 0.54 -1.09 -0.00 0.00 -0.64 0.00 0.00 41.12 39.93 1xfd n ASP 598 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xfd n ILE 599 N 3.59 0.00 -3.61 0.53 0.00 0.20 -4.89 119.36 115.17 1xfd n ILE 599 Ca 0.24 -0.25 -0.10 0.00 0.00 0.00 0.00 62.75 62.65 1xfd n ILE 599 Cb 0.11 -0.32 -0.06 0.00 0.00 0.00 0.00 39.64 39.36 1xfd n ILE 599 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1xfd s GLU 600 N -2.24 0.54 -0.08 9.51 -1.05 -1.26 0.94 118.70 125.05 1xfd s GLU 600 Ca 0.03 0.42 -0.01 0.00 -0.15 0.00 0.00 54.97 55.26 1xfd s GLU 600 Cb -0.00 0.26 0.03 0.00 -0.44 0.00 0.00 34.13 33.97 1xfd s GLU 600 CO 0.02 -0.11 -0.03 0.42 0.95 0.00 0.00 175.26 176.51 1xfd s ILE 601 N -0.28 0.59 0.00 1.83 1.01 -0.46 -4.93 121.20 118.96 1xfd s ILE 601 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.64 1xfd s ILE 601 Cb -0.03 -0.69 0.00 0.00 0.01 0.00 0.00 42.46 41.75 1xfd s ILE 601 CO -0.03 0.29 0.00 0.47 0.00 0.00 0.00 174.94 175.67 1xfd n ASP 602 N 5.01 -2.00 -0.42 3.58 9.92 -1.26 -2.74 116.55 128.64 1xfd n ASP 602 Ca -0.10 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.16 1xfd n ASP 602 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 1xfd n ASP 602 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1xfd n ASP 603 N -2.17 0.33 -4.36 -2.24 5.75 -1.26 -4.70 116.55 107.90 1xfd n ASP 603 Ca 0.00 -0.78 -0.31 0.00 -0.01 0.00 0.00 54.79 53.69 1xfd n ASP 603 Cb 0.00 -0.16 -0.15 0.00 -1.03 0.00 0.00 41.12 39.78 1xfd n ASP 603 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1xfd s TYR 604 N -1.16 2.40 -0.26 2.11 1.51 -1.11 -5.11 117.35 115.73 1xfd s TYR 604 Ca 0.00 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.65 1xfd s TYR 604 Cb 0.00 -1.45 0.01 0.00 -0.11 0.00 0.00 41.96 40.41 1xfd s TYR 604 CO 0.00 0.11 -0.01 0.54 -1.11 0.00 0.00 175.55 175.08 1xfd s ASN 605 N -1.05 4.59 -0.41 2.29 4.22 -1.26 -1.36 114.94 121.96 1xfd s ASN 605 Ca 0.12 -0.74 -0.19 0.00 -2.14 0.00 0.00 52.86 49.91 1xfd s ASN 605 Cb -0.10 -1.75 0.02 0.00 1.28 0.00 0.00 41.25 40.69 1xfd s ASN 605 CO 0.02 -0.13 0.55 -0.76 -2.04 0.00 0.00 177.10 174.74 1xfd s LEU 606 N 1.41 4.57 0.69 3.54 1.43 0.27 -4.84 118.68 125.74 1xfd s LEU 606 Ca 0.02 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 52.60 1xfd s LEU 606 Cb -0.16 -2.60 0.02 0.00 0.03 0.00 0.00 46.19 43.48 1xfd s LEU 606 CO -0.02 -0.65 1.20 -2.84 0.23 0.00 0.00 176.35 174.28 1xfd s PRO 607 N 2.52 2.39 -0.29 1.29 0.02 -1.26 -0.63 135.00 139.04 1xfd s PRO 607 Ca 0.19 1.76 -0.00 0.00 0.02 0.00 0.00 61.00 62.97 1xfd s PRO 607 Cb -0.15 -1.86 0.19 0.00 0.02 0.00 0.00 34.50 32.70 1xfd s PRO 607 CO 0.16 -1.64 0.69 0.00 -0.33 0.00 0.00 177.00 175.88 1xfd s MET 608 N -3.78 0.48 0.22 5.54 0.23 -1.26 -1.71 119.30 119.02 1xfd s MET 608 Ca 0.75 0.62 -0.23 0.00 -1.03 0.00 0.00 55.69 55.80 1xfd s MET 608 Cb -0.29 0.31 -0.08 0.00 -1.53 0.00 0.00 34.83 33.24 1xfd s MET 608 CO 0.42 -0.74 0.78 1.14 -2.03 0.00 0.00 175.02 174.59 1xfd s GLN 609 N 2.87 4.43 -0.09 3.16 -2.07 -0.90 -2.23 119.66 124.83 1xfd s GLN 609 Ca 0.15 1.06 0.03 0.00 -1.82 0.00 0.00 55.36 54.78 1xfd s GLN 609 Cb -0.10 -3.02 0.00 0.00 -1.09 0.00 0.00 33.01 28.80 1xfd s GLN 609 CO -0.23 0.45 -0.20 -1.50 -1.32 0.00 0.00 175.29 172.49 1xfd s ILE 610 N -1.39 1.73 -0.24 3.63 1.10 0.20 -1.68 121.20 124.55 1xfd s ILE 610 Ca 0.41 -0.83 -0.10 0.00 -0.51 0.00 0.00 60.65 59.62 1xfd s ILE 610 Cb -0.20 -1.51 -0.05 0.00 0.15 0.00 0.00 42.46 40.85 1xfd s ILE 610 CO 0.24 0.49 0.15 -0.76 -2.11 0.00 0.00 174.94 172.95 1xfd s LEU 611 N 0.44 4.05 -0.07 8.50 1.43 -0.06 -2.07 118.68 130.90 1xfd s LEU 611 Ca -0.17 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.00 1xfd s LEU 611 Cb -0.17 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1xfd s LEU 611 CO 0.07 0.05 -0.02 -0.54 0.23 0.00 0.00 176.35 176.14 1xfd s LYS 612 N 1.15 2.88 0.00 1.70 1.02 0.61 -2.38 119.74 124.72 1xfd s LYS 612 Ca 0.07 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.59 1xfd s LYS 612 Cb -0.14 -2.71 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1xfd s LYS 612 CO 0.05 0.68 0.32 -0.35 -0.92 0.00 0.00 175.35 175.13 1xfd n PRO 613 N 2.10 0.00 0.00 -1.68 -0.04 -1.26 0.13 135.00 134.24 1xfd n PRO 613 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 1xfd n PRO 613 Cb 0.53 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1xfd n PRO 613 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xfd n ALA 614 N -0.81 0.00 -1.84 0.55 0.00 -1.26 -4.55 120.51 112.60 1xfd n ALA 614 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1xfd n ALA 614 Cb 0.32 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.92 1xfd n ALA 614 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xfd n THR 615 N -1.51 1.79 -1.98 0.00 -2.24 -1.26 -4.94 114.28 104.14 1xfd n THR 615 Ca 0.00 -2.90 -0.42 0.00 -2.27 0.00 0.00 64.05 58.46 1xfd n THR 615 Cb 0.00 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.16 1xfd n THR 615 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1xfd s PHE 616 N -2.67 2.62 0.00 4.78 5.36 -1.26 -5.02 117.98 121.80 1xfd s PHE 616 Ca 0.38 0.46 0.00 0.00 -0.96 0.00 0.00 56.93 56.81 1xfd s PHE 616 Cb 0.38 -3.91 0.00 0.00 -0.34 0.00 0.00 43.02 39.15 1xfd s PHE 616 CO -0.08 -3.55 0.00 2.41 -1.46 0.00 0.00 175.22 172.54 1xfd n THR 617 N 4.55 0.00 -0.06 0.12 -1.04 -1.26 -5.08 114.28 111.52 1xfd n THR 617 Ca 0.15 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1xfd n THR 617 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1xfd n THR 617 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1xfd n ASP 618 N 0.00 0.00 0.16 8.00 -0.08 -1.26 -4.91 116.55 118.46 1xfd n ASP 618 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 1xfd n ASP 618 Cb 0.00 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.43 1xfd n ASP 618 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1xfd h THR 619 N 0.00 0.00 -3.71 5.18 2.02 -1.98 -3.41 112.91 111.02 1xfd h THR 619 Ca 0.00 -0.29 -0.57 0.00 0.77 0.00 0.00 66.41 66.33 1xfd h THR 619 Cb 0.00 0.00 0.17 0.00 -1.74 0.00 0.00 68.15 66.58 1xfd h THR 619 CO 0.00 0.00 0.17 0.35 0.37 0.00 0.00 175.52 176.41 1xfd n THR 620 N -3.98 3.77 -4.17 3.16 -2.24 -1.26 -4.92 114.28 104.63 1xfd n THR 620 Ca -0.05 -0.47 -0.34 0.00 -2.27 0.00 0.00 64.05 60.91 1xfd n THR 620 Cb 0.17 -1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 67.11 1xfd n THR 620 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1xfd s HIS 621 N -1.56 3.14 0.19 4.78 0.09 -1.26 -4.62 115.29 116.04 1xfd s HIS 621 Ca 0.77 -0.12 0.06 0.00 -0.00 0.00 0.00 55.06 55.77 1xfd s HIS 621 Cb -0.39 -2.03 -0.04 0.00 -0.00 0.00 0.00 32.58 30.12 1xfd s HIS 621 CO 0.46 0.05 0.11 0.71 -0.00 0.00 0.00 174.74 176.07 1xfd s TYR 622 N 0.42 3.05 0.36 1.40 1.51 -0.77 -4.79 117.35 118.51 1xfd s TYR 622 Ca -0.00 -0.07 -0.20 0.00 -1.01 0.00 0.00 57.07 55.79 1xfd s TYR 622 Cb -0.13 -1.45 -0.10 0.00 -0.11 0.00 0.00 41.96 40.17 1xfd s TYR 622 CO 0.02 0.52 0.86 -1.25 -1.11 0.00 0.00 175.55 174.59 1xfd s PRO 623 N -3.21 4.22 -0.20 -1.71 0.04 -1.26 -2.03 135.00 130.85 1xfd s PRO 623 Ca 0.30 0.99 -0.08 0.00 0.04 0.00 0.00 61.00 62.25 1xfd s PRO 623 Cb -0.09 -2.44 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1xfd s PRO 623 CO 0.22 0.13 0.09 -1.17 0.04 0.00 0.00 177.00 176.31 1xfd s LEU 624 N -2.79 3.91 -0.35 -3.56 1.98 0.10 -2.54 118.68 115.44 1xfd s LEU 624 Ca 0.55 0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.91 1xfd s LEU 624 Cb -0.12 -2.01 0.10 0.00 0.66 0.00 0.00 46.19 44.82 1xfd s LEU 624 CO 0.17 0.14 0.07 -0.22 -1.89 0.00 0.00 176.35 174.62 1xfd s LEU 625 N 0.58 4.71 -0.35 -0.68 2.96 -0.41 0.22 118.68 125.72 1xfd s LEU 625 Ca 0.05 -2.02 -0.28 0.00 -0.22 0.00 0.00 54.13 51.66 1xfd s LEU 625 Cb -0.13 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1xfd s LEU 625 CO 0.01 -0.39 1.02 -0.22 -1.32 0.00 0.00 176.35 175.45 1xfd s LEU 626 N 0.99 3.93 -0.41 -0.68 0.20 0.11 -1.54 118.68 121.28 1xfd s LEU 626 Ca 0.08 0.85 -0.10 0.00 0.69 0.00 0.00 54.13 55.64 1xfd s LEU 626 Cb -0.20 -3.44 0.06 0.00 -0.43 0.00 0.00 46.19 42.18 1xfd s LEU 626 CO -0.07 -0.89 0.25 -0.69 -0.29 0.00 0.00 176.35 174.67 1xfd s VAL 627 N 3.63 4.45 -0.08 1.68 1.01 -0.76 -0.96 120.40 129.36 1xfd s VAL 627 Ca 0.43 -1.17 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1xfd s VAL 627 Cb -0.12 -3.63 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1xfd s VAL 627 CO 0.18 -0.42 -0.10 0.54 0.00 0.00 0.00 175.10 175.30 1xfd s VAL 628 N 1.49 3.43 0.00 2.92 0.11 0.03 -4.48 120.40 123.90 1xfd s VAL 628 Ca 0.03 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.51 1xfd s VAL 628 Cb -0.22 -2.40 0.00 0.00 -1.53 0.00 0.00 36.38 32.23 1xfd s VAL 628 CO 0.04 0.57 0.00 -0.67 -3.33 0.00 0.00 175.10 171.71 1xfd n ASP 629 N 2.63 0.00 -0.24 3.54 2.03 -1.26 -4.12 116.55 119.13 1xfd n ASP 629 Ca -0.18 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.10 1xfd n ASP 629 Cb 0.53 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.91 1xfd n ASP 629 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xfd n GLY 630 N 3.54 0.62 3.70 0.27 0.00 -1.26 -3.01 105.19 109.05 1xfd n GLY 630 Ca 0.00 -0.76 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 1xfd n GLY 630 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xfd s THR 631 N -2.09 3.14 0.03 2.61 2.01 -1.26 -4.87 115.64 115.21 1xfd s THR 631 Ca 0.00 0.72 -0.35 0.00 0.31 0.00 0.00 61.69 62.37 1xfd s THR 631 Cb 0.00 -3.46 -0.14 0.00 0.01 0.00 0.00 72.50 68.91 1xfd s THR 631 CO 0.00 0.03 1.67 -0.81 -0.69 0.00 0.00 174.62 174.82 1xfd n PRO 632 N 4.67 1.96 0.00 4.92 -0.04 -1.26 -1.25 135.00 144.01 1xfd n PRO 632 Ca 0.14 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 1xfd n PRO 632 Cb 0.41 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 1xfd n PRO 632 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xfd n GLY 633 N 3.72 2.87 2.56 0.55 0.00 0.24 -4.96 105.19 110.16 1xfd n GLY 633 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 1xfd n GLY 633 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xfd n SER 634 N 0.00 -1.17 -3.67 1.61 3.41 -0.38 -3.09 113.62 110.33 1xfd n SER 634 Ca 0.00 -1.09 -0.13 0.00 -0.26 0.00 0.00 58.87 57.39 1xfd n SER 634 Cb 0.00 -0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 63.11 1xfd n SER 634 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1xfd s GLN 635 N -4.85 0.16 -0.01 4.33 0.74 -1.26 -0.59 119.66 118.18 1xfd s GLN 635 Ca 0.51 0.75 0.22 0.00 0.05 0.00 0.00 55.36 56.89 1xfd s GLN 635 Cb -0.04 -0.03 -0.29 0.00 1.10 0.00 0.00 33.01 33.76 1xfd s GLN 635 CO 0.38 -0.27 0.59 0.43 -0.55 0.00 0.00 175.29 175.86 1xfd n SER 636 N 5.26 0.20 -4.22 6.67 7.64 -1.26 -4.81 113.62 123.09 1xfd n SER 636 Ca -0.08 -0.10 -0.41 0.00 1.01 0.00 0.00 58.87 59.29 1xfd n SER 636 Cb 0.50 1.73 -0.09 0.00 -1.01 0.00 0.00 64.21 65.35 1xfd n SER 636 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1xfd s VAL 637 N -3.44 4.23 0.07 0.44 1.01 -1.26 -4.92 120.40 116.53 1xfd s VAL 637 Ca -0.05 -1.71 -0.11 0.00 0.00 0.00 0.00 61.98 60.11 1xfd s VAL 637 Cb 0.14 -3.75 0.01 0.00 0.00 0.00 0.00 36.38 32.77 1xfd s VAL 637 CO 0.89 -0.73 0.24 0.00 0.00 0.00 0.00 175.10 175.50 1xfd s ALA 638 N 1.38 -0.45 -0.21 5.51 0.00 -1.26 -4.49 121.76 122.24 1xfd s ALA 638 Ca 0.05 -0.31 -0.00 0.00 0.00 0.00 0.00 51.96 51.70 1xfd s ALA 638 Cb -0.26 0.40 0.16 0.00 0.00 0.00 0.00 23.12 23.42 1xfd s ALA 638 CO -0.00 -0.45 1.95 0.39 0.00 0.00 0.00 175.76 177.64 1xfd n GLU 639 N 0.30 1.55 -2.27 0.00 1.02 -0.37 -4.92 120.64 115.95 1xfd n GLU 639 Ca -0.17 -1.08 -0.28 0.00 -0.02 0.00 0.00 57.16 55.61 1xfd n GLU 639 Cb 0.61 -1.42 0.02 0.00 -0.02 0.00 0.00 31.44 30.62 1xfd n GLU 639 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1xfd s LYS 640 N -1.25 3.24 -0.44 3.49 1.02 -1.26 -1.78 119.74 122.76 1xfd s LYS 640 Ca 0.21 0.30 -0.19 0.00 0.02 0.00 0.00 55.97 56.31 1xfd s LYS 640 Cb 0.17 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.29 1xfd s LYS 640 CO 0.00 -0.58 0.52 0.12 -0.92 0.00 0.00 175.35 174.50 1xfd s PHE 641 N -3.02 3.12 0.04 3.18 5.36 0.60 -4.78 117.98 122.48 1xfd s PHE 641 Ca 0.53 -0.33 0.04 0.00 -0.96 0.00 0.00 56.93 56.21 1xfd s PHE 641 Cb -0.11 -3.13 -0.02 0.00 -0.34 0.00 0.00 43.02 39.42 1xfd s PHE 641 CO 0.48 -0.81 -0.12 -1.21 -1.46 0.00 0.00 175.22 172.10 1xfd s GLU 642 N 2.40 0.81 -0.16 10.12 2.02 -1.26 -4.90 118.70 127.72 1xfd s GLU 642 Ca 0.15 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.36 1xfd s GLU 642 Cb -0.17 -0.78 0.06 0.00 0.10 0.00 0.00 34.13 33.35 1xfd s GLU 642 CO 0.15 0.19 0.12 0.14 0.02 0.00 0.00 175.26 175.87 1xfd s VAL 643 N -0.94 -0.15 0.00 2.63 -7.23 -1.26 -4.97 120.40 108.49 1xfd s VAL 643 Ca -0.01 -0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.11 1xfd s VAL 643 Cb -0.08 -0.53 0.00 0.00 0.56 0.00 0.00 36.38 36.33 1xfd s VAL 643 CO 0.01 -0.19 0.00 -1.54 -0.31 0.00 0.00 175.10 173.07 1xfd n SER 644 N 5.29 0.22 0.25 4.85 3.41 -1.26 -4.98 113.62 121.40 1xfd n SER 644 Ca -0.06 -0.64 0.17 0.00 -0.26 0.00 0.00 58.87 58.08 1xfd n SER 644 Cb 0.49 0.00 0.89 0.00 -0.26 0.00 0.00 64.21 65.33 1xfd n SER 644 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1xfd h TRP 645 N 0.64 0.00 -0.34 7.33 0.09 -1.99 0.16 115.95 121.84 1xfd h TRP 645 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 58.89 58.84 1xfd h TRP 645 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.23 1xfd h TRP 645 CO 0.00 0.00 -0.33 0.93 0.09 0.00 0.00 178.44 179.13 1xfd h GLU 646 N 0.00 0.82 -0.50 0.12 5.08 -1.99 -1.23 114.58 116.88 1xfd h GLU 646 Ca 0.00 -0.43 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 1xfd h GLU 646 Cb 0.00 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.23 1xfd h GLU 646 CO 0.00 1.06 0.28 1.15 -1.00 0.00 0.00 179.01 180.51 1xfd h THR 647 N 0.60 1.02 -0.71 1.13 2.02 -1.34 -1.03 112.91 114.60 1xfd h THR 647 Ca 0.05 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1xfd h THR 647 Cb 0.91 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1xfd h THR 647 CO 0.08 0.10 0.46 0.58 0.37 0.00 0.00 175.52 177.12 1xfd h VAL 648 N 0.56 1.19 -0.79 3.16 2.07 -1.42 0.20 116.25 121.23 1xfd h VAL 648 Ca 0.21 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1xfd h VAL 648 Cb 0.05 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1xfd h VAL 648 CO -0.11 0.18 0.40 0.24 0.02 0.00 0.00 177.57 178.30 1xfd h MET 649 N 0.96 1.11 0.02 1.57 2.07 -0.42 0.15 114.93 120.39 1xfd h MET 649 Ca 0.26 -0.15 -0.00 0.00 -2.07 0.00 0.00 59.70 57.74 1xfd h MET 649 Cb -0.10 -0.21 0.00 0.00 -1.87 0.00 0.00 31.60 29.42 1xfd h MET 649 CO -0.05 0.84 -0.01 0.28 1.07 0.00 0.00 176.91 179.04 1xfd h VAL 650 N 1.11 1.47 0.00 -2.22 2.07 -0.81 -2.54 116.25 115.34 1xfd h VAL 650 Ca 0.27 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1xfd h VAL 650 Cb 0.08 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1xfd h VAL 650 CO -0.04 0.43 0.00 -0.24 0.02 0.00 0.00 177.57 177.74 1xfd n SER 651 N -4.75 0.00 0.25 0.57 2.88 0.67 -1.68 113.62 111.56 1xfd n SER 651 Ca -0.09 0.62 0.11 0.00 -1.33 0.00 0.00 58.87 58.18 1xfd n SER 651 Cb 0.35 -0.31 0.65 0.00 -0.75 0.00 0.00 64.21 64.15 1xfd n SER 651 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1xfd h SER 652 N 0.00 0.00 0.00 -3.46 0.02 -0.79 -3.20 113.55 106.12 1xfd h SER 652 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xfd h SER 652 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xfd h SER 652 CO 0.00 0.15 -0.06 1.41 -1.14 0.00 0.00 176.83 177.20 1xfd n HIS 653 N -3.78 0.00 -2.95 3.45 8.25 -1.10 -5.03 115.22 114.05 1xfd n HIS 653 Ca -0.02 -0.66 -0.22 0.00 -0.26 0.00 0.00 57.72 56.56 1xfd n HIS 653 Cb 0.26 -0.10 0.02 0.00 1.12 0.00 0.00 29.99 31.30 1xfd n HIS 653 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xfd n GLY 654 N -0.88 0.11 3.15 -1.41 0.00 -0.68 -4.88 105.19 100.61 1xfd n GLY 654 Ca 0.08 0.66 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 1xfd n GLY 654 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfd s ALA 655 N -1.07 -0.29 -0.21 4.61 0.00 -1.08 -4.59 121.76 119.13 1xfd s ALA 655 Ca 0.22 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.76 1xfd s ALA 655 Cb -0.02 0.25 -0.05 0.00 0.00 0.00 0.00 23.12 23.30 1xfd s ALA 655 CO 0.49 -0.33 0.12 0.14 0.00 0.00 0.00 175.76 176.19 1xfd s VAL 656 N -2.40 5.24 -0.04 0.00 -7.23 -1.05 -4.08 120.40 110.84 1xfd s VAL 656 Ca -0.06 0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.21 1xfd s VAL 656 Cb -0.02 -3.40 -0.04 0.00 0.56 0.00 0.00 36.38 33.48 1xfd s VAL 656 CO -0.03 0.41 0.11 0.68 -0.31 0.00 0.00 175.10 175.96 1xfd s VAL 657 N 0.60 5.03 -0.07 1.32 -7.23 -1.00 -1.29 120.40 117.76 1xfd s VAL 657 Ca 0.07 -0.18 0.03 0.00 -1.81 0.00 0.00 61.98 60.08 1xfd s VAL 657 Cb -0.12 -3.26 0.01 0.00 0.56 0.00 0.00 36.38 33.57 1xfd s VAL 657 CO 0.00 0.44 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.40 1xfd s VAL 658 N -1.15 1.30 0.07 1.32 1.01 -0.59 -0.89 120.40 121.48 1xfd s VAL 658 Ca 0.21 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1xfd s VAL 658 Cb -0.12 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 1xfd s VAL 658 CO 0.11 0.39 -0.24 -0.54 0.00 0.00 0.00 175.10 174.82 1xfd s LYS 659 N 0.57 1.51 -0.10 2.72 1.02 -0.67 -1.83 119.74 122.95 1xfd s LYS 659 Ca -0.15 -1.14 -0.16 0.00 0.02 0.00 0.00 55.97 54.54 1xfd s LYS 659 Cb -0.16 -1.77 0.04 0.00 -0.52 0.00 0.00 37.83 35.42 1xfd s LYS 659 CO 0.04 0.44 0.41 0.00 -0.92 0.00 0.00 175.35 175.32 1xfd s ASP 661 N -0.41 5.20 0.03 0.00 -0.00 -0.69 -4.87 116.67 115.92 1xfd s ASP 661 Ca -0.05 -2.45 0.00 0.00 -0.00 0.00 0.00 52.55 50.05 1xfd s ASP 661 Cb -0.03 -1.83 0.00 0.00 -0.00 0.00 0.00 42.92 41.06 1xfd s ASP 661 CO 0.03 -0.45 0.00 0.61 -0.00 0.00 0.00 175.17 175.36 1xfd n GLY 662 N 4.02 -1.04 3.77 0.21 0.00 -1.26 -4.24 105.19 106.65 1xfd n GLY 662 Ca 0.03 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1xfd n GLY 662 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xfd s ARG 663 N -0.08 4.40 0.00 1.61 3.03 -1.26 -1.96 118.95 124.69 1xfd s ARG 663 Ca 0.00 2.03 0.00 0.00 2.03 0.00 0.00 55.73 59.79 1xfd s ARG 663 Cb 0.00 -3.05 0.00 0.00 -1.03 0.00 0.00 34.95 30.87 1xfd s ARG 663 CO 0.00 -0.08 0.00 0.41 -1.13 0.00 0.00 175.30 174.50 1xfd n GLY 664 N 0.90 2.58 3.63 3.88 0.00 -0.80 -4.64 105.19 110.75 1xfd n GLY 664 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1xfd n GLY 664 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xfd s SER 665 N -1.56 2.46 0.18 1.61 0.01 -0.83 0.82 113.70 116.39 1xfd s SER 665 Ca 0.00 2.02 0.03 0.00 1.31 0.00 0.00 55.95 59.31 1xfd s SER 665 Cb 0.00 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.75 1xfd s SER 665 CO 0.00 -3.36 0.22 0.61 0.41 0.00 0.00 173.24 171.12 1xfd n GLY 666 N 0.32 2.24 2.49 3.44 0.00 0.24 -3.90 105.19 110.03 1xfd n GLY 666 Ca 0.10 -2.18 -0.20 0.00 0.00 0.00 0.00 46.02 43.74 1xfd n GLY 666 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xfd n PHE 667 N -1.26 -0.46 -2.74 1.61 3.72 -1.26 -4.83 117.46 112.23 1xfd n PHE 667 Ca 0.04 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.41 1xfd n PHE 667 Cb 0.20 -3.64 0.08 0.00 -0.94 0.00 0.00 39.48 35.18 1xfd n PHE 667 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1xfd n GLN 668 N -2.63 1.46 -1.04 -1.08 6.02 -1.26 -4.63 117.38 114.22 1xfd n GLN 668 Ca -0.22 -2.57 0.00 0.00 -0.01 0.00 0.00 57.00 54.19 1xfd n GLN 668 Cb 0.68 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 31.19 1xfd n GLN 668 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xfd n GLY 669 N -0.80 -3.75 0.32 1.08 0.00 -1.26 -4.18 105.19 96.60 1xfd n GLY 669 Ca -0.01 -0.97 -0.02 0.00 0.00 0.00 0.00 46.02 45.01 1xfd n GLY 669 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xfd n THR 670 N -1.91 -0.45 -0.17 2.61 -1.04 -0.44 -1.75 114.28 111.12 1xfd n THR 670 Ca 0.00 1.91 -0.06 0.00 -2.04 0.00 0.00 64.05 63.86 1xfd n THR 670 Cb 0.24 -2.49 0.00 0.00 -1.82 0.00 0.00 70.33 66.27 1xfd n THR 670 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 1xfd h LYS 671 N 0.00 -0.18 0.11 -2.82 3.64 -1.84 0.21 116.57 115.69 1xfd h LYS 671 Ca 0.25 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1xfd h LYS 671 Cb 0.45 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 1xfd h LYS 671 CO -0.79 -0.12 -0.06 1.25 -2.27 0.00 0.00 179.45 177.46 1xfd h LEU 672 N -0.19 -0.14 -0.18 5.20 5.85 -1.51 -3.00 115.31 121.34 1xfd h LEU 672 Ca 0.21 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1xfd h LEU 672 Cb 0.54 0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 1xfd h LEU 672 CO -0.62 -0.10 -0.29 0.25 -0.34 0.00 0.00 178.44 177.34 1xfd h LEU 673 N -0.16 -0.91 0.00 2.25 5.85 -1.05 -2.02 115.31 119.27 1xfd h LEU 673 Ca -0.01 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xfd h LEU 673 Cb 0.12 0.40 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1xfd h LEU 673 CO 0.02 -0.33 0.00 1.41 -0.34 0.00 0.00 178.44 179.21 1xfd n HIS 674 N -5.40 0.00 0.23 1.25 8.25 -0.02 -3.65 115.22 115.89 1xfd n HIS 674 Ca -0.02 0.00 0.18 0.00 -0.26 0.00 0.00 57.72 57.62 1xfd n HIS 674 Cb 0.31 -0.25 0.86 0.00 1.12 0.00 0.00 29.99 32.04 1xfd n HIS 674 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 1xfd h GLU 675 N 0.00 0.00 -0.01 -0.41 4.57 -1.30 -1.30 114.58 116.13 1xfd h GLU 675 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xfd h GLU 675 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1xfd h GLU 675 CO 0.00 0.00 -0.18 1.33 -1.18 0.00 0.00 179.01 178.98 1xfd n VAL 676 N -3.53 0.00 -1.61 0.32 0.24 -1.24 -4.85 118.33 107.66 1xfd n VAL 676 Ca 0.01 -0.22 -0.55 0.00 -2.04 0.00 0.00 64.34 61.53 1xfd n VAL 676 Cb 0.34 0.67 -0.07 0.00 -1.47 0.00 0.00 33.84 33.32 1xfd n VAL 676 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1xfd n ARG 677 N -0.09 0.86 -0.81 7.34 3.00 -0.49 -0.01 116.66 126.44 1xfd n ARG 677 Ca 0.14 0.31 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 1xfd n ARG 677 Cb 0.39 -1.93 0.00 0.00 0.00 0.00 0.00 32.46 30.93 1xfd n ARG 677 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1xfd n ARG 678 N 2.96 -1.93 -0.23 -0.14 1.74 0.20 -4.68 116.66 114.58 1xfd n ARG 678 Ca 0.21 0.40 0.05 0.00 -0.77 0.00 0.00 57.85 57.74 1xfd n ARG 678 Cb 0.14 -4.55 0.07 0.00 -1.02 0.00 0.00 32.46 27.11 1xfd n ARG 678 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xfd n ARG 679 N 0.75 0.84 -1.47 5.56 1.74 0.98 -4.96 116.66 120.10 1xfd n ARG 679 Ca 0.00 -1.85 -0.57 0.00 -0.77 0.00 0.00 57.85 54.65 1xfd n ARG 679 Cb 0.40 -1.06 -0.08 0.00 -1.02 0.00 0.00 32.46 30.70 1xfd n ARG 679 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1xfd n LEU 680 N -0.80 0.49 0.00 0.55 7.94 -0.86 -0.36 117.00 123.95 1xfd n LEU 680 Ca 0.09 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 56.05 1xfd n LEU 680 Cb 0.64 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.77 1xfd n LEU 680 CO 0.01 -1.30 0.00 0.61 -1.11 0.00 0.00 177.39 175.59 1xfd n GLY 681 N 2.38 2.12 0.04 -3.96 0.00 -1.26 -4.79 105.19 99.72 1xfd n GLY 681 Ca 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 1xfd n GLY 681 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xfd h LEU 682 N 0.00 0.00 0.42 0.99 5.85 -1.09 -3.32 115.31 118.15 1xfd h LEU 682 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1xfd h LEU 682 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1xfd h LEU 682 CO 0.00 0.42 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.15 1xfd h LEU 683 N -0.60 -0.77 -1.46 2.25 3.38 -1.91 -1.94 115.31 114.26 1xfd h LEU 683 Ca 0.00 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1xfd h LEU 683 Cb 0.23 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1xfd h LEU 683 CO 0.00 -0.45 0.57 1.05 0.09 0.00 0.00 178.44 179.70 1xfd h GLU 684 N -0.70 0.00 -0.16 1.13 9.09 -1.82 0.86 114.58 122.98 1xfd h GLU 684 Ca -0.04 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.24 1xfd h GLU 684 Cb 0.60 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.70 1xfd h GLU 684 CO 0.01 0.00 -0.42 1.05 0.05 0.00 0.00 179.01 179.70 1xfd h GLU 685 N 0.00 0.56 0.05 1.06 -0.00 -1.45 -1.74 114.58 113.06 1xfd h GLU 685 Ca 0.07 -0.39 -0.00 0.00 -0.00 0.00 0.00 59.36 59.03 1xfd h GLU 685 Cb 1.21 0.06 0.00 0.00 -0.00 0.00 0.00 28.75 30.02 1xfd h GLU 685 CO -0.00 1.01 -0.02 0.87 -0.00 0.00 0.00 179.01 180.87 1xfd h LYS 686 N 0.20 -0.07 -0.90 1.06 1.57 0.72 0.84 116.57 120.00 1xfd h LYS 686 Ca -0.01 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.89 1xfd h LYS 686 Cb 1.04 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 33.28 1xfd h LYS 686 CO 0.09 0.37 0.53 -0.44 -0.57 0.00 0.00 179.45 179.44 1xfd h ASP 687 N -0.53 0.77 -0.13 0.86 5.19 -1.17 0.34 116.42 121.74 1xfd h ASP 687 Ca -0.01 0.05 -0.10 0.00 -0.62 0.00 0.00 57.03 56.35 1xfd h ASP 687 Cb 0.47 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1xfd h ASP 687 CO 0.01 0.42 -0.31 1.56 -3.12 0.00 0.00 179.24 177.79 1xfd h GLN 688 N 0.86 0.45 -0.30 3.56 1.08 -1.27 -2.51 115.11 116.99 1xfd h GLN 688 Ca 0.44 -0.31 -0.02 0.00 -1.45 0.00 0.00 58.65 57.32 1xfd h GLN 688 Cb 0.44 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1xfd h GLN 688 CO -0.26 0.92 0.08 0.52 -0.95 0.00 0.00 178.83 179.14 1xfd h MET 689 N 0.05 0.43 -0.31 1.46 2.86 -0.09 -1.33 114.93 118.00 1xfd h MET 689 Ca -0.00 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.46 1xfd h MET 689 Cb 0.92 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1xfd h MET 689 CO 0.07 0.39 -0.32 1.49 1.06 0.00 0.00 176.91 179.60 1xfd h GLU 690 N 0.43 0.66 0.00 1.72 4.57 -0.29 0.06 114.58 121.73 1xfd h GLU 690 Ca 0.10 -0.30 -0.10 0.00 -1.18 0.00 0.00 59.36 57.88 1xfd h GLU 690 Cb 0.15 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1xfd h GLU 690 CO -0.01 0.89 -0.48 0.00 -1.18 0.00 0.00 179.01 178.23 1xfd h ALA 691 N 1.09 1.11 -0.06 2.92 0.00 -0.92 -2.13 119.26 121.28 1xfd h ALA 691 Ca 0.06 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 1xfd h ALA 691 Cb 0.82 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1xfd h ALA 691 CO 0.07 0.60 -0.27 0.28 0.00 0.00 0.00 179.25 179.93 1xfd h VAL 692 N 0.00 1.44 0.38 0.00 2.07 -0.86 -2.99 116.25 116.29 1xfd h VAL 692 Ca -0.00 -1.70 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 1xfd h VAL 692 Cb 0.90 2.37 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 1xfd h VAL 692 CO 0.06 0.48 -0.33 0.03 0.02 0.00 0.00 177.57 177.84 1xfd h ARG 693 N -0.23 -0.69 -0.03 1.57 -0.00 -0.86 0.21 114.38 114.35 1xfd h ARG 693 Ca -0.02 0.05 0.01 0.00 -0.50 0.00 0.00 59.98 59.52 1xfd h ARG 693 Cb 0.92 0.16 -0.00 0.00 0.00 0.00 0.00 29.97 31.05 1xfd h ARG 693 CO 0.06 -0.46 0.15 1.79 0.00 0.00 0.00 179.97 181.51 1xfd h THR 694 N -0.71 0.09 0.00 2.04 1.35 -1.49 0.36 112.91 114.55 1xfd h THR 694 Ca -0.03 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.60 1xfd h THR 694 Cb 0.63 0.86 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 1xfd h THR 694 CO -0.03 0.00 -1.47 -0.03 -0.25 0.00 0.00 175.52 173.74 1xfd h MET 695 N 0.00 0.00 0.00 4.72 -1.53 -1.13 -3.32 114.93 113.67 1xfd h MET 695 Ca 0.01 0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.16 1xfd h MET 695 Cb 0.31 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.34 1xfd h MET 695 CO -0.00 0.50 -0.54 -0.07 0.14 0.00 0.00 176.91 176.93 1xfd h LEU 696 N 0.00 0.00 -1.10 3.39 4.07 0.28 -3.14 115.31 118.82 1xfd h LEU 696 Ca -0.20 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.78 1xfd h LEU 696 Cb 1.83 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.52 1xfd h LEU 696 CO 0.08 0.54 0.61 0.11 -1.08 0.00 0.00 178.44 178.70 1xfd h LYS 697 N 0.00 1.19 -6.79 1.13 1.57 -1.34 -3.44 116.57 108.89 1xfd h LYS 697 Ca -0.01 -0.07 -0.51 0.00 -1.87 0.00 0.00 60.65 58.20 1xfd h LYS 697 Cb 0.98 -0.27 0.22 0.00 0.08 0.00 0.00 32.23 33.24 1xfd h LYS 697 CO 0.07 0.79 -0.66 0.39 -0.57 0.00 0.00 179.45 179.47 1xfd n GLU 698 N -4.41 -0.76 -0.00 3.15 -0.58 -1.19 -4.93 120.64 111.93 1xfd n GLU 698 Ca 0.11 -0.19 0.10 0.00 -0.42 0.00 0.00 57.16 56.77 1xfd n GLU 698 Cb 0.04 -1.85 -0.12 0.00 -0.57 0.00 0.00 31.44 28.94 1xfd n GLU 698 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1xfd n GLN 699 N -2.07 0.03 -0.53 3.49 -0.06 -1.26 -4.23 117.38 112.76 1xfd n GLN 699 Ca 0.05 -0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.00 1xfd n GLN 699 Cb 0.56 -1.50 0.14 0.00 -4.06 0.00 0.00 30.24 25.39 1xfd n GLN 699 CO 0.00 0.00 0.00 2.48 -0.20 0.00 0.00 177.06 179.34 1xfd n TYR 700 N -1.52 1.28 -3.74 3.69 0.18 -1.26 -4.72 117.16 111.08 1xfd n TYR 700 Ca 0.04 -0.77 -0.12 0.00 1.88 0.00 0.00 57.90 58.93 1xfd n TYR 700 Cb 0.33 -0.45 -0.12 0.00 -0.38 0.00 0.00 39.34 38.73 1xfd n TYR 700 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1xfd s ILE 701 N -1.75 -0.02 -0.28 -3.48 -1.16 -1.26 -1.85 121.20 111.40 1xfd s ILE 701 Ca 0.28 0.07 -0.06 0.00 -0.51 0.00 0.00 60.65 60.42 1xfd s ILE 701 Cb 0.22 -0.46 0.00 0.00 0.61 0.00 0.00 42.46 42.83 1xfd s ILE 701 CO 0.07 0.03 0.05 1.51 -2.81 0.00 0.00 174.94 173.79 1xfd s ASP 702 N 0.78 4.97 0.41 4.50 -4.77 -0.86 -4.81 116.67 116.88 1xfd s ASP 702 Ca -0.05 -0.64 0.37 0.00 -3.30 0.00 0.00 52.55 48.93 1xfd s ASP 702 Cb -0.06 -1.85 1.30 0.00 -1.09 0.00 0.00 42.92 41.22 1xfd s ASP 702 CO -0.05 -0.15 1.20 -1.14 0.70 0.00 0.00 175.17 175.72 1xfd n ARG 703 N 4.85 -0.00 0.09 2.11 0.63 -1.26 -1.23 116.66 121.84 1xfd n ARG 703 Ca -0.15 0.85 -0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1xfd n ARG 703 Cb 0.48 -1.92 0.30 0.00 0.45 0.00 0.00 32.46 31.78 1xfd n ARG 703 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1xfd h THR 704 N 0.00 1.24 -2.75 5.15 1.35 -1.94 -3.36 112.91 112.60 1xfd h THR 704 Ca 0.72 -1.10 -0.68 0.00 -0.55 0.00 0.00 66.41 64.79 1xfd h THR 704 Cb 2.79 1.38 -0.37 0.00 -1.73 0.00 0.00 68.15 70.22 1xfd h THR 704 CO -0.06 0.34 -0.12 0.54 -0.25 0.00 0.00 175.52 175.97 1xfd n ARG 705 N -4.17 2.98 -4.49 4.72 1.74 -0.37 -4.71 116.66 112.36 1xfd n ARG 705 Ca -0.01 -4.58 -0.34 0.00 -0.77 0.00 0.00 57.85 52.16 1xfd n ARG 705 Cb 0.36 -2.36 -0.14 0.00 -1.02 0.00 0.00 32.46 29.29 1xfd n ARG 705 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xfd s VAL 706 N -2.18 3.29 0.16 1.55 1.01 -1.26 0.01 120.40 122.99 1xfd s VAL 706 Ca 0.33 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.79 1xfd s VAL 706 Cb 0.05 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.96 1xfd s VAL 706 CO -0.03 0.50 -0.07 0.00 0.00 0.00 0.00 175.10 175.49 1xfd s ALA 707 N 0.62 1.51 0.02 5.51 0.00 0.13 -0.12 121.76 129.42 1xfd s ALA 707 Ca -0.05 -1.55 0.01 0.00 0.00 0.00 0.00 51.96 50.36 1xfd s ALA 707 Cb -0.15 0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.13 1xfd s ALA 707 CO 0.03 -0.15 -0.04 0.54 0.00 0.00 0.00 175.76 176.14 1xfd s VAL 708 N -3.37 0.26 -0.00 0.00 0.11 -0.97 0.08 120.40 116.50 1xfd s VAL 708 Ca 0.19 -0.57 -0.05 0.00 -2.93 0.00 0.00 61.98 58.63 1xfd s VAL 708 Cb 0.03 -0.31 -0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1xfd s VAL 708 CO 0.02 -0.21 0.09 0.12 -3.33 0.00 0.00 175.10 171.80 1xfd s PHE 709 N -0.77 0.07 -0.14 1.54 2.19 -0.14 -1.14 117.98 119.59 1xfd s PHE 709 Ca -0.06 -0.15 -0.30 0.00 0.33 0.00 0.00 56.93 56.75 1xfd s PHE 709 Cb -0.06 -0.07 0.10 0.00 -1.31 0.00 0.00 43.02 41.69 1xfd s PHE 709 CO -0.00 -0.22 0.87 0.20 1.83 0.00 0.00 175.22 177.90 1xfd s GLY 710 N -1.11 -0.39 0.08 13.12 0.00 -0.94 -0.79 107.32 117.29 1xfd s GLY 710 Ca -0.12 1.83 0.07 0.00 0.00 0.00 0.00 44.72 46.50 1xfd s GLY 710 CO 0.01 1.12 -0.19 -1.59 0.00 0.00 0.00 173.10 172.45 1xfd s LYS 711 N -0.92 1.11 7.91 2.90 0.00 -1.25 -1.47 119.74 128.02 1xfd s LYS 711 Ca -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 55.97 54.86 1xfd s LYS 711 Cb -0.01 -1.30 0.00 0.00 0.00 0.00 0.00 37.83 36.52 1xfd s LYS 711 CO 0.04 0.31 0.00 -0.25 0.00 0.00 0.00 175.35 175.45 1xfd n ASP 712 N 1.30 0.00 0.27 0.03 10.43 -0.03 0.27 116.55 128.82 1xfd n ASP 712 Ca -0.19 0.00 0.14 0.00 2.57 0.00 0.00 54.79 57.30 1xfd n ASP 712 Cb 0.54 0.00 0.75 0.00 1.84 0.00 0.00 41.12 44.25 1xfd n ASP 712 CO 0.00 0.00 0.00 0.22 -1.07 0.00 0.00 177.20 176.35 1xfd h TYR 713 N 0.00 0.00 0.00 1.24 5.03 -1.87 0.89 116.97 122.27 1xfd h TYR 713 Ca 0.00 0.00 -0.10 0.00 2.58 0.00 0.00 58.73 61.21 1xfd h TYR 713 Cb 0.00 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.27 1xfd h TYR 713 CO 0.00 0.10 -0.50 0.78 -1.32 0.00 0.00 178.16 177.23 1xfd h GLY 714 N 0.90 0.00 1.75 1.82 0.00 -0.09 -2.23 103.07 105.22 1xfd h GLY 714 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.19 1xfd h GLY 714 CO 0.01 0.00 -0.56 -1.33 0.00 0.00 0.00 176.54 174.67 1xfd h GLY 715 N 1.66 0.29 0.84 4.60 0.00 -0.61 0.20 103.07 110.04 1xfd h GLY 715 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1xfd h GLY 715 CO 0.06 0.30 -0.11 -1.82 0.00 0.00 0.00 176.54 174.97 1xfd h TYR 716 N 0.20 -0.29 -0.57 5.60 5.03 -1.01 -0.62 116.97 125.30 1xfd h TYR 716 Ca 0.00 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 1xfd h TYR 716 Cb 1.04 0.10 -0.03 0.00 1.55 0.00 0.00 36.73 39.39 1xfd h TYR 716 CO 0.02 -0.07 0.28 -0.07 -1.32 0.00 0.00 178.16 177.00 1xfd h LEU 717 N -0.48 0.74 -0.33 2.82 3.38 -1.34 -0.66 115.31 119.44 1xfd h LEU 717 Ca -0.03 -0.13 0.07 0.00 0.09 0.00 0.00 57.88 57.88 1xfd h LEU 717 Cb 0.36 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.85 1xfd h LEU 717 CO 0.05 0.66 -0.16 -1.28 0.09 0.00 0.00 178.44 177.81 1xfd h SER 718 N 0.77 -0.53 1.23 -0.43 0.87 -0.41 0.20 113.55 115.25 1xfd h SER 718 Ca 0.20 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1xfd h SER 718 Cb 0.11 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 1xfd h SER 718 CO -0.03 -0.19 0.00 0.35 -0.53 0.00 0.00 176.83 176.43 1xfd n THR 719 N -5.33 0.60 0.08 2.23 -2.24 -0.26 -2.85 114.28 106.51 1xfd n THR 719 Ca 0.01 -0.12 -0.09 0.00 -2.27 0.00 0.00 64.05 61.58 1xfd n THR 719 Cb 0.25 -0.72 -0.09 0.00 -2.10 0.00 0.00 70.33 67.66 1xfd n THR 719 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1xfd h TYR 720 N 0.00 0.13 -0.90 4.78 5.03 0.72 -3.35 116.97 123.38 1xfd h TYR 720 Ca 0.00 -0.09 -0.46 0.00 2.58 0.00 0.00 58.73 60.76 1xfd h TYR 720 Cb 0.61 -0.01 -0.18 0.00 1.55 0.00 0.00 36.73 38.71 1xfd h TYR 720 CO 0.00 1.03 0.47 -0.89 -1.32 0.00 0.00 178.16 177.44 1xfd n ILE 721 N -3.45 3.17 -3.62 1.81 5.41 0.47 -4.70 119.36 118.45 1xfd n ILE 721 Ca -0.02 -2.58 -0.28 0.00 1.00 0.00 0.00 62.75 60.87 1xfd n ILE 721 Cb 0.92 -1.46 -0.10 0.00 -0.71 0.00 0.00 39.64 38.30 1xfd n ILE 721 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 1xfd n LEU 722 N 0.49 3.52 0.00 1.39 4.32 -1.26 -4.93 117.00 120.54 1xfd n LEU 722 Ca 0.44 -5.34 0.00 0.00 -0.02 0.00 0.00 56.01 51.09 1xfd n LEU 722 Cb 0.55 -0.73 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1xfd n LEU 722 CO 0.39 1.91 0.00 -0.81 -1.22 0.00 0.00 177.39 177.66 1xfd n PRO 723 N 1.35 2.79 -3.67 3.23 -0.04 -1.26 -4.15 135.00 133.25 1xfd n PRO 723 Ca 0.25 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.48 1xfd n PRO 723 Cb 0.38 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.67 1xfd n PRO 723 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xfd s ALA 724 N -2.00 0.42 0.38 0.55 0.00 -1.26 -2.49 121.76 117.36 1xfd s ALA 724 Ca 0.00 -0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.61 1xfd s ALA 724 Cb 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 22.21 1xfd s ALA 724 CO 0.00 -0.77 1.22 0.21 0.00 0.00 0.00 175.76 176.42 1xfd s LYS 725 N 2.11 4.15 5.66 0.00 2.47 -1.25 -4.57 119.74 128.30 1xfd s LYS 725 Ca 0.04 1.98 0.00 0.00 -1.56 0.00 0.00 55.97 56.43 1xfd s LYS 725 Cb -0.14 -2.82 0.00 0.00 -1.46 0.00 0.00 37.83 33.41 1xfd s LYS 725 CO -0.06 -0.28 0.00 0.41 0.16 0.00 0.00 175.35 175.58 1xfd n GLY 726 N 0.73 1.11 1.87 5.54 0.00 -1.26 -4.01 105.19 109.17 1xfd n GLY 726 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1xfd n GLY 726 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xfd n GLU 727 N 12.53 0.00 0.12 1.61 2.13 -1.26 -4.86 120.64 130.90 1xfd n GLU 727 Ca 0.00 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.80 1xfd n GLU 727 Cb 0.00 -0.01 0.20 0.00 0.27 0.00 0.00 31.44 31.91 1xfd n GLU 727 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1xfd h ASN 728 N 0.00 0.15 -2.16 4.31 2.35 -1.96 -3.01 115.58 115.26 1xfd h ASN 728 Ca 0.00 -0.07 -0.79 0.00 -0.55 0.00 0.00 56.30 54.89 1xfd h ASN 728 Cb 0.00 -0.04 -0.27 0.00 0.05 0.00 0.00 38.32 38.06 1xfd h ASN 728 CO 0.00 0.63 1.02 1.67 -1.65 0.00 0.00 177.43 179.10 1xfd n GLN 729 N -3.94 4.49 -1.43 0.81 -0.06 -1.26 -5.00 117.38 110.99 1xfd n GLN 729 Ca -0.02 -4.27 -0.25 0.00 -2.00 0.00 0.00 57.00 50.46 1xfd n GLN 729 Cb 0.54 -2.40 0.18 0.00 -4.06 0.00 0.00 30.24 24.50 1xfd n GLN 729 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xfd n GLY 730 N -0.23 -1.73 3.16 1.69 0.00 -1.14 -3.93 105.19 103.02 1xfd n GLY 730 Ca 0.49 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 1xfd n GLY 730 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xfd n GLN 731 N -3.57 -1.83 0.08 1.61 3.00 -1.26 -4.85 117.38 110.56 1xfd n GLN 731 Ca 0.14 1.61 -0.16 0.00 -0.01 0.00 0.00 57.00 58.58 1xfd n GLN 731 Cb 0.48 -4.65 -0.08 0.00 0.00 0.00 0.00 30.24 26.00 1xfd n GLN 731 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.06 178.21 1xfd h THR 732 N 1.16 1.39 -3.15 5.09 2.02 -1.77 -3.46 112.91 114.19 1xfd h THR 732 Ca -0.18 -2.56 -0.63 0.00 0.77 0.00 0.00 66.41 63.81 1xfd h THR 732 Cb 1.12 2.56 -0.13 0.00 -1.74 0.00 0.00 68.15 69.97 1xfd h THR 732 CO 0.26 0.76 -0.69 -0.36 0.37 0.00 0.00 175.52 175.87 1xfd s PHE 733 N -3.11 2.81 -0.21 3.16 0.40 -1.26 -4.59 117.98 115.17 1xfd s PHE 733 Ca -0.06 -0.14 -0.07 0.00 -0.60 0.00 0.00 56.93 56.06 1xfd s PHE 733 Cb 0.08 -1.40 -0.19 0.00 0.51 0.00 0.00 43.02 42.01 1xfd s PHE 733 CO 0.88 0.49 -0.01 2.41 0.70 0.00 0.00 175.22 179.69 1xfd n THR 734 N 0.23 1.59 -3.69 0.64 -1.04 0.82 -4.67 114.28 108.16 1xfd n THR 734 Ca -0.11 -0.48 -0.15 0.00 -2.04 0.00 0.00 64.05 61.27 1xfd n THR 734 Cb 0.54 -1.69 -0.08 0.00 -1.82 0.00 0.00 70.33 67.28 1xfd n THR 734 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xfd s GLY 736 N -1.35 0.91 -0.08 0.00 0.00 -0.30 -2.29 107.32 104.22 1xfd s GLY 736 Ca -0.12 -1.39 -0.13 0.00 0.00 0.00 0.00 44.72 43.08 1xfd s GLY 736 CO 0.05 -1.30 0.32 -0.45 0.00 0.00 0.00 173.10 171.73 1xfd s SER 737 N -3.04 -0.28 -0.06 1.64 0.15 -0.29 -1.92 113.70 109.91 1xfd s SER 737 Ca 0.23 0.43 0.02 0.00 0.70 0.00 0.00 55.95 57.33 1xfd s SER 737 Cb 0.07 0.53 0.02 0.00 -1.71 0.00 0.00 66.02 64.93 1xfd s SER 737 CO 0.01 -0.25 -0.09 0.00 1.20 0.00 0.00 173.24 174.11 1xfd s ALA 738 N -0.45 1.01 -0.29 5.45 0.00 -0.85 -2.22 121.76 124.42 1xfd s ALA 738 Ca -0.06 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 1xfd s ALA 738 Cb -0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1xfd s ALA 738 CO 0.02 0.05 0.12 -1.17 0.00 0.00 0.00 175.76 174.79 1xfd s LEU 739 N 0.78 3.87 -1.18 0.00 2.96 -0.54 -1.13 118.68 123.44 1xfd s LEU 739 Ca -0.13 -0.41 -0.22 0.00 -0.22 0.00 0.00 54.13 53.16 1xfd s LEU 739 Cb -0.15 -1.98 0.00 0.00 0.50 0.00 0.00 46.19 44.56 1xfd s LEU 739 CO 0.02 -0.13 0.74 -1.20 -1.32 0.00 0.00 176.35 174.45 1xfd n SER 740 N 4.96 -4.61 -4.74 3.68 7.64 0.85 -0.85 113.62 120.55 1xfd n SER 740 Ca -0.15 -1.07 -0.41 0.00 1.01 0.00 0.00 58.87 58.25 1xfd n SER 740 Cb 0.50 -3.02 -0.04 0.00 -1.01 0.00 0.00 64.21 60.63 1xfd n SER 740 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1xfd s PRO 741 N -6.31 4.62 0.01 1.43 0.04 -1.26 -3.12 135.00 130.41 1xfd s PRO 741 Ca 0.43 1.65 -0.21 0.00 0.04 0.00 0.00 61.00 62.92 1xfd s PRO 741 Cb -0.17 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 1xfd s PRO 741 CO 0.89 0.12 0.62 -1.50 0.04 0.00 0.00 177.00 177.16 1xfd s ILE 742 N -0.22 4.88 0.00 0.56 1.10 -1.23 -4.38 121.20 121.91 1xfd s ILE 742 Ca 0.49 1.29 0.00 0.00 -0.51 0.00 0.00 60.65 61.92 1xfd s ILE 742 Cb -0.28 -3.95 0.00 0.00 0.15 0.00 0.00 42.46 38.38 1xfd s ILE 742 CO 0.34 0.42 0.48 0.35 -2.11 0.00 0.00 174.94 174.41 1xfd n THR 743 N 2.68 0.23 -3.15 4.00 -2.24 -1.26 -4.09 114.28 110.45 1xfd n THR 743 Ca -0.06 -0.37 0.05 0.00 -2.27 0.00 0.00 64.05 61.39 1xfd n THR 743 Cb 0.51 1.16 -0.00 0.00 -2.10 0.00 0.00 70.33 69.90 1xfd n THR 743 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xfd s ASP 744 N -0.23 -1.17 0.00 3.42 -1.08 -1.26 -3.14 116.67 113.21 1xfd s ASP 744 Ca 0.00 0.17 0.00 0.00 -0.52 0.00 0.00 52.55 52.20 1xfd s ASP 744 Cb 0.00 1.75 0.00 0.00 -1.46 0.00 0.00 42.92 43.21 1xfd s ASP 744 CO 0.00 -0.21 0.61 0.49 0.52 0.00 0.00 175.17 176.57 1xfd n PHE 745 N 5.31 0.00 0.13 -5.34 3.01 -1.26 0.29 117.46 119.60 1xfd n PHE 745 Ca 0.06 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.54 1xfd n PHE 745 Cb 0.55 -0.11 0.01 0.00 -0.01 0.00 0.00 39.48 39.91 1xfd n PHE 745 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1xfd h LYS 746 N 0.00 0.00 -0.35 -1.08 1.57 -1.94 -3.15 116.57 111.62 1xfd h LYS 746 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xfd h LYS 746 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1xfd h LYS 746 CO 0.00 0.53 0.00 1.28 -0.57 0.00 0.00 179.45 180.69 1xfd n LEU 747 N -3.22 3.11 -4.90 2.94 4.77 0.15 -3.67 117.00 116.18 1xfd n LEU 747 Ca 0.01 -1.34 -0.21 0.00 -0.03 0.00 0.00 56.01 54.45 1xfd n LEU 747 Cb 0.76 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.60 1xfd n LEU 747 CO 0.41 0.67 -0.05 -0.47 -1.33 0.00 0.00 177.39 176.62 1xfd s TYR 748 N -1.55 3.07 0.06 -1.77 6.04 -1.19 -4.85 117.35 117.16 1xfd s TYR 748 Ca 0.37 -0.21 -0.37 0.00 0.04 0.00 0.00 57.07 56.91 1xfd s TYR 748 Cb 0.22 -1.76 -0.16 0.00 -1.04 0.00 0.00 41.96 39.21 1xfd s TYR 748 CO 0.30 0.21 1.38 0.00 -1.54 0.00 0.00 175.55 175.91 1xfd n ALA 749 N -1.43 -0.80 -0.15 3.97 0.00 -1.26 -1.09 120.51 119.75 1xfd n ALA 749 Ca -0.03 0.50 -0.12 0.00 0.00 0.00 0.00 53.44 53.79 1xfd n ALA 749 Cb 0.59 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.85 1xfd n ALA 749 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xfd h SER 750 N 4.84 -1.67 -1.44 0.00 4.64 -0.47 -1.33 113.55 118.11 1xfd h SER 750 Ca -0.48 0.22 0.42 0.00 -0.47 0.00 0.00 61.79 61.49 1xfd h SER 750 Cb 1.33 0.69 -0.06 0.00 -0.31 0.00 0.00 62.40 64.05 1xfd h SER 750 CO 0.80 -0.34 1.05 0.00 -0.87 0.00 0.00 176.83 177.46 1xfd h ALA 751 N -0.14 3.36 0.00 5.18 0.00 -1.90 -0.86 119.26 124.90 1xfd h ALA 751 Ca 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xfd h ALA 751 Cb 0.50 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xfd h ALA 751 CO -0.56 -1.79 -0.41 0.35 0.00 0.00 0.00 179.25 176.84 1xfd h PHE 752 N 0.00 0.00 0.26 0.00 3.04 -1.62 -3.32 116.94 115.30 1xfd h PHE 752 Ca 0.68 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.64 1xfd h PHE 752 Cb 2.77 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 41.25 1xfd h PHE 752 CO 0.00 0.19 -0.34 0.77 -2.02 0.00 0.00 178.31 176.91 1xfd h SER 753 N -1.00 -0.94 -0.37 0.41 0.02 -1.07 -2.54 113.55 108.05 1xfd h SER 753 Ca -0.03 0.09 0.11 0.00 -0.84 0.00 0.00 61.79 61.12 1xfd h SER 753 Cb 0.46 0.33 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 1xfd h SER 753 CO -0.02 -0.46 0.27 -0.33 -1.14 0.00 0.00 176.83 175.16 1xfd h GLU 754 N -0.65 0.00 -0.61 3.45 5.08 -1.35 0.72 114.58 121.22 1xfd h GLU 754 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1xfd h GLU 754 Cb 0.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1xfd h GLU 754 CO -0.11 0.00 0.18 -0.09 -1.00 0.00 0.00 179.01 177.99 1xfd h ARG 755 N 0.00 0.92 0.00 2.33 2.43 -1.55 0.64 114.38 119.15 1xfd h ARG 755 Ca 0.18 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 59.03 1xfd h ARG 755 Cb 0.72 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1xfd h ARG 755 CO -0.00 0.79 -2.01 0.66 -1.51 0.00 0.00 179.97 177.91 1xfd n TYR 756 N -4.28 0.00 0.26 2.20 4.01 -0.65 -4.54 117.16 114.16 1xfd n TYR 756 Ca 0.05 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.83 1xfd n TYR 756 Cb 0.21 -0.62 0.06 0.00 -0.31 0.00 0.00 39.34 38.68 1xfd n TYR 756 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1xfd n LEU 757 N -2.37 1.99 -0.03 7.72 4.77 0.16 0.60 117.00 129.84 1xfd n LEU 757 Ca -0.14 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.62 1xfd n LEU 757 Cb 0.74 -0.04 -0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1xfd n LEU 757 CO 0.39 0.42 -0.01 0.61 -1.33 0.00 0.00 177.39 177.47 1xfd n GLY 758 N 0.47 -1.98 3.72 -0.72 0.00 0.22 -4.83 105.19 102.07 1xfd n GLY 758 Ca 0.06 -1.49 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1xfd n GLY 758 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xfd s LEU 759 N -5.00 3.40 0.00 0.99 1.02 -1.26 -4.30 118.68 113.53 1xfd s LEU 759 Ca 0.00 2.47 0.00 0.00 0.02 0.00 0.00 54.13 56.62 1xfd s LEU 759 Cb 0.00 -4.60 0.00 0.00 0.02 0.00 0.00 46.19 41.61 1xfd s LEU 759 CO 0.00 -2.21 0.00 1.57 0.02 0.00 0.00 176.35 175.73 1xfd n HIS 760 N -2.44 0.00 0.00 0.29 -0.00 -1.26 -4.19 115.22 107.62 1xfd n HIS 760 Ca 0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.32 1xfd n HIS 760 Cb 0.49 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.36 1xfd n HIS 760 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xfd n GLY 761 N 5.00 0.44 0.90 1.57 0.00 -1.26 -3.39 105.19 108.45 1xfd n GLY 761 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1xfd n GLY 761 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1xfd n LEU 762 N 0.00 1.61 -3.04 0.99 7.94 -1.26 -4.82 117.00 118.42 1xfd n LEU 762 Ca 0.00 -0.80 -0.00 0.00 -1.11 0.00 0.00 56.01 54.09 1xfd n LEU 762 Cb 0.00 -0.31 -0.00 0.00 0.53 0.00 0.00 43.42 43.64 1xfd n LEU 762 CO 0.00 0.28 -0.44 -0.67 -1.11 0.00 0.00 177.39 175.44 1xfd n ASP 763 N 0.59 -6.72 0.00 1.96 4.64 -1.22 -4.79 116.55 111.02 1xfd n ASP 763 Ca 0.00 0.77 0.07 0.00 -1.38 0.00 0.00 54.79 54.25 1xfd n ASP 763 Cb 0.28 -2.64 0.40 0.00 -1.04 0.00 0.00 41.12 38.12 1xfd n ASP 763 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1xfd n ASN 764 N 1.35 0.00 -4.24 1.67 2.85 -1.26 -4.86 115.26 110.77 1xfd n ASN 764 Ca -0.02 -0.18 -0.32 0.00 -0.11 0.00 0.00 54.58 53.94 1xfd n ASN 764 Cb 0.33 -0.15 -0.09 0.00 1.24 0.00 0.00 39.78 41.11 1xfd n ASN 764 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1xfd n ARG 765 N -1.15 -0.88 0.00 1.20 -4.01 -1.26 -4.67 116.66 105.90 1xfd n ARG 765 Ca 0.09 0.10 0.00 0.00 -1.04 0.00 0.00 57.85 57.00 1xfd n ARG 765 Cb 0.08 -3.67 0.00 0.00 -3.04 0.00 0.00 32.46 25.84 1xfd n ARG 765 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1xfd n ALA 766 N -4.17 1.81 0.90 2.89 0.00 -1.26 -4.45 120.51 116.23 1xfd n ALA 766 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.38 1xfd n ALA 766 Cb 0.58 0.01 0.52 0.00 0.00 0.00 0.00 19.45 20.56 1xfd n ALA 766 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1xfd n TYR 767 N -1.38 0.00 -0.10 0.00 4.02 -1.26 -2.49 117.16 115.94 1xfd n TYR 767 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 1xfd n TYR 767 Cb 0.03 -0.41 -0.11 0.00 -0.02 0.00 0.00 39.34 38.82 1xfd n TYR 767 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1xfd n GLU 768 N -1.41 0.61 0.23 -0.72 0.00 -1.26 -4.06 120.64 114.03 1xfd n GLU 768 Ca 0.08 0.39 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1xfd n GLU 768 Cb 0.23 -1.63 0.38 0.00 0.00 0.00 0.00 31.44 30.42 1xfd n GLU 768 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 1xfd h MET 769 N -0.76 0.00 0.00 5.31 2.86 -1.80 -2.93 114.93 117.60 1xfd h MET 769 Ca -0.51 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.13 1xfd h MET 769 Cb 1.57 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.23 1xfd h MET 769 CO -0.24 0.11 0.00 1.79 1.06 0.00 0.00 176.91 179.64 1xfd h THR 770 N 0.00 0.00 -1.74 2.22 1.35 -1.69 -3.46 112.91 109.59 1xfd h THR 770 Ca -0.00 -0.97 -0.68 0.00 -0.55 0.00 0.00 66.41 64.21 1xfd h THR 770 Cb 0.83 1.97 0.04 0.00 -1.73 0.00 0.00 68.15 69.25 1xfd h THR 770 CO 0.01 0.00 0.75 0.29 -0.25 0.00 0.00 175.52 176.32 1xfd n LYS 771 N -3.06 1.40 0.12 4.72 5.02 -1.11 -4.80 118.16 120.45 1xfd n LYS 771 Ca 0.04 0.51 0.11 0.00 -2.02 0.00 0.00 58.31 56.95 1xfd n LYS 771 Cb 0.52 -2.21 0.47 0.00 -0.02 0.00 0.00 35.03 33.79 1xfd n LYS 771 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1xfd n VAL 772 N 3.74 0.92 -0.34 -0.18 3.14 -1.19 -3.06 118.33 121.37 1xfd n VAL 772 Ca 0.22 0.33 0.06 0.00 -2.96 0.00 0.00 64.34 61.99 1xfd n VAL 772 Cb 0.19 -1.25 0.23 0.00 -1.06 0.00 0.00 33.84 31.94 1xfd n VAL 772 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xfd h ALA 773 N 2.24 1.42 -0.30 1.55 0.00 -1.87 -1.42 119.26 120.89 1xfd h ALA 773 Ca 0.00 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1xfd h ALA 773 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xfd h ALA 773 CO 0.00 0.15 0.21 0.45 0.00 0.00 0.00 179.25 180.06 1xfd h HIS 774 N 0.90 0.10 0.22 0.00 3.86 -1.91 -3.09 115.15 115.22 1xfd h HIS 774 Ca 0.48 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.39 1xfd h HIS 774 Cb 0.50 -0.03 0.03 0.00 1.06 0.00 0.00 27.41 28.97 1xfd h HIS 774 CO -0.02 0.05 -1.36 0.00 0.86 0.00 0.00 177.93 177.46 1xfd h ARG 775 N 0.10 0.46 0.00 2.45 2.47 -1.49 -3.32 114.38 115.05 1xfd h ARG 775 Ca 0.14 -0.79 0.00 0.00 -1.26 0.00 0.00 59.98 58.06 1xfd h ARG 775 Cb 0.42 0.30 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1xfd h ARG 775 CO -0.01 1.38 0.09 -0.39 0.56 0.00 0.00 179.97 181.60 1xfd h VAL 776 N 0.01 0.00 -0.99 2.04 -1.51 -1.47 -1.91 116.25 112.42 1xfd h VAL 776 Ca -0.24 0.00 0.20 0.00 -1.23 0.00 0.00 66.70 65.42 1xfd h VAL 776 Cb 2.03 0.63 -0.10 0.00 -2.13 0.00 0.00 31.29 31.73 1xfd h VAL 776 CO 0.23 0.00 0.62 0.28 -1.23 0.00 0.00 177.57 177.47 1xfd h SER 777 N 0.00 0.68 0.00 4.19 0.02 -1.66 -3.22 113.55 113.56 1xfd h SER 777 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1xfd h SER 777 Cb 0.18 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1xfd h SER 777 CO 0.00 0.24 0.00 0.00 -1.14 0.00 0.00 176.83 175.93 1xfd n ALA 778 N -2.38 0.00 -1.37 3.77 0.00 -0.72 -4.94 120.51 114.88 1xfd n ALA 778 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1xfd n ALA 778 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 1xfd n ALA 778 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xfd n LEU 779 N 0.00 -1.12 -0.03 0.00 4.77 -1.22 -4.97 117.00 114.43 1xfd n LEU 779 Ca 0.00 0.55 -0.06 0.00 -0.03 0.00 0.00 56.01 56.46 1xfd n LEU 779 Cb 0.00 -0.84 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 1xfd n LEU 779 CO 0.00 -1.15 -0.70 -0.62 -1.33 0.00 0.00 177.39 173.59 1xfd n GLU 780 N 1.81 0.12 0.00 3.23 1.02 -1.26 -4.88 120.64 120.68 1xfd n GLU 780 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 1xfd n GLU 780 Cb 0.00 -0.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 1xfd n GLU 780 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1xfd n GLU 781 N -3.21 0.97 -2.47 3.49 -0.00 -1.26 -4.96 120.64 113.21 1xfd n GLU 781 Ca -0.11 -0.18 -0.36 0.00 -0.00 0.00 0.00 57.16 56.51 1xfd n GLU 781 Cb 0.58 -0.60 -0.03 0.00 -0.00 0.00 0.00 31.44 31.39 1xfd n GLU 781 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 1xfd s GLN 782 N -0.19 3.89 -0.10 3.44 1.11 -1.26 -4.98 119.66 121.57 1xfd s GLN 782 Ca 0.00 1.51 -0.22 0.00 0.01 0.00 0.00 55.36 56.66 1xfd s GLN 782 Cb 0.00 -2.30 -0.03 0.00 -1.01 0.00 0.00 33.01 29.66 1xfd s GLN 782 CO 0.00 -0.38 0.65 -0.65 0.01 0.00 0.00 175.29 174.92 1xfd s GLN 783 N -2.87 4.38 -0.23 2.91 -0.21 -0.62 -4.81 119.66 118.21 1xfd s GLN 783 Ca 0.64 0.76 0.01 0.00 0.02 0.00 0.00 55.36 56.79 1xfd s GLN 783 Cb -0.21 -3.47 0.04 0.00 1.00 0.00 0.00 33.01 30.36 1xfd s GLN 783 CO 0.26 0.02 -0.12 0.12 -2.12 0.00 0.00 175.29 173.45 1xfd s PHE 784 N 0.99 3.05 -0.29 0.91 5.36 -1.26 -1.15 117.98 125.60 1xfd s PHE 784 Ca 0.34 -1.85 -0.04 0.00 -0.96 0.00 0.00 56.93 54.42 1xfd s PHE 784 Cb -0.17 -1.97 0.03 0.00 -0.34 0.00 0.00 43.02 40.57 1xfd s PHE 784 CO 0.15 -0.81 0.02 -1.17 -1.46 0.00 0.00 175.22 171.95 1xfd s LEU 785 N 1.24 3.72 -0.23 6.12 1.98 -0.81 -0.26 118.68 130.45 1xfd s LEU 785 Ca -0.02 -0.98 -0.09 0.00 -2.89 0.00 0.00 54.13 50.15 1xfd s LEU 785 Cb -0.17 -1.76 -0.04 0.00 0.66 0.00 0.00 46.19 44.87 1xfd s LEU 785 CO -0.07 -0.21 0.12 -0.63 -1.89 0.00 0.00 176.35 173.67 1xfd s ILE 786 N 1.36 5.08 -0.13 6.68 1.01 0.46 -2.00 121.20 133.66 1xfd s ILE 786 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1xfd s ILE 786 Cb -0.18 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.93 1xfd s ILE 786 CO -0.01 0.37 -0.14 -0.63 0.00 0.00 0.00 174.94 174.54 1xfd s ILE 787 N 0.96 2.93 -0.22 2.92 1.01 -0.28 -0.74 121.20 127.76 1xfd s ILE 787 Ca 0.06 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.93 1xfd s ILE 787 Cb -0.13 -2.23 0.10 0.00 0.01 0.00 0.00 42.46 40.21 1xfd s ILE 787 CO 0.03 0.52 0.48 -2.28 0.00 0.00 0.00 174.94 173.70 1xfd s HIS 788 N 0.44 -0.92 0.05 3.97 2.46 -0.70 -0.10 115.29 120.49 1xfd s HIS 788 Ca -0.10 1.72 -0.31 0.00 0.47 0.00 0.00 55.06 56.84 1xfd s HIS 788 Cb -0.16 0.43 -0.06 0.00 -0.13 0.00 0.00 32.58 32.67 1xfd s HIS 788 CO 0.05 -0.52 1.29 -1.25 -2.47 0.00 0.00 174.74 171.84 1xfd s PRO 789 N 2.52 4.37 0.25 2.88 0.04 -1.26 -2.79 135.00 141.01 1xfd s PRO 789 Ca -0.04 1.88 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 1xfd s PRO 789 Cb -0.11 -3.38 0.36 0.00 0.04 0.00 0.00 34.50 31.40 1xfd s PRO 789 CO -0.15 -0.39 1.87 1.15 0.04 0.00 0.00 177.00 179.53 1xfd h THR 790 N 4.57 1.08 -0.97 1.26 2.02 -1.48 -2.80 112.91 116.58 1xfd h THR 790 Ca -0.40 -0.37 -0.65 0.00 0.77 0.00 0.00 66.41 65.76 1xfd h THR 790 Cb 1.20 -0.10 -0.28 0.00 -1.74 0.00 0.00 68.15 67.23 1xfd h THR 790 CO 0.85 0.20 0.83 0.00 0.37 0.00 0.00 175.52 177.77 1xfd n ALA 791 N -2.36 6.21 -1.86 6.16 0.00 0.15 -4.52 120.51 124.29 1xfd n ALA 791 Ca 0.14 -3.32 -0.42 0.00 0.00 0.00 0.00 53.44 49.83 1xfd n ALA 791 Cb 0.17 -1.73 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 1xfd n ALA 791 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xfd s ASP 792 N -1.66 6.48 0.14 0.00 -1.08 -1.06 -4.26 116.67 115.23 1xfd s ASP 792 Ca 0.62 2.33 0.24 0.00 -0.52 0.00 0.00 52.55 55.22 1xfd s ASP 792 Cb 0.49 -2.53 0.25 0.00 -1.46 0.00 0.00 42.92 39.67 1xfd s ASP 792 CO -0.00 -1.07 1.25 1.05 0.52 0.00 0.00 175.17 176.91 1xfd h GLU 793 N 10.42 0.00 0.00 4.34 9.09 -1.89 -3.33 114.58 133.20 1xfd h GLU 793 Ca -0.43 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 58.84 1xfd h GLU 793 Cb 1.20 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.28 1xfd h GLU 793 CO 0.95 0.00 -1.06 1.17 0.05 0.00 0.00 179.01 180.12 1xfd n LYS 794 N -2.24 0.52 -3.91 1.06 4.81 -1.26 -4.74 118.16 112.40 1xfd n LYS 794 Ca 0.02 0.49 -0.32 0.00 -0.87 0.00 0.00 58.31 57.63 1xfd n LYS 794 Cb 0.46 -1.67 -0.13 0.00 0.02 0.00 0.00 35.03 33.71 1xfd n LYS 794 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1xfd s ILE 795 N -2.38 2.76 0.26 3.15 1.01 -1.26 -4.80 121.20 119.94 1xfd s ILE 795 Ca -0.24 -2.85 -0.29 0.00 0.00 0.00 0.00 60.65 57.27 1xfd s ILE 795 Cb 0.05 -2.92 -0.15 0.00 0.01 0.00 0.00 42.46 39.45 1xfd s ILE 795 CO 0.41 -0.74 0.97 1.41 0.00 0.00 0.00 174.94 176.99 1xfd n HIS 796 N 3.66 1.03 0.32 3.97 8.25 -1.25 -4.74 115.22 126.45 1xfd n HIS 796 Ca 0.04 0.74 0.18 0.00 -0.26 0.00 0.00 57.72 58.42 1xfd n HIS 796 Cb 0.37 -2.21 0.91 0.00 1.12 0.00 0.00 29.99 30.18 1xfd n HIS 796 CO 0.00 0.00 0.00 0.35 0.64 0.00 0.00 176.34 177.33 1xfd h PHE 797 N 2.10 0.00 -1.02 4.41 3.57 -1.79 -0.28 116.94 123.92 1xfd h PHE 797 Ca -0.39 0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.37 1xfd h PHE 797 Cb 1.35 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.98 1xfd h PHE 797 CO 0.48 0.00 0.62 0.37 -2.23 0.00 0.00 178.31 177.55 1xfd h GLN 798 N 0.00 0.51 0.75 1.11 4.15 -1.93 -0.00 115.11 119.69 1xfd h GLN 798 Ca 0.02 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1xfd h GLN 798 Cb 0.52 -0.11 0.01 0.00 0.21 0.00 0.00 27.48 28.10 1xfd h GLN 798 CO -0.00 0.33 -0.36 0.45 -1.93 0.00 0.00 178.83 177.33 1xfd h HIS 799 N 0.52 -0.93 -0.88 3.99 3.86 -1.35 0.22 115.15 120.58 1xfd h HIS 799 Ca 0.64 -0.02 0.15 0.00 -1.16 0.00 0.00 60.37 59.97 1xfd h HIS 799 Cb 1.33 0.31 -0.07 0.00 1.06 0.00 0.00 27.41 30.04 1xfd h HIS 799 CO -0.01 -0.57 0.57 1.15 0.86 0.00 0.00 177.93 179.93 1xfd h THR 800 N -1.01 0.82 0.21 2.45 2.02 -1.31 0.97 112.91 117.05 1xfd h THR 800 Ca -0.10 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1xfd h THR 800 Cb 0.77 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1xfd h THR 800 CO 0.17 0.12 -0.10 0.00 0.37 0.00 0.00 175.52 176.08 1xfd h ALA 801 N 1.60 -0.28 -0.88 6.16 0.00 -0.65 -0.87 119.26 124.35 1xfd h ALA 801 Ca 0.45 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.27 1xfd h ALA 801 Cb 0.76 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 1xfd h ALA 801 CO -0.20 -0.56 0.56 1.49 0.00 0.00 0.00 179.25 180.54 1xfd h GLU 802 N -0.47 1.03 -0.12 0.00 4.57 0.00 -1.91 114.58 117.68 1xfd h GLU 802 Ca -0.03 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1xfd h GLU 802 Cb 0.36 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1xfd h GLU 802 CO 0.05 0.68 0.07 1.25 -1.18 0.00 0.00 179.01 179.88 1xfd h LEU 803 N 1.06 0.15 -1.41 1.64 5.85 -0.65 -2.57 115.31 119.37 1xfd h LEU 803 Ca 0.37 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1xfd h LEU 803 Cb 0.08 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1xfd h LEU 803 CO -0.14 0.16 0.36 0.40 -0.34 0.00 0.00 178.44 178.87 1xfd h ILE 804 N 0.12 1.15 -0.70 4.05 2.04 -0.79 -0.11 117.51 123.28 1xfd h ILE 804 Ca 0.04 -0.31 0.04 0.00 1.00 0.00 0.00 64.86 65.63 1xfd h ILE 804 Cb 0.04 0.34 -0.05 0.00 -0.74 0.00 0.00 36.82 36.41 1xfd h ILE 804 CO -0.01 0.15 0.43 0.74 0.00 0.00 0.00 178.15 179.46 1xfd h THR 805 N 0.77 1.05 -0.43 -0.27 2.02 -0.98 0.61 112.91 115.69 1xfd h THR 805 Ca 0.21 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 1xfd h THR 805 Cb -0.06 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.50 1xfd h THR 805 CO -0.04 0.15 -0.05 1.56 0.37 0.00 0.00 175.52 177.51 1xfd h GLN 806 N 0.81 0.79 -0.34 6.66 1.08 -0.82 -1.43 115.11 121.86 1xfd h GLN 806 Ca 0.29 -0.28 0.02 0.00 -1.45 0.00 0.00 58.65 57.23 1xfd h GLN 806 Cb 0.08 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1xfd h GLN 806 CO -0.13 0.89 0.23 -0.07 -0.95 0.00 0.00 178.83 178.79 1xfd h LEU 807 N 0.62 0.34 -0.12 1.46 3.38 -0.39 0.21 115.31 120.81 1xfd h LEU 807 Ca 0.12 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 1xfd h LEU 807 Cb 0.56 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1xfd h LEU 807 CO 0.03 0.24 -0.51 0.40 0.09 0.00 0.00 178.44 178.69 1xfd h ILE 808 N 0.40 1.35 -0.39 1.22 2.04 -0.43 0.20 117.51 121.90 1xfd h ILE 808 Ca 0.13 -1.81 -0.13 0.00 1.00 0.00 0.00 64.86 64.05 1xfd h ILE 808 Cb 0.04 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.23 1xfd h ILE 808 CO -0.03 0.55 -0.30 0.03 0.00 0.00 0.00 178.15 178.40 1xfd h ARG 809 N 0.19 0.84 0.00 2.37 3.08 -0.79 -2.40 114.38 117.67 1xfd h ARG 809 Ca -0.03 -0.39 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1xfd h ARG 809 Cb 1.15 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1xfd h ARG 809 CO 0.11 1.02 0.00 0.41 -1.07 0.00 0.00 179.97 180.44 1xfd n GLY 810 N -0.07 -0.98 3.90 0.04 0.00 0.70 -4.91 105.19 103.88 1xfd n GLY 810 Ca -0.01 -0.17 -0.28 0.00 0.00 0.00 0.00 46.02 45.56 1xfd n GLY 810 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xfd n LYS 811 N -0.94 -4.71 -3.12 1.61 5.02 -0.51 -4.98 118.16 110.54 1xfd n LYS 811 Ca 0.20 0.55 -0.20 0.00 -2.02 0.00 0.00 58.31 56.84 1xfd n LYS 811 Cb 0.09 -5.20 0.01 0.00 -0.02 0.00 0.00 35.03 29.91 1xfd n LYS 811 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xfd s ALA 812 N -3.51 4.13 -0.16 7.82 0.00 0.57 -5.03 121.76 125.58 1xfd s ALA 812 Ca 0.38 -1.39 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 1xfd s ALA 812 Cb -0.19 -1.84 -0.04 0.00 0.00 0.00 0.00 23.12 21.05 1xfd s ALA 812 CO 0.85 -0.29 0.02 -0.80 0.00 0.00 0.00 175.76 175.54 1xfd s ASN 813 N -4.27 5.33 0.34 0.00 0.01 -1.26 -4.73 114.94 110.36 1xfd s ASN 813 Ca 0.50 0.03 0.07 0.00 -0.71 0.00 0.00 52.86 52.75 1xfd s ASN 813 Cb -0.10 -1.85 -0.03 0.00 0.41 0.00 0.00 41.25 39.68 1xfd s ASN 813 CO 0.34 0.20 0.30 0.00 -1.51 0.00 0.00 177.10 176.44 1xfd n TYR 814 N 3.34 -0.86 -3.69 2.20 4.11 -1.26 -3.99 117.16 117.01 1xfd n TYR 814 Ca -0.17 -2.84 -0.11 0.00 -0.00 0.00 0.00 57.90 54.78 1xfd n TYR 814 Cb 0.52 0.32 -0.09 0.00 -0.00 0.00 0.00 39.34 40.09 1xfd n TYR 814 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1xfd s SER 815 N -3.37 -0.60 -0.03 9.48 0.15 0.64 -4.89 113.70 115.08 1xfd s SER 815 Ca 0.40 1.06 0.05 0.00 0.70 0.00 0.00 55.95 58.16 1xfd s SER 815 Cb 0.02 1.00 -0.03 0.00 -1.71 0.00 0.00 66.02 65.30 1xfd s SER 815 CO 0.28 -0.19 -0.17 -0.22 1.20 0.00 0.00 173.24 174.14 1xfd s LEU 816 N 0.94 2.60 -0.11 3.45 0.20 -1.26 -0.40 118.68 124.09 1xfd s LEU 816 Ca -0.05 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.51 1xfd s LEU 816 Cb -0.06 -1.51 0.02 0.00 -0.43 0.00 0.00 46.19 44.21 1xfd s LEU 816 CO -0.08 0.33 -0.13 -1.10 -0.29 0.00 0.00 176.35 175.08 1xfd s GLN 817 N -0.79 2.03 0.26 1.98 -0.21 0.08 -4.96 119.66 118.05 1xfd s GLN 817 Ca 0.12 -0.48 0.09 0.00 0.02 0.00 0.00 55.36 55.11 1xfd s GLN 817 Cb -0.10 -1.81 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 1xfd s GLN 817 CO 0.01 -0.13 0.01 -1.50 -2.12 0.00 0.00 175.29 171.56 1xfd s ILE 818 N 1.19 3.54 -0.56 1.08 1.10 -1.26 -1.72 121.20 124.57 1xfd s ILE 818 Ca -0.03 -1.85 0.05 0.00 -0.51 0.00 0.00 60.65 58.31 1xfd s ILE 818 Cb -0.14 -2.89 0.18 0.00 0.15 0.00 0.00 42.46 39.76 1xfd s ILE 818 CO -0.04 -0.36 0.45 -1.22 -2.11 0.00 0.00 174.94 171.66 1xfd n TYR 819 N -0.89 1.30 -1.42 3.50 4.01 -1.12 -4.94 117.16 117.61 1xfd n TYR 819 Ca -0.07 -3.83 -0.55 0.00 -0.16 0.00 0.00 57.90 53.28 1xfd n TYR 819 Cb 0.59 -0.23 -0.08 0.00 -0.31 0.00 0.00 39.34 39.31 1xfd n TYR 819 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1xfd n PRO 820 N 2.23 0.00 -0.68 -0.72 -0.02 -1.26 -0.94 135.00 133.61 1xfd n PRO 820 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1xfd n PRO 820 Cb 0.42 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 1xfd n PRO 820 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xfd n ASP 821 N 2.43 -2.95 -4.78 2.55 8.00 -1.26 -4.86 116.55 115.69 1xfd n ASP 821 Ca 0.22 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.35 1xfd n ASP 821 Cb 0.01 -2.69 -0.05 0.00 -0.02 0.00 0.00 41.12 38.36 1xfd n ASP 821 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1xfd s GLU 822 N -1.36 4.47 0.79 -1.24 0.41 -0.12 -4.46 118.70 117.19 1xfd s GLU 822 Ca 0.00 1.46 -0.13 0.00 -0.41 0.00 0.00 54.97 55.89 1xfd s GLU 822 Cb 0.00 -2.79 0.19 0.00 -1.78 0.00 0.00 34.13 29.75 1xfd s GLU 822 CO 0.00 0.15 0.79 0.45 -0.49 0.00 0.00 175.26 176.16 1xfd n SER 823 N 0.49 -1.20 0.08 -0.19 2.88 -1.26 -0.67 113.62 113.74 1xfd n SER 823 Ca 0.02 -1.07 -0.11 0.00 -1.33 0.00 0.00 58.87 56.39 1xfd n SER 823 Cb 0.49 -0.69 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 1xfd n SER 823 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1xfd h HIS 824 N -2.10 0.40 0.02 0.66 -0.00 -1.90 -3.41 115.15 108.82 1xfd h HIS 824 Ca -0.28 -0.23 -0.22 0.00 -0.00 0.00 0.00 60.37 59.64 1xfd h HIS 824 Cb 0.84 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.18 1xfd h HIS 824 CO 0.00 1.05 -1.06 1.88 -0.00 0.00 0.00 177.93 179.80 1xfd h TYR 825 N 0.15 0.06 -4.20 5.26 -1.99 -1.94 -3.49 116.97 110.81 1xfd h TYR 825 Ca -0.06 -0.04 -0.11 0.00 2.00 0.00 0.00 58.73 60.52 1xfd h TYR 825 Cb 1.55 -0.00 0.09 0.00 2.00 0.00 0.00 36.73 40.36 1xfd h TYR 825 CO 0.04 1.03 -0.37 1.19 -0.00 0.00 0.00 178.16 180.06 1xfd n PHE 826 N -3.36 -1.25 -1.09 4.88 3.01 -1.26 -4.92 117.46 113.47 1xfd n PHE 826 Ca -0.02 0.44 -0.24 0.00 1.01 0.00 0.00 57.45 58.64 1xfd n PHE 826 Cb 0.95 -3.24 0.05 0.00 -0.01 0.00 0.00 39.48 37.24 1xfd n PHE 826 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1xfd n THR 827 N -2.22 3.14 -3.75 4.37 -2.24 -1.26 -4.62 114.28 107.70 1xfd n THR 827 Ca -0.03 -2.21 -0.28 0.00 -2.27 0.00 0.00 64.05 59.26 1xfd n THR 827 Cb 0.55 -1.27 -0.16 0.00 -2.10 0.00 0.00 70.33 67.35 1xfd n THR 827 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1xfd s SER 828 N -0.64 2.94 0.29 3.42 0.15 -1.26 -5.00 113.70 113.61 1xfd s SER 828 Ca 0.45 -0.83 0.05 0.00 0.70 0.00 0.00 55.95 56.32 1xfd s SER 828 Cb 0.35 -0.63 0.73 0.00 -1.71 0.00 0.00 66.02 64.76 1xfd s SER 828 CO -0.01 -0.30 1.73 0.77 1.20 0.00 0.00 173.24 176.63 1xfd h SER 829 N 8.23 0.52 -0.03 5.45 4.64 -1.98 0.82 113.55 131.20 1xfd h SER 829 Ca -0.16 0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1xfd h SER 829 Cb 1.12 0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.24 1xfd h SER 829 CO 0.34 0.10 -0.14 -1.28 -0.87 0.00 0.00 176.83 174.99 1xfd h SER 830 N 0.54 -0.40 0.09 4.97 0.87 -1.98 -0.46 113.55 117.17 1xfd h SER 830 Ca 0.57 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 61.19 1xfd h SER 830 Cb 1.01 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1xfd h SER 830 CO -0.46 -0.19 -0.04 -0.07 -0.53 0.00 0.00 176.83 175.53 1xfd h LEU 831 N -0.22 -0.10 -0.89 2.23 3.38 -1.04 -2.67 115.31 116.01 1xfd h LEU 831 Ca 0.06 -0.34 0.21 0.00 0.09 0.00 0.00 57.88 57.90 1xfd h LEU 831 Cb 0.29 0.03 -0.12 0.00 0.09 0.00 0.00 40.66 40.94 1xfd h LEU 831 CO -0.15 0.30 0.39 0.50 0.09 0.00 0.00 178.44 179.57 1xfd h LYS 832 N -0.52 0.41 0.80 1.13 3.64 0.56 0.23 116.57 122.82 1xfd h LYS 832 Ca -0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1xfd h LYS 832 Cb 0.43 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 1xfd h LYS 832 CO 0.02 0.27 -0.44 0.37 -2.27 0.00 0.00 179.45 177.40 1xfd h GLN 833 N 0.42 -1.11 -0.91 1.90 4.15 -1.02 -0.52 115.11 118.02 1xfd h GLN 833 Ca 0.55 0.08 0.20 0.00 0.77 0.00 0.00 58.65 60.24 1xfd h GLN 833 Cb 1.02 0.25 -0.11 0.00 0.21 0.00 0.00 27.48 28.85 1xfd h GLN 833 CO -0.51 -0.74 0.47 1.25 -1.93 0.00 0.00 178.83 177.37 1xfd h HIS 834 N -1.15 0.80 0.58 3.99 2.76 -0.74 -0.04 115.15 121.35 1xfd h HIS 834 Ca -0.11 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.08 1xfd h HIS 834 Cb 0.90 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.64 1xfd h HIS 834 CO -0.06 0.07 -0.47 1.25 -1.30 0.00 0.00 177.93 177.43 1xfd h LEU 835 N 0.54 -1.24 -0.21 0.26 6.46 -0.08 -0.29 115.31 120.74 1xfd h LEU 835 Ca 0.55 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 58.45 1xfd h LEU 835 Cb 0.94 0.39 -0.07 0.00 -0.73 0.00 0.00 40.66 41.20 1xfd h LEU 835 CO -0.45 -0.66 -0.28 1.88 -0.62 0.00 0.00 178.44 178.31 1xfd h TYR 836 N -1.02 -0.76 -0.36 1.25 0.99 -0.05 -0.21 116.97 116.80 1xfd h TYR 836 Ca -0.08 0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.77 1xfd h TYR 836 Cb 0.85 0.37 -0.09 0.00 1.00 0.00 0.00 36.73 38.86 1xfd h TYR 836 CO -0.18 -0.36 -0.33 0.00 -0.00 0.00 0.00 178.16 177.29 1xfd h ARG 837 N -0.31 -0.26 -0.35 4.88 3.08 -0.91 0.27 114.38 120.79 1xfd h ARG 837 Ca 0.12 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.27 1xfd h ARG 837 Cb 0.50 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.53 1xfd h ARG 837 CO -0.39 -0.18 -0.27 0.77 -1.07 0.00 0.00 179.97 178.84 1xfd h SER 838 N -0.28 -0.89 0.23 7.04 0.02 -0.20 0.14 113.55 119.61 1xfd h SER 838 Ca 0.16 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 1xfd h SER 838 Cb 0.54 0.43 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1xfd h SER 838 CO -0.51 -0.29 -0.22 0.40 -1.14 0.00 0.00 176.83 175.07 1xfd h ILE 839 N -0.23 0.53 -0.97 3.27 2.04 0.57 -2.29 117.51 120.44 1xfd h ILE 839 Ca 0.17 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.08 1xfd h ILE 839 Cb 0.49 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1xfd h ILE 839 CO -0.48 0.00 0.63 0.16 0.00 0.00 0.00 178.15 178.46 1xfd h ILE 840 N -0.48 1.13 0.00 -0.67 3.07 0.05 -1.17 117.51 119.44 1xfd h ILE 840 Ca -0.00 -0.40 -0.00 0.00 1.55 0.00 0.00 64.86 66.00 1xfd h ILE 840 Cb 0.44 -0.15 -0.00 0.00 -0.27 0.00 0.00 36.82 36.84 1xfd h ILE 840 CO -0.05 0.21 -0.01 0.78 -1.05 0.00 0.00 178.15 178.04 1xfd h ASN 841 N 1.17 0.00 0.10 2.16 4.21 -0.34 -1.42 115.58 121.46 1xfd h ASN 841 Ca 0.40 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.90 1xfd h ASN 841 Cb 0.08 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.28 1xfd h ASN 841 CO -0.14 0.01 -0.05 0.15 -1.29 0.00 0.00 177.43 176.11 1xfd h PHE 842 N 0.00 -0.12 -0.39 1.19 3.57 -0.66 -3.24 116.94 117.30 1xfd h PHE 842 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xfd h PHE 842 Cb 0.02 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1xfd h PHE 842 CO 0.00 -0.07 0.23 0.74 -2.23 0.00 0.00 178.31 176.97 1xfd h PHE 843 N -0.85 0.51 -0.46 0.41 0.05 -1.51 -2.13 116.94 112.96 1xfd h PHE 843 Ca -0.01 -0.00 0.13 0.00 3.82 0.00 0.00 57.97 61.91 1xfd h PHE 843 Cb 0.10 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 1xfd h PHE 843 CO 0.00 0.38 0.37 -0.24 -0.18 0.00 0.00 178.31 178.64 1xfd h VAL 844 N 0.50 0.63 0.00 -0.55 3.04 -1.44 -2.43 116.25 115.99 1xfd h VAL 844 Ca 0.14 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.83 1xfd h VAL 844 Cb 0.02 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 1xfd h VAL 844 CO -0.02 0.00 0.00 -0.62 -1.01 0.00 0.00 177.57 175.92 1xfd n GLU 845 N -4.17 0.00 0.00 4.17 -0.58 -0.83 -2.64 120.64 116.59 1xfd n GLU 845 Ca 0.08 0.45 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 1xfd n GLU 845 Cb 0.57 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1xfd n GLU 845 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xfd n PHE 847 N 0.81 -0.23 -1.73 0.00 3.01 -0.94 -4.87 117.46 113.52 1xfd n PHE 847 Ca 0.00 0.04 -0.40 0.00 1.01 0.00 0.00 57.45 58.10 1xfd n PHE 847 Cb 0.06 0.08 0.02 0.00 -0.01 0.00 0.00 39.48 39.63 1xfd n PHE 847 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1xfd n ARG 848 N -3.27 1.96 0.00 -1.08 3.00 -0.99 -4.99 116.66 111.29 1xfd n ARG 848 Ca 0.00 0.70 0.01 0.00 -0.00 0.00 0.00 57.85 58.56 1xfd n ARG 848 Cb 0.17 -2.50 0.01 0.00 0.00 0.00 0.00 32.46 30.13 1xfd n ARG 848 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14