#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 0.59 0.00 2.61 -2.85 -1.26 -5.13 119.74 113.70 1xfd s LYS 128 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.99 1xfd s LYS 128 Cb 0.00 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 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 1.77 0.00 -3.67 1.78 3.00 -1.26 -4.11 118.16 115.67 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 35.55 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 3.58 -0.06 1.64 1.02 -1.26 -1.98 119.74 122.67 1xfd s LYS 130 Ca 0.00 -0.19 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1xfd s LYS 130 Cb 0.00 -2.84 -0.05 0.00 -0.52 0.00 0.00 37.83 34.42 1xfd s LYS 130 CO 0.00 0.44 1.53 0.08 -0.92 0.00 0.00 175.35 176.48 1xfd s VAL 131 N -1.75 3.72 0.39 3.17 1.01 -1.26 -4.87 120.40 120.81 1xfd s VAL 131 Ca 0.40 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.38 1xfd s VAL 131 Cb -0.12 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 1xfd s VAL 131 CO 0.27 -0.07 0.15 0.28 0.00 0.00 0.00 175.10 175.73 1xfd s THR 132 N 3.60 2.43 0.24 3.92 -1.32 -1.26 -3.80 115.64 119.45 1xfd s THR 132 Ca 0.68 -1.74 -0.07 0.00 -1.21 0.00 0.00 61.69 59.35 1xfd s THR 132 Cb -0.31 -2.97 0.23 0.00 -1.51 0.00 0.00 72.50 67.94 1xfd s THR 132 CO 0.26 -0.05 1.90 0.58 -2.21 0.00 0.00 174.62 175.10 1xfd h VAL 133 N 1.51 1.20 -0.54 5.08 2.07 -1.97 -1.44 116.25 122.15 1xfd h VAL 133 Ca -0.43 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 66.75 1xfd h VAL 133 Cb 1.25 -0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 1xfd h VAL 133 CO 0.69 0.22 0.21 -0.33 0.02 0.00 0.00 177.57 178.38 1xfd h GLU 134 N 1.21 0.39 -0.45 1.57 3.07 -1.96 -1.10 114.58 117.31 1xfd h GLU 134 Ca 0.35 -0.02 0.08 0.00 -0.50 0.00 0.00 59.36 59.27 1xfd h GLU 134 Cb -0.07 -0.09 -0.07 0.00 -0.84 0.00 0.00 28.75 27.68 1xfd h GLU 134 CO -0.10 0.26 0.05 -0.44 -1.40 0.00 0.00 179.01 177.38 1xfd h ASP 135 N 0.41 -0.09 -0.77 1.42 3.32 -1.68 -1.58 116.42 117.45 1xfd h ASP 135 Ca 0.26 0.09 0.18 0.00 0.02 0.00 0.00 57.03 57.58 1xfd h ASP 135 Cb 0.27 0.14 -0.12 0.00 0.22 0.00 0.00 39.33 39.84 1xfd h ASP 135 CO -0.25 -0.01 0.13 -0.07 -1.72 0.00 0.00 179.24 177.32 1xfd h LEU 136 N 0.17 -0.11 -3.48 1.55 3.38 -0.66 0.21 115.31 116.37 1xfd h LEU 136 Ca 0.22 0.17 -0.18 0.00 0.09 0.00 0.00 57.88 58.19 1xfd h LEU 136 Cb 0.31 0.26 -0.11 0.00 0.09 0.00 0.00 40.66 41.21 1xfd h LEU 136 CO -0.33 -0.11 0.23 0.49 0.09 0.00 0.00 178.44 178.81 1xfd n PHE 137 N -5.24 2.21 -2.83 1.13 3.72 -0.71 -4.80 117.46 110.95 1xfd n PHE 137 Ca 0.16 -1.06 -0.37 0.00 -0.05 0.00 0.00 57.45 56.13 1xfd n PHE 137 Cb 0.51 -0.63 -0.06 0.00 -0.94 0.00 0.00 39.48 38.36 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 -0.83 7.28 0.00 4.37 0.01 0.75 -4.90 113.70 120.38 1xfd s SER 138 Ca 0.50 1.77 0.11 0.00 1.31 0.00 0.00 55.95 59.63 1xfd s SER 138 Cb 0.39 -2.56 0.47 0.00 0.21 0.00 0.00 66.02 64.54 1xfd s SER 138 CO 0.12 -0.07 1.33 1.21 0.41 0.00 0.00 173.24 176.25 1xfd n GLU 139 N 0.52 0.02 -0.00 12.44 4.07 -1.26 -2.24 120.64 134.18 1xfd n GLU 139 Ca 0.02 0.30 -0.17 0.00 -0.06 0.00 0.00 57.16 57.24 1xfd n GLU 139 Cb 0.50 -1.50 -0.14 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 0.27 -0.09 4.31 3.45 -1.90 -3.32 116.42 119.14 1xfd h ASP 140 Ca 0.00 -0.94 0.00 0.00 0.43 0.00 0.00 57.03 56.52 1xfd h ASP 140 Cb 0.17 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1xfd h ASP 140 CO 0.00 1.19 0.00 0.49 -1.57 0.00 0.00 179.24 179.35 1xfd n PHE 141 N -4.35 0.11 -2.50 4.55 3.01 -0.95 -3.24 117.46 114.09 1xfd n PHE 141 Ca -0.12 -0.06 -0.43 0.00 1.01 0.00 0.00 57.45 57.86 1xfd n PHE 141 Cb 0.65 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.10 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 -1.89 4.13 0.40 -1.08 2.20 -1.10 -4.96 119.74 117.44 1xfd s LYS 142 Ca 0.30 1.41 -0.24 0.00 -0.36 0.00 0.00 55.97 57.08 1xfd s LYS 142 Cb 0.15 -3.76 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 1xfd s LYS 142 CO 0.24 -0.83 1.03 0.42 -0.36 0.00 0.00 175.35 175.86 1xfd s ILE 143 N 3.69 3.81 -0.28 5.43 -1.09 -1.26 -4.82 121.20 126.68 1xfd s ILE 143 Ca 0.51 1.37 0.00 0.00 -2.23 0.00 0.00 60.65 60.31 1xfd s ILE 143 Cb -0.18 -3.70 0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1xfd s ILE 143 CO 0.15 -0.01 -0.06 -1.00 -1.23 0.00 0.00 174.94 172.80 1xfd s HIS 144 N -1.70 3.25 -0.37 3.97 3.76 -1.26 -5.08 115.29 117.87 1xfd s HIS 144 Ca 0.58 -2.07 -0.19 0.00 -0.15 0.00 0.00 55.06 53.22 1xfd s HIS 144 Cb -0.21 -2.02 0.00 0.00 1.11 0.00 0.00 32.58 31.47 1xfd s HIS 144 CO 0.26 -0.84 0.57 0.34 -0.85 0.00 0.00 174.74 174.22 1xfd s ASP 145 N 1.18 6.34 0.35 1.40 3.68 -1.26 -4.91 116.67 123.46 1xfd s ASP 145 Ca -0.07 -0.07 0.25 0.00 2.13 0.00 0.00 52.55 54.79 1xfd s ASP 145 Cb -0.20 -2.29 1.28 0.00 -1.45 0.00 0.00 42.92 40.26 1xfd s ASP 145 CO -0.03 -0.58 1.76 -0.65 0.13 0.00 0.00 175.17 175.80 1xfd h PRO 146 N 8.55 0.00 -6.47 4.34 0.11 -1.83 -3.46 132.00 133.25 1xfd h PRO 146 Ca -0.27 0.00 -0.49 0.00 0.11 0.00 0.00 66.00 65.35 1xfd h PRO 146 Cb 1.11 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1xfd h PRO 146 CO 0.82 0.00 -0.91 0.39 -0.21 0.00 0.00 178.00 178.09 1xfd n GLU 147 N -2.37 -2.57 -2.19 1.05 1.02 -1.26 -2.98 120.64 111.34 1xfd n GLU 147 Ca -0.01 0.39 -0.41 0.00 -0.02 0.00 0.00 57.16 57.11 1xfd n GLU 147 Cb 0.08 -4.29 -0.03 0.00 -0.02 0.00 0.00 31.44 27.18 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 3.52 -0.08 0.62 0.00 -1.26 -4.22 121.76 116.51 1xfd s ALA 148 Ca 0.14 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 1xfd s ALA 148 Cb -0.06 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.63 1xfd s ALA 148 CO 0.89 -0.55 0.16 0.21 0.00 0.00 0.00 175.76 176.47 1xfd s LYS 149 N -0.73 0.07 0.46 0.00 2.20 -1.26 -4.94 119.74 115.53 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 -0.37 -0.22 -0.07 0.00 -1.51 0.00 0.00 37.83 35.65 1xfd s LYS 149 CO 0.43 -0.25 1.28 -1.58 -0.36 0.00 0.00 175.35 174.88 1xfd s TRP 150 N 1.82 2.66 -0.01 4.03 0.52 -1.26 0.53 118.94 127.24 1xfd s TRP 150 Ca -0.02 1.43 0.02 0.00 0.02 0.00 0.00 56.10 57.54 1xfd s TRP 150 Cb -0.12 -3.64 -0.03 0.00 -1.15 0.00 0.00 33.47 28.54 1xfd s TRP 150 CO -0.06 -2.19 0.03 -0.89 0.02 0.00 0.00 176.95 173.85 1xfd n ILE 151 N -0.40 0.04 -3.01 2.03 5.41 -0.11 -4.83 119.36 118.50 1xfd n ILE 151 Ca 0.07 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.76 1xfd n ILE 151 Cb 0.45 -0.03 0.00 0.00 -0.71 0.00 0.00 39.64 39.35 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 -1.74 0.00 -1.18 4.38 3.41 -1.10 -4.98 113.62 112.40 1xfd n SER 152 Ca -0.01 -0.34 0.11 0.00 -0.26 0.00 0.00 58.87 58.37 1xfd n SER 152 Cb 0.22 0.00 0.28 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.80 3.46 0.00 4.04 3.85 -1.26 -0.69 116.55 125.15 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 -0.39 0.00 0.00 -1.35 0.00 0.00 41.12 39.38 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 1.41 0.00 -3.59 2.12 -2.24 -1.26 -4.64 114.28 106.09 1xfd n THR 154 Ca 0.21 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.69 1xfd n THR 154 Cb 0.56 1.26 -0.07 0.00 -2.10 0.00 0.00 70.33 69.98 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 -0.17 0.95 0.23 -0.78 -1.05 -1.26 -2.34 118.70 114.28 1xfd s GLU 155 Ca 0.00 0.17 0.11 0.00 -0.15 0.00 0.00 54.97 55.11 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 -0.28 -0.22 -0.59 0.95 0.00 0.00 175.26 175.12 1xfd s PHE 156 N -1.16 2.24 0.29 4.83 -0.12 -1.16 -0.94 117.98 121.97 1xfd s PHE 156 Ca -0.11 -0.36 0.03 0.00 -0.05 0.00 0.00 56.93 56.44 1xfd s PHE 156 Cb -0.01 -1.05 0.65 0.00 -0.63 0.00 0.00 43.02 41.97 1xfd s PHE 156 CO 0.08 0.57 1.80 0.82 -0.05 0.00 0.00 175.22 178.44 1xfd h ILE 157 N 2.81 0.79 -4.90 -4.49 1.08 -0.22 -2.50 117.51 110.08 1xfd h ILE 157 Ca -0.43 -0.29 -0.26 0.00 -0.39 0.00 0.00 64.86 63.49 1xfd h ILE 157 Cb 1.23 -0.13 0.13 0.00 -3.07 0.00 0.00 36.82 34.99 1xfd h ILE 157 CO 0.53 0.15 -0.61 0.00 -0.69 0.00 0.00 178.15 177.54 1xfd n TYR 158 N -4.72 -1.75 -1.56 1.37 9.36 -1.26 -1.95 117.16 116.65 1xfd n TYR 158 Ca 0.21 0.75 -0.41 0.00 3.32 0.00 0.00 57.90 61.77 1xfd n TYR 158 Cb 0.48 -4.45 0.01 0.00 -0.63 0.00 0.00 39.34 34.75 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 1.03 0.00 2.98 0.63 -1.16 -2.27 116.66 114.38 1xfd n ARG 159 Ca -0.23 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 1xfd n ARG 159 Cb 0.63 -1.86 0.00 0.00 0.45 0.00 0.00 32.46 31.69 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 0.21 0.00 0.10 -0.14 1.02 -1.24 -4.62 120.64 115.97 1xfd n GLU 160 Ca 0.11 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1xfd n GLU 160 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 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 0.06 0.00 1.63 0.09 0.00 0.00 178.83 180.61 1xfd n LYS 162 N -2.77 0.00 0.00 0.06 5.02 -1.26 -5.02 118.16 114.19 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 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 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 1.15 3.75 0.72 0.00 -1.26 -5.08 105.19 104.47 1xfd n GLY 163 Ca 0.00 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.25 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 2.11 -0.24 2.61 -1.32 -1.26 -4.63 115.64 112.91 1xfd s THR 164 Ca 0.00 0.08 -0.07 0.00 -1.21 0.00 0.00 61.69 60.49 1xfd s THR 164 Cb 0.00 -3.04 -0.03 0.00 -1.51 0.00 0.00 72.50 67.92 1xfd s THR 164 CO 0.00 -0.00 0.07 -0.69 -2.21 0.00 0.00 174.62 171.79 1xfd s VAL 165 N -1.33 4.41 0.00 5.08 1.01 0.25 -1.72 120.40 128.11 1xfd s VAL 165 Ca 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1xfd s VAL 165 Cb -0.40 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 32.93 1xfd s VAL 165 CO 0.46 0.35 0.00 0.54 0.00 0.00 0.00 175.10 176.45 1xfd n ARG 166 N 4.77 3.73 -2.75 2.72 5.12 -0.96 -0.73 116.66 128.55 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 -0.35 0.53 0.55 2.96 -0.82 -4.24 118.68 117.30 1xfd s LEU 167 Ca 0.00 -0.24 -0.20 0.00 -0.22 0.00 0.00 54.13 53.48 1xfd s LEU 167 Cb 0.00 0.45 -0.06 0.00 0.50 0.00 0.00 46.19 47.08 1xfd s LEU 167 CO 0.00 -0.03 1.11 0.26 -1.32 0.00 0.00 176.35 176.36 1xfd s TRP 168 N 1.72 2.75 -0.50 5.38 0.52 -0.94 -1.93 118.94 125.93 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 -3.23 0.15 0.00 -1.15 0.00 0.00 33.47 29.29 1xfd s TRP 168 CO -0.14 -1.39 0.33 1.21 0.02 0.00 0.00 176.95 176.98 1xfd s ASN 169 N -1.84 3.41 0.40 2.95 3.84 -1.22 -2.97 114.94 119.50 1xfd s ASN 169 Ca 0.71 -3.07 0.25 0.00 0.21 0.00 0.00 52.86 50.96 1xfd s ASN 169 Cb -0.22 -1.05 1.38 0.00 -0.55 0.00 0.00 41.25 40.81 1xfd s ASN 169 CO 0.25 -0.19 1.59 0.58 -2.79 0.00 0.00 177.10 176.54 1xfd h VAL 170 N 4.86 0.04 -0.60 -5.21 2.07 -1.84 -0.44 116.25 115.13 1xfd h VAL 170 Ca 0.10 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 1xfd h VAL 170 Cb 0.88 -0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 1xfd h VAL 170 CO 0.52 0.01 0.18 -0.33 0.02 0.00 0.00 177.57 177.96 1xfd h GLU 171 N 0.04 0.92 -1.73 1.57 5.08 -1.95 -3.36 114.58 115.14 1xfd h GLU 171 Ca 0.85 -0.18 -0.48 0.00 -1.00 0.00 0.00 59.36 58.54 1xfd h GLU 171 Cb 2.40 -0.14 -0.33 0.00 0.50 0.00 0.00 28.75 31.18 1xfd h GLU 171 CO -0.64 0.80 -0.92 2.41 -1.00 0.00 0.00 179.01 179.66 1xfd n THR 172 N -4.28 -0.70 0.00 1.13 -1.04 -0.22 -5.05 114.28 104.13 1xfd n THR 172 Ca 0.05 -3.17 0.00 0.00 -2.04 0.00 0.00 64.05 58.88 1xfd n THR 172 Cb 0.22 -1.08 0.00 0.00 -1.82 0.00 0.00 70.33 67.65 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 2.04 0.00 -3.41 8.00 4.13 -0.93 -4.79 115.26 120.29 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 -0.01 -2.75 3.41 -1.04 -1.24 -4.94 114.28 107.72 1xfd n THR 174 Ca 0.00 -4.14 -0.43 0.00 -2.04 0.00 0.00 64.05 57.44 1xfd n THR 174 Cb 0.00 -1.91 -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 -1.00 6.72 1.16 8.00 1.04 -1.25 -3.42 113.70 124.95 1xfd s SER 175 Ca 0.33 -2.14 -0.10 0.00 0.48 0.00 0.00 55.95 54.53 1xfd s SER 175 Cb 0.09 -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 0.40 0.41 0.98 0.00 0.00 173.24 173.74 1xfd n THR 176 N 5.94 0.00 -4.23 2.02 -1.04 -0.81 -4.63 114.28 111.52 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 -0.72 -0.16 0.00 -1.82 0.00 0.00 70.33 68.11 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 -1.62 1.73 -0.26 12.58 1.01 -1.26 -2.57 120.40 130.01 1xfd s VAL 177 Ca 0.29 -0.75 -0.08 0.00 0.00 0.00 0.00 61.98 61.44 1xfd s VAL 177 Cb -0.04 -1.58 -0.15 0.00 0.00 0.00 0.00 36.38 34.60 1xfd s VAL 177 CO 0.23 0.49 -0.23 0.18 0.00 0.00 0.00 175.10 175.76 1xfd n LEU 178 N 4.52 2.41 -4.03 3.92 4.32 0.09 -4.97 117.00 123.27 1xfd n LEU 178 Ca -0.19 0.14 -0.08 0.00 -0.02 0.00 0.00 56.01 55.86 1xfd n LEU 178 Cb 0.50 -0.88 -0.10 0.00 -1.62 0.00 0.00 43.42 41.32 1xfd n LEU 178 CO 0.24 0.72 -0.35 -0.63 -1.22 0.00 0.00 177.39 176.15 1xfd s ILE 179 N -2.51 0.16 0.03 -0.08 -1.09 -0.46 -4.50 121.20 112.75 1xfd s ILE 179 Ca -0.36 -1.33 0.00 0.00 -2.23 0.00 0.00 60.65 56.73 1xfd s ILE 179 Cb 0.12 -0.88 -0.00 0.00 -1.58 0.00 0.00 42.46 40.11 1xfd s ILE 179 CO 0.56 -0.73 0.01 -1.84 -1.23 0.00 0.00 174.94 171.70 1xfd n GLU 180 N 0.86 0.93 -0.05 2.79 0.28 -1.26 0.88 120.64 125.06 1xfd n GLU 180 Ca -0.19 -0.26 0.00 0.00 -0.16 0.00 0.00 57.16 56.55 1xfd n GLU 180 Cb 0.58 0.14 0.00 0.00 1.43 0.00 0.00 31.44 33.59 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 2.16 0.63 0.95 -1.84 0.00 -1.26 -2.16 105.19 103.68 1xfd n GLY 181 Ca -0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 1.64 2.20 0.12 1.61 -0.00 -1.26 -3.87 118.16 118.60 1xfd n LYS 182 Ca 0.00 -1.95 -0.23 0.00 -0.00 0.00 0.00 58.31 56.13 1xfd n LYS 182 Cb 0.07 -1.45 -0.14 0.00 -0.00 0.00 0.00 35.03 33.51 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 4.35 0.55 -0.91 -1.58 1.57 -1.81 -2.76 116.57 115.99 1xfd h LYS 183 Ca 0.00 -0.83 0.08 0.00 -1.87 0.00 0.00 60.65 58.03 1xfd h LYS 183 Cb 0.94 0.29 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 1xfd h LYS 183 CO 0.00 1.39 0.59 0.82 -0.57 0.00 0.00 179.45 181.67 1xfd h ILE 184 N 0.20 1.01 0.13 1.86 2.04 -1.84 -1.74 117.51 119.18 1xfd h ILE 184 Ca -0.21 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1xfd h ILE 184 Cb 2.03 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 1xfd h ILE 184 CO 0.25 0.18 -0.31 -0.08 0.00 0.00 0.00 178.15 178.19 1xfd h GLU 185 N 0.97 -0.46 -4.81 2.37 4.81 -1.67 -1.63 114.58 114.16 1xfd h GLU 185 Ca 0.41 0.03 -0.60 0.00 -0.13 0.00 0.00 59.36 59.07 1xfd h GLU 185 Cb 0.31 0.11 0.11 0.00 0.63 0.00 0.00 28.75 29.91 1xfd h GLU 185 CO -0.17 -0.31 1.67 0.43 -0.73 0.00 0.00 179.01 179.91 1xfd n SER 186 N -4.20 1.50 -3.81 1.04 7.64 -0.67 -4.29 113.62 110.82 1xfd n SER 186 Ca -0.06 -2.55 -0.19 0.00 1.01 0.00 0.00 58.87 57.09 1xfd n SER 186 Cb 0.25 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 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 8.43 -0.08 -3.60 -3.43 7.94 -1.19 -0.23 117.00 124.84 1xfd n LEU 187 Ca 0.47 -0.54 -0.22 0.00 -1.11 0.00 0.00 56.01 54.61 1xfd n LEU 187 Cb 0.41 -0.65 0.00 0.00 0.53 0.00 0.00 43.42 43.71 1xfd n LEU 187 CO 1.14 0.33 -0.22 -1.14 -1.11 0.00 0.00 177.39 176.38 1xfd n ARG 188 N -2.63 -1.34 -1.67 1.96 0.63 -0.62 -4.49 116.66 108.50 1xfd n ARG 188 Ca -0.05 0.66 -0.50 0.00 -0.92 0.00 0.00 57.85 57.03 1xfd n ARG 188 Cb 0.24 -1.88 -0.05 0.00 0.45 0.00 0.00 32.46 31.21 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 -2.24 0.52 -0.05 5.13 0.00 0.68 -4.74 120.51 119.81 1xfd n ALA 189 Ca -0.27 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 1xfd n ALA 189 Cb 0.60 -2.34 0.03 0.00 0.00 0.00 0.00 19.45 17.74 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 4.61 1.29 -3.31 0.00 5.03 -0.17 -3.46 117.51 121.51 1xfd h ILE 190 Ca -0.47 -1.65 -0.39 0.00 -0.12 0.00 0.00 64.86 62.23 1xfd h ILE 190 Cb 1.29 1.56 -0.16 0.00 -3.03 0.00 0.00 36.82 36.48 1xfd h ILE 190 CO 0.91 0.53 -0.74 -0.60 -0.68 0.00 0.00 178.15 177.57 1xfd s ARG 191 N -4.22 1.12 0.02 2.37 3.00 -1.18 -4.99 118.95 115.07 1xfd s ARG 191 Ca -0.09 -1.42 -0.25 0.00 -1.00 0.00 0.00 55.73 52.97 1xfd s ARG 191 Cb 0.11 -0.86 0.06 0.00 0.00 0.00 0.00 34.95 34.26 1xfd s ARG 191 CO 0.86 0.14 0.58 1.52 0.00 0.00 0.00 175.30 178.40 1xfd s TYR 192 N -2.81 -0.52 -0.19 5.12 -0.85 -1.25 -0.21 117.35 116.64 1xfd s TYR 192 Ca 0.16 0.71 -0.08 0.00 -0.52 0.00 0.00 57.07 57.34 1xfd s TYR 192 Cb -0.01 0.38 0.08 0.00 0.38 0.00 0.00 41.96 42.79 1xfd s TYR 192 CO 0.03 -0.64 0.42 -2.00 -1.52 0.00 0.00 175.55 171.85 1xfd s GLU 193 N -2.02 0.36 0.31 -3.49 2.12 0.11 -4.92 118.70 111.17 1xfd s GLU 193 Ca -0.07 0.95 -0.28 0.00 0.36 0.00 0.00 54.97 55.93 1xfd s GLU 193 Cb -0.01 0.20 -0.09 0.00 0.26 0.00 0.00 34.13 34.49 1xfd s GLU 193 CO 0.02 -0.22 1.04 0.96 -0.54 0.00 0.00 175.26 176.53 1xfd s ILE 194 N 2.16 3.71 0.88 -3.70 -5.25 -1.26 0.57 121.20 118.30 1xfd s ILE 194 Ca -0.05 1.58 -0.12 0.00 -0.99 0.00 0.00 60.65 61.07 1xfd s ILE 194 Cb -0.11 -3.95 0.12 0.00 2.95 0.00 0.00 42.46 41.48 1xfd s ILE 194 CO -0.13 0.27 1.10 -0.94 -1.79 0.00 0.00 174.94 173.45 1xfd s SER 195 N -1.18 3.70 0.10 4.36 1.04 -0.09 -4.92 113.70 116.72 1xfd s SER 195 Ca 0.48 1.28 -0.17 0.00 0.48 0.00 0.00 55.95 58.02 1xfd s SER 195 Cb -0.27 -1.96 -0.05 0.00 0.10 0.00 0.00 66.02 63.83 1xfd s SER 195 CO 0.34 -2.47 1.57 1.55 0.98 0.00 0.00 173.24 175.22 1xfd h PRO 196 N -1.43 0.52 -0.07 4.02 0.13 -1.84 -2.14 132.00 131.19 1xfd h PRO 196 Ca -0.50 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 1xfd h PRO 196 Cb 1.29 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1xfd h PRO 196 CO 0.58 0.63 0.00 -0.40 -0.23 0.00 0.00 178.00 178.58 1xfd n ASP 197 N -4.61 0.07 -2.65 1.44 3.85 -0.25 -4.83 116.55 109.58 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 0.22 -0.03 -0.01 0.00 -1.35 0.00 0.00 41.12 39.96 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 -0.43 -2.62 0.00 0.11 1.74 -0.80 -4.79 116.66 109.87 1xfd n ARG 198 Ca 0.00 0.34 0.05 0.00 -0.77 0.00 0.00 57.85 57.47 1xfd n ARG 198 Cb 0.02 -4.92 0.00 0.00 -1.02 0.00 0.00 32.46 26.54 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 -2.85 1.92 -4.10 5.56 1.02 -1.26 -4.73 120.64 116.20 1xfd n GLU 199 Ca -0.07 -0.65 -0.11 0.00 -0.02 0.00 0.00 57.16 56.31 1xfd n GLU 199 Cb 0.56 -1.09 -0.07 0.00 -0.02 0.00 0.00 31.44 30.81 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 -1.30 0.78 0.00 -0.32 1.51 -1.26 -1.04 117.35 115.72 1xfd s TYR 200 Ca 0.09 -1.06 -0.04 0.00 -1.01 0.00 0.00 57.07 55.04 1xfd s TYR 200 Cb 0.08 -0.17 -0.00 0.00 -0.11 0.00 0.00 41.96 41.76 1xfd s TYR 200 CO 0.24 -0.85 0.07 0.00 -1.11 0.00 0.00 175.55 173.90 1xfd s ALA 201 N -4.00 -0.16 -0.30 3.71 0.00 -0.52 -0.91 121.76 119.59 1xfd s ALA 201 Ca 0.30 -0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.01 1xfd s ALA 201 Cb 0.03 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1xfd s ALA 201 CO 0.11 -0.16 0.06 -0.51 0.00 0.00 0.00 175.76 175.27 1xfd s LEU 202 N -1.10 3.88 0.04 0.00 1.43 0.19 -2.79 118.68 120.34 1xfd s LEU 202 Ca -0.12 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.14 1xfd s LEU 202 Cb -0.07 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.27 1xfd s LEU 202 CO 0.00 -0.22 0.03 -0.36 0.23 0.00 0.00 176.35 176.03 1xfd s PHE 203 N 1.44 3.10 -0.02 0.29 0.08 -0.64 0.10 117.98 122.33 1xfd s PHE 203 Ca 0.01 0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.15 1xfd s PHE 203 Cb -0.18 -1.63 -0.00 0.00 -0.57 0.00 0.00 43.02 40.64 1xfd s PHE 203 CO 0.01 0.49 -0.12 -1.54 -0.10 0.00 0.00 175.22 173.97 1xfd s SER 204 N -1.98 1.43 0.20 1.36 1.04 0.71 -1.84 113.70 114.61 1xfd s SER 204 Ca 0.24 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.45 1xfd s SER 204 Cb -0.12 -0.27 -0.05 0.00 0.10 0.00 0.00 66.02 65.69 1xfd s SER 204 CO 0.16 0.12 0.06 -0.72 0.98 0.00 0.00 173.24 173.83 1xfd s TYR 205 N -0.07 1.25 -1.53 5.02 1.13 0.74 0.55 117.35 124.43 1xfd s TYR 205 Ca 0.01 -1.16 -0.13 0.00 -1.41 0.00 0.00 57.07 54.37 1xfd s TYR 205 Cb -0.07 -0.70 0.09 0.00 -1.10 0.00 0.00 41.96 40.18 1xfd s TYR 205 CO 0.00 -0.37 0.96 0.09 -2.51 0.00 0.00 175.55 173.72 1xfd n ASN 206 N -0.29 -4.57 -4.70 -0.18 3.02 -1.26 0.32 115.26 107.60 1xfd n ASN 206 Ca -0.03 -0.79 -0.42 0.00 -0.03 0.00 0.00 54.58 53.30 1xfd n ASN 206 Cb 0.65 -3.83 -0.03 0.00 -0.61 0.00 0.00 39.78 35.96 1xfd n ASN 206 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1xfd s VAL 207 N -3.32 4.40 -0.14 2.41 1.01 -1.26 -4.44 120.40 119.05 1xfd s VAL 207 Ca 0.64 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 64.33 1xfd s VAL 207 Cb -0.32 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 31.95 1xfd s VAL 207 CO 0.84 0.06 -0.12 -1.83 0.00 0.00 0.00 175.10 174.05 1xfd s GLU 208 N 1.62 3.37 -0.02 2.72 -1.05 -1.16 -4.99 118.70 119.19 1xfd s GLU 208 Ca 0.55 -0.68 -0.30 0.00 -0.15 0.00 0.00 54.97 54.39 1xfd s GLU 208 Cb -0.24 -2.68 -0.07 0.00 -0.44 0.00 0.00 34.13 30.70 1xfd s GLU 208 CO 0.25 0.14 1.84 -2.14 0.95 0.00 0.00 175.26 176.30 1xfd s PRO 209 N 0.53 4.10 0.00 -4.83 0.02 -1.26 -4.52 135.00 129.03 1xfd s PRO 209 Ca -0.08 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.31 1xfd s PRO 209 Cb -0.16 -4.09 0.00 0.00 0.02 0.00 0.00 34.50 30.27 1xfd s PRO 209 CO 0.04 -0.98 0.00 -0.89 -0.33 0.00 0.00 177.00 174.84 1xfd n ILE 210 N 5.66 0.00 0.00 2.83 5.41 -1.26 -5.00 119.36 127.00 1xfd n ILE 210 Ca 0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.94 1xfd n ILE 210 Cb 0.42 -0.11 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 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 0.00 0.00 0.00 1.39 4.01 -1.26 -4.96 117.16 116.34 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 -5.13 -0.72 7.27 -1.26 -4.68 117.38 112.86 1xfd n GLN 212 Ca 0.00 0.56 -0.32 0.00 0.07 0.00 0.00 57.00 57.32 1xfd n GLN 212 Cb 0.00 -1.44 -0.15 0.00 2.41 0.00 0.00 30.24 31.05 1xfd n GLN 212 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 1xfd s HIS 213 N -2.77 2.52 -0.36 3.69 -3.43 -1.26 -5.07 115.29 108.62 1xfd s HIS 213 Ca 0.00 -0.54 0.06 0.00 -0.80 0.00 0.00 55.06 53.78 1xfd s HIS 213 Cb 0.00 -1.62 0.18 0.00 -1.43 0.00 0.00 32.58 29.71 1xfd s HIS 213 CO 0.00 -0.10 0.56 0.45 -2.00 0.00 0.00 174.74 173.66 1xfd s SER 214 N -0.31 -1.02 -0.58 7.38 0.15 -1.26 -4.64 113.70 113.43 1xfd s SER 214 Ca 0.01 -0.61 -0.24 0.00 0.70 0.00 0.00 55.95 55.82 1xfd s SER 214 Cb -0.13 1.71 -0.21 0.00 -1.71 0.00 0.00 66.02 65.69 1xfd s SER 214 CO 0.02 -0.23 1.84 -1.22 1.20 0.00 0.00 173.24 174.85 1xfd n TYR 215 N 4.73 1.38 -3.76 3.44 0.53 -1.26 -4.40 117.16 117.82 1xfd n TYR 215 Ca 0.09 -1.48 -0.28 0.00 -1.02 0.00 0.00 57.90 55.20 1xfd n TYR 215 Cb 0.54 -1.46 -0.12 0.00 -1.03 0.00 0.00 39.34 37.27 1xfd n TYR 215 CO 0.00 0.00 0.00 -0.08 -1.02 0.00 0.00 176.86 175.76 1xfd s THR 216 N 5.45 1.98 0.00 -0.72 -1.32 -1.26 -3.32 115.64 116.46 1xfd s THR 216 Ca 0.59 -3.41 0.00 0.00 -1.21 0.00 0.00 61.69 57.66 1xfd s THR 216 Cb 0.14 -2.34 0.00 0.00 -1.51 0.00 0.00 72.50 68.79 1xfd s THR 216 CO 0.17 -1.00 0.00 0.61 -2.21 0.00 0.00 174.62 172.19 1xfd n GLY 217 N 2.68 5.07 3.76 6.08 0.00 -1.12 -2.99 105.19 118.65 1xfd n GLY 217 Ca 0.17 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 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 1.24 3.36 -0.06 1.61 2.02 0.15 -1.52 117.35 124.13 1xfd s TYR 218 Ca 0.00 0.31 0.03 0.00 -0.37 0.00 0.00 57.07 57.04 1xfd s TYR 218 Cb 0.00 -1.90 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 1xfd s TYR 218 CO 0.00 0.53 -0.13 0.71 -1.57 0.00 0.00 175.55 175.09 1xfd s TYR 219 N -0.73 2.74 -0.01 2.71 1.51 -1.26 -0.19 117.35 122.12 1xfd s TYR 219 Ca 0.12 -0.22 0.01 0.00 -1.01 0.00 0.00 57.07 55.97 1xfd s TYR 219 Cb -0.12 -1.67 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1xfd s TYR 219 CO 0.03 0.14 -0.02 0.08 -1.11 0.00 0.00 175.55 174.66 1xfd s VAL 220 N -0.56 0.21 0.11 0.71 1.01 -0.77 -1.31 120.40 119.81 1xfd s VAL 220 Ca 0.08 -0.06 0.04 0.00 0.00 0.00 0.00 61.98 62.04 1xfd s VAL 220 Cb -0.11 -0.22 -0.04 0.00 0.00 0.00 0.00 36.38 36.00 1xfd s VAL 220 CO 0.01 0.09 0.06 -0.76 0.00 0.00 0.00 175.10 174.51 1xfd s LEU 221 N 0.27 3.65 0.06 3.92 1.43 0.13 -1.63 118.68 126.52 1xfd s LEU 221 Ca -0.02 -0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 52.73 1xfd s LEU 221 Cb -0.05 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 43.89 1xfd s LEU 221 CO -0.01 0.14 0.51 -0.55 0.23 0.00 0.00 176.35 176.67 1xfd s SER 222 N -2.60 -0.42 0.37 2.29 0.15 -1.12 -0.42 113.70 111.95 1xfd s SER 222 Ca 0.28 0.10 -0.23 0.00 0.70 0.00 0.00 55.95 56.81 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 0.21 -0.75 0.93 -0.54 1.20 0.00 0.00 173.24 174.28 1xfd s LYS 223 N -2.69 4.37 0.21 5.44 1.02 -1.26 -1.43 119.74 125.39 1xfd s LYS 223 Ca -0.04 1.17 -0.18 0.00 0.02 0.00 0.00 55.97 56.94 1xfd s LYS 223 Cb -0.00 -2.48 0.20 0.00 -0.52 0.00 0.00 37.83 35.02 1xfd s LYS 223 CO -0.04 0.13 1.58 0.97 -0.92 0.00 0.00 175.35 177.07 1xfd h ILE 224 N 2.24 0.12 0.00 2.17 6.09 -1.37 -3.14 117.51 123.62 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 1.18 0.12 0.00 0.00 0.47 0.00 0.00 36.82 38.60 1xfd h ILE 224 CO 0.63 0.00 0.00 -2.65 -3.07 0.00 0.00 178.15 173.06 1xfd n PRO 225 N -5.46 0.00 -3.81 2.19 -0.02 -1.26 -4.58 135.00 122.05 1xfd n PRO 225 Ca 0.07 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1xfd n PRO 225 Cb 0.38 -1.38 0.01 0.00 -0.02 0.00 0.00 33.50 32.48 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 -2.55 -0.00 0.00 6.00 -3.43 -1.19 -4.72 115.29 109.40 1xfd s HIS 226 Ca 0.00 -0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.07 1xfd s HIS 226 Cb 0.00 0.60 0.00 0.00 -1.43 0.00 0.00 32.58 31.75 1xfd s HIS 226 CO 0.00 -0.48 0.00 0.41 -2.00 0.00 0.00 174.74 172.67 1xfd n GLY 227 N -0.67 -2.59 2.93 -1.38 0.00 -1.26 -4.74 105.19 97.48 1xfd n GLY 227 Ca -0.03 -1.30 -0.07 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.36 -7.84 -4.83 1.61 9.92 -1.26 -4.09 116.55 108.70 1xfd n ASP 228 Ca 0.00 0.35 -0.31 0.00 -0.53 0.00 0.00 54.79 54.31 1xfd n ASP 228 Cb 0.00 -5.26 0.05 0.00 -0.64 0.00 0.00 41.12 35.27 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 2.88 -0.12 -0.24 0.04 -1.26 -4.56 135.00 129.01 1xfd s PRO 229 Ca 0.19 0.80 -0.08 0.00 0.04 0.00 0.00 61.00 61.96 1xfd s PRO 229 Cb -0.05 -2.00 0.04 0.00 0.04 0.00 0.00 34.50 32.54 1xfd s PRO 229 CO 0.77 -1.10 0.30 -1.14 0.04 0.00 0.00 177.00 175.87 1xfd s GLN 230 N -5.12 0.29 0.18 4.56 2.00 0.44 -4.92 119.66 117.09 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 -0.02 -0.09 0.00 0.80 0.00 0.00 33.01 33.56 1xfd s GLN 230 CO 0.54 -0.13 1.41 -1.12 -0.50 0.00 0.00 175.29 175.50 1xfd s SER 231 N 1.00 6.76 -0.70 6.67 0.01 -1.26 0.19 113.70 126.37 1xfd s SER 231 Ca -0.07 2.49 -0.15 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 -0.66 0.67 -0.22 0.41 0.00 0.00 173.24 173.37 1xfd s LEU 232 N 0.39 6.38 0.18 2.44 2.96 -0.43 -4.88 118.68 125.71 1xfd s LEU 232 Ca 0.62 -2.23 0.11 0.00 -0.22 0.00 0.00 54.13 52.42 1xfd s LEU 232 Cb -0.39 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1xfd s LEU 232 CO 0.36 -0.74 -0.24 -1.81 -1.32 0.00 0.00 176.35 172.59 1xfd s ASP 233 N 2.89 3.43 1.35 3.68 1.11 -1.26 -4.66 116.67 123.19 1xfd s ASP 233 Ca 0.12 -0.83 -0.21 0.00 0.18 0.00 0.00 52.55 51.81 1xfd s ASP 233 Cb -0.19 -0.26 0.34 0.00 1.07 0.00 0.00 42.92 43.89 1xfd s ASP 233 CO -0.03 0.14 0.98 -2.16 1.18 0.00 0.00 175.17 175.27 1xfd s PRO 234 N -2.52 -2.34 0.05 8.23 0.04 -1.26 -4.90 135.00 132.29 1xfd s PRO 234 Ca 0.19 0.16 -0.31 0.00 0.04 0.00 0.00 61.00 61.09 1xfd s PRO 234 Cb -0.08 -1.44 -0.06 0.00 0.04 0.00 0.00 34.50 32.96 1xfd s PRO 234 CO 0.09 -4.50 1.23 -1.25 0.04 0.00 0.00 177.00 172.61 1xfd s PRO 235 N -5.08 4.41 0.00 0.56 0.04 -1.26 -3.32 135.00 130.34 1xfd s PRO 235 Ca 0.69 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.52 1xfd s PRO 235 Cb -0.14 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1xfd s PRO 235 CO 0.58 -0.31 0.00 0.39 0.04 0.00 0.00 177.00 177.70 1xfd n GLU 236 N 4.15 0.00 -3.95 4.56 -0.58 -1.26 -5.01 120.64 118.56 1xfd n GLU 236 Ca 0.10 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.48 1xfd n GLU 236 Cb 0.46 -1.96 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 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 -2.92 5.32 0.00 2.62 1.01 -1.21 -5.11 120.40 120.12 1xfd s VAL 237 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1xfd s VAL 237 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.02 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 1.69 -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 -0.16 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 -0.08 0.59 -4.21 -3.46 2.85 -1.26 -4.80 115.26 104.90 1xfd n ASN 239 Ca 0.00 -1.14 -0.23 0.00 -0.11 0.00 0.00 54.58 53.09 1xfd n ASN 239 Cb 0.00 -1.25 -0.14 0.00 1.24 0.00 0.00 39.78 39.64 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 9.37 1.52 0.55 5.20 0.00 -1.26 -5.13 121.76 132.01 1xfd s ALA 240 Ca 1.08 -0.96 -0.21 0.00 0.00 0.00 0.00 51.96 51.87 1xfd s ALA 240 Cb -0.40 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.39 1xfd s ALA 240 CO 0.26 0.33 1.26 0.15 0.00 0.00 0.00 175.76 177.76 1xfd s LYS 241 N -1.13 3.20 0.09 0.00 1.02 -1.26 -4.82 119.74 116.83 1xfd s LYS 241 Ca 0.05 2.00 0.08 0.00 0.02 0.00 0.00 55.97 58.12 1xfd s LYS 241 Cb -0.08 -2.17 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1xfd s LYS 241 CO 0.01 -1.07 -0.19 -0.51 -0.92 0.00 0.00 175.35 172.67 1xfd s LEU 242 N -3.62 2.60 0.40 3.17 1.43 -0.58 -4.91 118.68 117.17 1xfd s LEU 242 Ca 0.72 -0.53 0.22 0.00 -1.03 0.00 0.00 54.13 53.52 1xfd s LEU 242 Cb -0.35 -1.49 0.28 0.00 0.03 0.00 0.00 46.19 44.66 1xfd s LEU 242 CO 0.40 0.21 1.53 1.56 0.23 0.00 0.00 176.35 180.28 1xfd h GLN 243 N 4.10 0.00 -1.29 1.70 4.20 -1.06 -2.97 115.11 119.79 1xfd h GLN 243 Ca -0.49 0.00 0.19 0.00 0.06 0.00 0.00 58.65 58.41 1xfd h GLN 243 Cb 1.16 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 28.70 1xfd h GLN 243 CO 0.46 0.04 0.79 -0.47 -0.67 0.00 0.00 178.83 178.98 1xfd s TYR 244 N -3.20 -0.16 0.00 2.96 6.14 -1.21 -4.08 117.35 117.79 1xfd s TYR 244 Ca 0.06 0.26 0.00 0.00 0.64 0.00 0.00 57.07 58.03 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 0.69 -0.17 0.00 0.00 0.64 0.00 0.00 175.55 176.71 1xfd n ALA 245 N 0.50 0.55 -1.40 3.97 0.00 -1.26 -0.95 120.51 121.91 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 3.54 -4.33 3.87 0.00 0.00 -1.26 -4.17 105.19 102.85 1xfd n GLY 246 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.75 3.48 0.07 1.61 0.52 -1.26 -3.22 118.94 116.38 1xfd s TRP 247 Ca 0.00 1.13 -0.01 0.00 0.02 0.00 0.00 56.10 57.24 1xfd s TRP 247 Cb 0.00 -2.52 0.02 0.00 -1.15 0.00 0.00 33.47 29.82 1xfd s TRP 247 CO 0.00 -0.19 0.10 0.41 0.02 0.00 0.00 176.95 177.29 1xfd n GLY 248 N -1.45 -0.82 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 -6.21 1.61 0.11 -1.89 -3.43 132.00 122.17 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 0.10 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.12 1xfd h PRO 249 CO 0.03 0.81 -0.63 0.15 -0.21 0.00 0.00 178.00 178.14 1xfd s LYS 250 N -2.58 2.36 6.81 1.05 1.02 -1.26 -4.71 119.74 122.43 1xfd s LYS 250 Ca -0.17 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.46 1xfd s LYS 250 Cb -0.02 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 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 -0.88 2.39 1.09 -3.33 0.00 -1.26 -2.90 105.19 100.30 1xfd n GLY 251 Ca -0.07 0.14 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 5.47 0.00 -1.77 1.61 10.64 -1.26 -1.09 117.38 130.98 1xfd n GLN 252 Ca 0.00 -1.26 -0.34 0.00 -1.83 0.00 0.00 57.00 53.57 1xfd n GLN 252 Cb 0.00 0.19 0.05 0.00 -0.86 0.00 0.00 30.24 29.62 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 2.74 0.08 2.61 -2.07 -1.01 -4.43 119.66 117.58 1xfd s GLN 253 Ca 0.12 1.53 -0.26 0.00 -1.82 0.00 0.00 55.36 54.93 1xfd s GLN 253 Cb 0.14 -1.93 0.09 0.00 -1.09 0.00 0.00 33.01 30.21 1xfd s GLN 253 CO -0.06 -1.32 0.75 -0.48 -1.32 0.00 0.00 175.29 172.86 1xfd s LEU 254 N -4.73 -0.46 0.17 2.60 0.05 0.12 0.07 118.68 116.51 1xfd s LEU 254 Ca 0.70 -0.02 0.03 0.00 0.05 0.00 0.00 54.13 54.89 1xfd s LEU 254 Cb -0.23 2.31 -0.05 0.00 -2.05 0.00 0.00 46.19 46.17 1xfd s LEU 254 CO 0.40 -0.80 -0.03 0.27 -0.55 0.00 0.00 176.35 175.64 1xfd s ILE 255 N -3.43 0.84 -0.09 1.48 -4.36 -1.20 -1.21 121.20 113.24 1xfd s ILE 255 Ca 0.03 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.25 1xfd s ILE 255 Cb -0.01 -2.07 0.04 0.00 1.25 0.00 0.00 42.46 41.67 1xfd s ILE 255 CO -0.10 -0.53 0.43 0.72 0.24 0.00 0.00 174.94 175.69 1xfd s PHE 256 N -3.54 -0.40 -0.18 1.37 -0.12 -0.81 -4.13 117.98 110.17 1xfd s PHE 256 Ca 0.22 0.82 -0.04 0.00 -0.05 0.00 0.00 56.93 57.88 1xfd s PHE 256 Cb 0.05 0.18 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 1xfd s PHE 256 CO 0.03 -0.35 -0.02 0.42 -0.05 0.00 0.00 175.22 175.26 1xfd s ILE 257 N -0.59 3.93 -0.06 -4.49 1.01 -0.13 -1.48 121.20 119.39 1xfd s ILE 257 Ca -0.07 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1xfd s ILE 257 Cb -0.03 -2.76 0.01 0.00 0.01 0.00 0.00 42.46 39.69 1xfd s ILE 257 CO 0.03 0.46 -0.13 0.12 0.00 0.00 0.00 174.94 175.42 1xfd s PHE 258 N 0.73 1.47 -1.45 3.97 5.36 -0.83 -0.54 117.98 126.70 1xfd s PHE 258 Ca -0.01 -0.53 -0.05 0.00 -0.96 0.00 0.00 56.93 55.38 1xfd s PHE 258 Cb -0.14 -1.07 0.01 0.00 -0.34 0.00 0.00 43.02 41.47 1xfd s PHE 258 CO 0.02 -0.27 0.09 -0.85 -1.46 0.00 0.00 175.22 172.76 1xfd n GLU 259 N 3.75 -0.84 -3.01 10.12 0.28 -1.26 -0.89 120.64 128.79 1xfd n GLU 259 Ca -0.22 0.08 -0.22 0.00 -0.16 0.00 0.00 57.16 56.64 1xfd n GLU 259 Cb 0.52 -3.28 0.02 0.00 1.43 0.00 0.00 31.44 30.13 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 -2.66 -5.42 -4.20 -1.84 3.02 -1.26 -4.21 115.26 98.68 1xfd n ASN 260 Ca -0.29 -0.25 -0.23 0.00 -0.03 0.00 0.00 54.58 53.78 1xfd n ASN 260 Cb 0.65 -4.42 -0.14 0.00 -0.61 0.00 0.00 39.78 35.27 1xfd n ASN 260 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1xfd s ASN 261 N -2.60 2.07 -0.24 6.41 0.01 -0.07 -3.10 114.94 117.42 1xfd s ASN 261 Ca 0.28 -0.50 -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 0.00 177.10 175.60 1xfd s ILE 262 N -0.84 5.33 0.02 0.60 1.01 -1.01 -1.96 121.20 124.35 1xfd s ILE 262 Ca 0.04 0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.99 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 0.32 -0.04 -0.31 0.00 0.00 0.00 174.94 174.92 1xfd s TYR 263 N 1.16 2.94 -0.01 3.97 1.51 -0.55 -0.57 117.35 125.80 1xfd s TYR 263 Ca 0.09 -0.01 0.05 0.00 -1.01 0.00 0.00 57.07 56.19 1xfd s TYR 263 Cb -0.14 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.09 1xfd s TYR 263 CO 0.05 0.41 -0.16 -0.47 -1.11 0.00 0.00 175.55 174.27 1xfd s TYR 264 N -1.07 1.44 -0.15 2.71 5.04 0.71 -1.92 117.35 124.11 1xfd s TYR 264 Ca 0.19 -0.28 -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 0.10 -0.01 0.05 0.00 -1.34 0.00 0.00 175.55 174.34 1xfd h ALA 266 N 8.33 -0.14 -2.68 0.00 0.00 -1.88 0.38 119.26 123.27 1xfd h ALA 266 Ca -0.16 -0.22 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 1xfd h ALA 266 Cb 1.13 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.93 1xfd h ALA 266 CO 0.29 -0.17 -0.27 -1.58 0.00 0.00 0.00 179.25 177.52 1xfd s HIS 267 N -2.64 3.52 0.28 0.00 5.65 -1.26 -2.39 115.29 118.45 1xfd s HIS 267 Ca -0.10 0.69 -0.02 0.00 0.25 0.00 0.00 55.06 55.88 1xfd s HIS 267 Cb -0.00 -2.10 0.44 0.00 -1.18 0.00 0.00 32.58 29.73 1xfd s HIS 267 CO 0.37 0.46 1.92 0.28 -0.65 0.00 0.00 174.74 177.13 1xfd h VAL 268 N 2.44 1.14 0.00 0.89 2.07 -1.88 -2.34 116.25 118.57 1xfd h VAL 268 Ca -0.48 -0.39 -0.15 0.00 0.82 0.00 0.00 66.70 66.50 1xfd h VAL 268 Cb 1.18 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1xfd h VAL 268 CO 0.69 0.21 -0.71 1.23 0.02 0.00 0.00 177.57 179.02 1xfd h GLY 269 N 1.14 0.00 -3.62 2.17 0.00 -1.97 -3.46 103.07 97.34 1xfd h GLY 269 Ca 0.37 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 47.11 1xfd h GLY 269 CO -0.12 0.00 -0.20 1.17 0.00 0.00 0.00 176.54 177.39 1xfd n LYS 270 N -3.45 0.79 -3.21 4.80 3.00 -0.88 -4.95 118.16 114.26 1xfd n LYS 270 Ca 0.00 0.29 -0.35 0.00 -0.00 0.00 0.00 58.31 58.25 1xfd n LYS 270 Cb 0.75 -1.75 -0.06 0.00 0.00 0.00 0.00 35.03 33.98 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 -1.90 4.09 0.67 1.64 -2.07 -1.26 -4.88 119.66 115.95 1xfd s GLN 271 Ca 0.65 0.67 -0.17 0.00 -1.82 0.00 0.00 55.36 54.69 1xfd s GLN 271 Cb -0.54 -2.80 0.00 0.00 -1.09 0.00 0.00 33.01 28.58 1xfd s GLN 271 CO 0.56 0.37 1.29 0.00 -1.32 0.00 0.00 175.29 176.19 1xfd s ALA 272 N -1.61 2.30 -0.05 2.60 0.00 -1.26 -4.78 121.76 118.96 1xfd s ALA 272 Ca 0.44 1.18 0.03 0.00 0.00 0.00 0.00 51.96 53.60 1xfd s ALA 272 Cb -0.15 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.43 1xfd s ALA 272 CO 0.20 -1.70 -0.12 0.42 0.00 0.00 0.00 175.76 174.55 1xfd s ILE 273 N -1.48 1.10 -1.00 0.00 -1.09 -0.45 -4.83 121.20 113.45 1xfd s ILE 273 Ca 0.82 -0.49 -0.23 0.00 -2.23 0.00 0.00 60.65 58.51 1xfd s ILE 273 Cb -0.37 -0.99 0.04 0.00 -1.58 0.00 0.00 42.46 39.57 1xfd s ILE 273 CO 0.41 0.34 1.47 -0.60 -1.23 0.00 0.00 174.94 175.33 1xfd s ARG 274 N 0.46 3.52 0.23 2.79 3.52 -1.26 -0.21 118.95 128.00 1xfd s ARG 274 Ca -0.10 -1.04 -0.06 0.00 -0.13 0.00 0.00 55.73 54.40 1xfd s ARG 274 Cb -0.14 -5.30 0.22 0.00 -1.56 0.00 0.00 34.95 28.18 1xfd s ARG 274 CO 0.03 -2.26 1.80 0.28 -0.81 0.00 0.00 175.30 174.34 1xfd h VAL 275 N 6.79 1.25 -3.77 7.11 2.07 -1.18 -3.42 116.25 125.10 1xfd h VAL 275 Ca 0.17 -0.79 -0.47 0.00 0.82 0.00 0.00 66.70 66.43 1xfd h VAL 275 Cb 1.01 0.33 -0.31 0.00 -1.52 0.00 0.00 31.29 30.80 1xfd h VAL 275 CO 1.41 0.32 -0.80 0.54 0.02 0.00 0.00 177.57 179.06 1xfd s VAL 276 N -5.53 0.98 -0.04 2.57 0.11 -1.07 -5.00 120.40 112.43 1xfd s VAL 276 Ca -0.12 -0.46 0.06 0.00 -2.93 0.00 0.00 61.98 58.53 1xfd s VAL 276 Cb 0.16 -0.87 0.09 0.00 -1.53 0.00 0.00 36.38 34.22 1xfd s VAL 276 CO 0.83 0.30 0.95 -1.54 -3.33 0.00 0.00 175.10 172.31 1xfd n SER 277 N 3.35 1.01 -0.29 3.54 3.41 -1.26 -2.40 113.62 120.98 1xfd n SER 277 Ca -0.19 -2.14 0.02 0.00 -0.26 0.00 0.00 58.87 56.31 1xfd n SER 277 Cb 0.53 -0.20 0.06 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 -0.50 0.21 -2.30 6.66 -2.24 -1.26 -4.91 114.28 109.93 1xfd n THR 278 Ca 0.05 -0.19 -0.39 0.00 -2.27 0.00 0.00 64.05 61.25 1xfd n THR 278 Cb 0.58 0.06 -0.02 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 -0.95 2.93 -0.23 3.38 0.00 -1.18 -4.86 107.32 106.40 1xfd s GLY 279 Ca 0.09 1.00 -0.04 0.00 0.00 0.00 0.00 44.72 45.78 1xfd s GLY 279 CO 0.06 1.56 0.16 1.25 0.00 0.00 0.00 173.10 176.12 1xfd s LYS 280 N -2.05 0.16 -0.28 2.90 2.20 -0.76 -4.86 119.74 117.05 1xfd s LYS 280 Ca 0.53 -0.16 -0.28 0.00 -0.36 0.00 0.00 55.97 55.70 1xfd s LYS 280 Cb -0.32 -1.35 -0.12 0.00 -1.51 0.00 0.00 37.83 34.53 1xfd s LYS 280 CO 0.41 -0.82 0.93 0.39 -0.36 0.00 0.00 175.35 175.91 1xfd n GLU 281 N 5.28 0.00 -0.52 4.03 -0.58 -1.26 -0.17 120.64 127.42 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 -0.90 0.00 0.00 -0.57 0.00 0.00 31.44 30.44 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 2.27 0.85 0.64 0.62 0.00 -1.26 -4.68 105.19 103.63 1xfd n GLY 282 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -4.02 1.61 0.31 0.76 -4.64 118.33 110.34 1xfd n VAL 283 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 1xfd n VAL 283 Cb 0.00 -0.83 -0.15 0.00 -0.91 0.00 0.00 33.84 31.96 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 -1.88 2.30 -0.15 2.52 -1.09 0.45 -0.54 121.20 122.81 1xfd s ILE 284 Ca 0.00 -2.10 -0.06 0.00 -2.23 0.00 0.00 60.65 56.25 1xfd s ILE 284 Cb 0.00 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 1xfd s ILE 284 CO 0.00 -0.42 0.07 -0.31 -1.23 0.00 0.00 174.94 173.05 1xfd s TYR 285 N 0.98 3.33 -0.08 3.97 1.51 0.01 -1.83 117.35 125.23 1xfd s TYR 285 Ca 0.04 0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.30 1xfd s TYR 285 Cb -0.19 -1.99 0.05 0.00 -0.11 0.00 0.00 41.96 39.71 1xfd s TYR 285 CO -0.07 0.37 0.16 0.54 -1.11 0.00 0.00 175.55 175.45 1xfd s ASN 286 N -0.23 0.68 0.00 2.29 6.03 -1.26 0.16 114.94 122.60 1xfd s ASN 286 Ca 0.08 0.34 0.00 0.00 -1.03 0.00 0.00 52.86 52.25 1xfd s ASN 286 Cb -0.12 0.28 0.00 0.00 -3.03 0.00 0.00 41.25 38.38 1xfd s ASN 286 CO 0.01 -0.24 0.00 0.61 -2.03 0.00 0.00 177.10 175.45 1xfd n GLY 287 N 5.25 2.85 3.16 0.45 0.00 -0.57 -4.64 105.19 111.69 1xfd n GLY 287 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.50 118.68 122.43 1xfd s LEU 288 Ca 0.00 -0.79 -0.11 0.00 -1.03 0.00 0.00 54.13 52.20 1xfd s LEU 288 Cb 0.00 -0.29 0.01 0.00 0.03 0.00 0.00 46.19 45.94 1xfd s LEU 288 CO 0.00 -0.26 1.07 -0.44 0.23 0.00 0.00 176.35 176.96 1xfd s SER 289 N -2.35 5.37 0.54 2.29 0.01 0.93 -4.75 113.70 115.73 1xfd s SER 289 Ca 0.04 1.35 0.06 0.00 1.31 0.00 0.00 55.95 58.71 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 -0.00 -1.42 0.72 -0.90 0.41 0.00 0.00 173.24 172.06 1xfd n ASP 290 N -3.08 1.61 0.04 2.44 5.75 -1.26 -4.82 116.55 117.23 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 -0.41 -0.04 0.00 -1.03 0.00 0.00 41.12 40.19 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 -0.09 -0.69 -0.84 2.11 7.01 -1.99 -1.83 115.95 119.64 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 1.05 0.29 -0.12 0.00 -2.10 0.00 0.00 29.16 28.29 1xfd h TRP 291 CO 0.00 -0.26 0.33 1.25 -2.79 0.00 0.00 178.44 176.96 1xfd h LEU 292 N -0.33 0.25 -1.16 0.65 5.85 -1.96 0.08 115.31 118.69 1xfd h LEU 292 Ca -0.00 0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 1xfd h LEU 292 Cb 0.33 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1xfd h LEU 292 CO -0.14 0.02 -0.25 1.88 -0.34 0.00 0.00 178.44 179.61 1xfd h TYR 293 N 0.39 0.29 0.04 1.25 -1.99 -1.87 -0.17 116.97 114.91 1xfd h TYR 293 Ca 0.50 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 61.10 1xfd h TYR 293 Cb 0.90 -0.08 0.01 0.00 2.00 0.00 0.00 36.73 39.56 1xfd h TYR 293 CO -0.17 0.51 -0.31 1.49 -0.00 0.00 0.00 178.16 179.67 1xfd h GLU 294 N 0.24 0.14 0.10 4.88 4.81 -0.25 0.75 114.58 125.25 1xfd h GLU 294 Ca 0.04 -0.21 -0.28 0.00 -0.13 0.00 0.00 59.36 58.78 1xfd h GLU 294 Cb 0.58 0.07 0.02 0.00 0.63 0.00 0.00 28.75 30.05 1xfd h GLU 294 CO 0.04 1.04 -1.19 1.49 -0.73 0.00 0.00 179.01 179.66 1xfd h GLU 295 N -0.66 0.52 0.00 1.92 4.57 -1.08 -2.79 114.58 117.06 1xfd h GLU 295 Ca -0.05 -0.69 -0.10 0.00 -1.18 0.00 0.00 59.36 57.34 1xfd h GLU 295 Cb 1.19 0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 1xfd h GLU 295 CO 0.06 1.30 -1.13 -1.91 -1.18 0.00 0.00 179.01 176.15 1xfd n GLU 296 N -3.73 0.17 0.01 1.92 4.07 -0.13 -4.73 120.64 118.21 1xfd n GLU 296 Ca -0.11 0.07 -0.15 0.00 -0.06 0.00 0.00 57.16 56.91 1xfd n GLU 296 Cb 0.97 -0.79 -0.14 0.00 -0.06 0.00 0.00 31.44 31.42 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 -0.30 0.83 0.00 6.31 -0.00 -1.50 -3.41 117.51 119.44 1xfd h ILE 297 Ca -0.15 -2.59 -0.12 0.00 -0.00 0.00 0.00 64.86 61.99 1xfd h ILE 297 Cb 0.93 2.52 -0.02 0.00 -0.00 0.00 0.00 36.82 40.25 1xfd h ILE 297 CO -0.09 0.71 -1.91 0.18 -0.00 0.00 0.00 178.15 177.04 1xfd n LEU 298 N -3.29 0.00 -1.82 0.16 4.77 0.26 -4.81 117.00 112.27 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 -2.31 -1.33 -3.57 3.23 4.76 -1.04 -4.97 118.16 112.92 1xfd n LYS 299 Ca -0.13 0.89 -0.13 0.00 -2.87 0.00 0.00 58.31 56.08 1xfd n LYS 299 Cb 0.69 -5.30 -0.05 0.00 -1.84 0.00 0.00 35.03 28.54 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 -1.18 -5.00 115.64 108.39 1xfd s THR 300 Ca 0.00 -0.31 0.17 0.00 0.31 0.00 0.00 61.69 61.86 1xfd s THR 300 Cb 0.00 -1.02 -0.12 0.00 0.01 0.00 0.00 72.50 71.36 1xfd s THR 300 CO 0.00 -0.17 0.84 0.00 -0.69 0.00 0.00 174.62 174.60 1xfd n HIS 301 N 0.14 0.98 -2.63 4.92 1.44 -1.26 -4.05 115.22 114.77 1xfd n HIS 301 Ca -0.18 0.32 -0.42 0.00 -2.01 0.00 0.00 57.72 55.43 1xfd n HIS 301 Cb 0.62 -1.08 -0.03 0.00 0.12 0.00 0.00 29.99 29.62 1xfd n HIS 301 CO 0.00 0.00 0.00 -1.50 -2.81 0.00 0.00 176.34 172.03 1xfd s ILE 302 N -2.96 4.64 -0.35 0.61 -1.16 -1.26 -0.05 121.20 120.67 1xfd s ILE 302 Ca -0.03 1.91 0.14 0.00 -0.51 0.00 0.00 60.65 62.17 1xfd s ILE 302 Cb 0.09 -4.23 0.45 0.00 0.61 0.00 0.00 42.46 39.38 1xfd s ILE 302 CO 0.81 0.03 1.03 0.00 -2.81 0.00 0.00 174.94 173.99 1xfd n ALA 303 N 4.87 3.88 -2.71 1.50 0.00 0.34 -4.78 120.51 123.61 1xfd n ALA 303 Ca 0.09 -3.46 -0.09 0.00 0.00 0.00 0.00 53.44 49.97 1xfd n ALA 303 Cb 0.48 -0.78 -0.09 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.34 0.21 -0.12 0.00 -3.43 -1.23 -0.74 115.29 106.64 1xfd s HIS 304 Ca 0.34 -0.52 -0.05 0.00 -0.80 0.00 0.00 55.06 54.04 1xfd s HIS 304 Cb 0.42 -0.15 0.06 0.00 -1.43 0.00 0.00 32.58 31.48 1xfd s HIS 304 CO -0.03 -0.36 0.25 -1.58 -2.00 0.00 0.00 174.74 171.01 1xfd s TRP 305 N -2.62 -0.37 0.33 0.38 0.51 0.25 -4.95 118.94 112.47 1xfd s TRP 305 Ca -0.05 0.87 -0.26 0.00 -2.12 0.00 0.00 56.10 54.55 1xfd s TRP 305 Cb -0.01 -0.00 -0.10 0.00 -0.81 0.00 0.00 33.47 32.55 1xfd s TRP 305 CO -0.05 -0.29 0.94 -1.58 -0.51 0.00 0.00 176.95 175.46 1xfd s TRP 306 N 1.86 3.66 0.76 -1.98 0.52 -1.26 -0.59 118.94 121.90 1xfd s TRP 306 Ca -0.04 1.77 -0.12 0.00 0.02 0.00 0.00 56.10 57.73 1xfd s TRP 306 Cb -0.11 -2.92 0.05 0.00 -1.15 0.00 0.00 33.47 29.34 1xfd s TRP 306 CO -0.08 0.18 1.11 -1.54 0.02 0.00 0.00 176.95 176.63 1xfd s SER 307 N -1.67 4.45 0.37 2.95 1.04 -0.02 -4.86 113.70 115.96 1xfd s SER 307 Ca 0.51 1.93 0.07 0.00 0.48 0.00 0.00 55.95 58.94 1xfd s SER 307 Cb -0.18 -2.54 0.79 0.00 0.10 0.00 0.00 66.02 64.20 1xfd s SER 307 CO 0.23 -2.07 1.94 -0.65 0.98 0.00 0.00 173.24 173.66 1xfd h PRO 308 N -0.91 0.69 -0.32 4.02 0.11 -1.90 -1.80 132.00 131.88 1xfd h PRO 308 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1xfd h PRO 308 Cb 1.24 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1xfd h PRO 308 CO 0.51 0.45 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 1xfd n ASP 309 N -4.49 1.93 -2.40 -2.05 3.85 -1.26 -4.81 116.55 107.33 1xfd n ASP 309 Ca 0.12 -1.93 -0.19 0.00 -0.71 0.00 0.00 54.79 52.09 1xfd n ASP 309 Cb 0.30 -0.21 -0.01 0.00 -1.35 0.00 0.00 41.12 39.85 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 1.11 -0.46 0.09 6.12 0.00 -0.68 -4.84 105.19 106.52 1xfd n GLY 310 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.84 1.17 -4.64 2.61 -1.04 -1.26 -4.83 114.28 102.44 1xfd n THR 311 Ca -0.22 -0.67 -0.27 0.00 -2.04 0.00 0.00 64.05 60.85 1xfd n THR 311 Cb 0.67 -0.68 -0.14 0.00 -1.82 0.00 0.00 70.33 68.36 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 -2.41 1.47 -0.12 -2.82 0.52 -1.26 0.44 118.95 114.77 1xfd s ARG 312 Ca -0.12 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.04 1xfd s ARG 312 Cb 0.05 -1.67 0.02 0.00 0.52 0.00 0.00 34.95 33.87 1xfd s ARG 312 CO 0.65 0.42 -0.16 -1.17 0.02 0.00 0.00 175.30 175.07 1xfd s LEU 313 N -1.40 1.75 -0.07 2.53 2.96 -0.45 -0.84 118.68 123.16 1xfd s LEU 313 Ca 0.09 -0.46 -0.05 0.00 -0.22 0.00 0.00 54.13 53.50 1xfd s LEU 313 Cb -0.09 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 1xfd s LEU 313 CO 0.03 0.00 0.16 0.00 -1.32 0.00 0.00 176.35 175.22 1xfd s ALA 314 N 1.10 3.91 -0.15 5.97 0.00 0.25 -1.77 121.76 131.06 1xfd s ALA 314 Ca -0.04 -0.70 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 1xfd s ALA 314 Cb -0.14 -1.92 0.05 0.00 0.00 0.00 0.00 23.12 21.10 1xfd s ALA 314 CO -0.04 0.68 0.48 1.52 0.00 0.00 0.00 175.76 178.40 1xfd s TYR 315 N -1.17 -0.50 0.33 0.00 1.13 -0.31 0.85 117.35 117.68 1xfd s TYR 315 Ca 0.21 1.17 -0.21 0.00 -1.41 0.00 0.00 57.07 56.83 1xfd s TYR 315 Cb -0.12 0.19 -0.10 0.00 -1.10 0.00 0.00 41.96 40.83 1xfd s TYR 315 CO 0.11 -0.30 0.85 0.00 -2.51 0.00 0.00 175.55 173.70 1xfd s ALA 316 N -0.04 3.23 -0.26 9.51 0.00 0.08 -1.71 121.76 132.57 1xfd s ALA 316 Ca -0.02 0.31 0.02 0.00 0.00 0.00 0.00 51.96 52.26 1xfd s ALA 316 Cb -0.03 -3.00 0.07 0.00 0.00 0.00 0.00 23.12 20.15 1xfd s ALA 316 CO 0.02 0.23 -0.05 0.00 0.00 0.00 0.00 175.76 175.96 1xfd s ALA 317 N -1.82 2.21 -0.19 0.00 0.00 -0.15 -1.51 121.76 120.30 1xfd s ALA 317 Ca 0.53 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.78 1xfd s ALA 317 Cb -0.14 -1.54 -0.05 0.00 0.00 0.00 0.00 23.12 21.39 1xfd s ALA 317 CO 0.19 -1.27 0.11 0.42 0.00 0.00 0.00 175.76 175.21 1xfd s ILE 318 N 1.27 5.18 -0.32 0.00 1.01 0.41 -1.84 121.20 126.90 1xfd s ILE 318 Ca -0.04 0.11 -0.04 0.00 0.00 0.00 0.00 60.65 60.67 1xfd s ILE 318 Cb -0.19 -3.35 0.04 0.00 0.01 0.00 0.00 42.46 38.97 1xfd s ILE 318 CO -0.07 0.45 0.06 0.21 0.00 0.00 0.00 174.94 175.59 1xfd s ASN 319 N 0.38 5.14 0.00 3.58 3.84 0.11 -0.81 114.94 127.18 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 -1.80 0.48 0.00 -0.55 0.00 0.00 41.25 39.27 1xfd s ASN 319 CO -0.01 -0.30 1.44 0.47 -2.79 0.00 0.00 177.10 175.90 1xfd n ASP 320 N 4.73 3.42 -0.33 -4.21 8.00 0.30 -1.05 116.55 127.41 1xfd n ASP 320 Ca -0.13 -1.98 0.16 0.00 0.71 0.00 0.00 54.79 53.55 1xfd n ASP 320 Cb 0.44 -0.28 0.32 0.00 -0.02 0.00 0.00 41.12 41.57 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 4.29 -0.32 -0.69 -2.24 0.87 -1.92 0.22 113.55 113.76 1xfd h SER 321 Ca 0.00 0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1xfd h SER 321 Cb 0.95 0.42 0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1xfd h SER 321 CO 0.00 -0.33 0.00 0.54 -0.53 0.00 0.00 176.83 176.51 1xfd n ARG 322 N -5.42 3.53 -3.23 2.24 1.74 -1.26 -4.93 116.66 109.32 1xfd n ARG 322 Ca 0.24 -2.87 -0.39 0.00 -0.77 0.00 0.00 57.85 54.07 1xfd n ARG 322 Cb 0.79 -1.83 -0.06 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.64 4.75 0.73 1.55 1.01 0.77 -4.68 120.40 122.89 1xfd s VAL 323 Ca 0.52 1.26 -0.16 0.00 0.00 0.00 0.00 61.98 63.61 1xfd s VAL 323 Cb 0.32 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1xfd s VAL 323 CO 0.28 0.52 0.97 -2.65 0.00 0.00 0.00 175.10 174.21 1xfd n PRO 324 N 1.94 0.47 -4.00 2.72 -0.02 -1.26 -4.84 135.00 130.00 1xfd n PRO 324 Ca -0.09 0.22 -0.34 0.00 -2.02 0.00 0.00 63.50 61.26 1xfd n PRO 324 Cb 0.51 -2.23 -0.15 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.85 2.99 0.03 4.25 2.07 -1.26 -2.54 121.20 124.89 1xfd s ILE 325 Ca 0.73 -0.62 -0.22 0.00 -1.41 0.00 0.00 60.65 59.13 1xfd s ILE 325 Cb -0.34 -2.34 -0.06 0.00 0.13 0.00 0.00 42.46 39.86 1xfd s ILE 325 CO 0.51 0.46 0.65 -0.32 -1.91 0.00 0.00 174.94 174.32 1xfd s MET 326 N 1.38 4.36 -0.20 3.50 -2.45 0.15 -4.86 119.30 121.18 1xfd s MET 326 Ca 0.05 0.84 -0.11 0.00 -1.25 0.00 0.00 55.69 55.23 1xfd s MET 326 Cb -0.14 -3.33 -0.05 0.00 1.25 0.00 0.00 34.83 32.56 1xfd s MET 326 CO -0.06 0.40 0.16 -1.21 1.05 0.00 0.00 175.02 175.36 1xfd s GLU 327 N -0.35 4.18 -0.22 4.11 2.02 -1.26 -2.11 118.70 125.07 1xfd s GLU 327 Ca 0.33 -0.17 -0.09 0.00 0.02 0.00 0.00 54.97 55.06 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 0.25 0.11 -0.51 0.02 0.00 0.00 175.26 175.33 1xfd s LEU 328 N 0.49 3.89 0.32 1.80 1.02 0.53 -4.90 118.68 121.83 1xfd s LEU 328 Ca 0.09 0.04 -0.29 0.00 0.02 0.00 0.00 54.13 54.00 1xfd s LEU 328 Cb -0.12 -2.03 -0.10 0.00 0.02 0.00 0.00 46.19 43.97 1xfd s LEU 328 CO -0.00 0.08 1.31 -2.16 0.02 0.00 0.00 176.35 175.60 1xfd s PRO 329 N 0.94 4.36 -0.00 1.29 0.04 -1.26 -0.57 135.00 139.79 1xfd s PRO 329 Ca 0.06 2.21 0.05 0.00 0.04 0.00 0.00 61.00 63.36 1xfd s PRO 329 Cb -0.13 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1xfd s PRO 329 CO 0.03 -0.20 -0.17 0.99 0.04 0.00 0.00 177.00 177.69 1xfd s THR 330 N -0.99 1.37 -0.00 1.26 2.01 -1.26 -4.65 115.64 113.38 1xfd s THR 330 Ca 0.50 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.70 1xfd s THR 330 Cb -0.40 -1.15 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1xfd s THR 330 CO 0.51 0.33 0.65 -1.22 -0.69 0.00 0.00 174.62 174.20 1xfd n TYR 331 N 2.50 0.00 0.00 4.92 4.02 -1.26 -4.46 117.16 122.87 1xfd n TYR 331 Ca -0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 57.65 1xfd n TYR 331 Cb 0.54 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.84 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 0.50 -0.29 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 1.56 -0.73 0.75 3.41 0.00 -1.26 -4.87 105.19 104.04 1xfd n GLY 333 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.06 -0.10 1.61 3.41 -1.26 -4.95 113.62 112.26 1xfd n SER 334 Ca 0.00 -1.06 -0.08 0.00 -0.26 0.00 0.00 58.87 57.46 1xfd n SER 334 Cb 0.00 -0.20 0.07 0.00 -0.26 0.00 0.00 64.21 63.83 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 -1.19 1.27 -3.54 -1.33 5.03 -2.00 -3.32 117.51 112.44 1xfd h ILE 335 Ca -0.08 -1.33 -0.71 0.00 -0.12 0.00 0.00 64.86 62.62 1xfd h ILE 335 Cb 0.23 1.17 -0.34 0.00 -3.03 0.00 0.00 36.82 34.85 1xfd h ILE 335 CO 0.06 0.45 -0.24 -0.31 -0.68 0.00 0.00 178.15 177.42 1xfd s TYR 336 N -4.64 3.55 0.72 1.37 1.51 -1.26 -5.08 117.35 113.52 1xfd s TYR 336 Ca -0.10 -2.71 -0.16 0.00 -1.01 0.00 0.00 57.07 53.10 1xfd s TYR 336 Cb 0.13 -3.28 0.03 0.00 -0.11 0.00 0.00 41.96 38.73 1xfd s TYR 336 CO 0.84 -0.83 1.25 -1.25 -1.11 0.00 0.00 175.55 174.45 1xfd s PRO 337 N -0.35 2.12 0.15 -1.71 0.04 -1.25 -5.03 135.00 128.97 1xfd s PRO 337 Ca 0.20 1.91 0.04 0.00 0.04 0.00 0.00 61.00 63.18 1xfd s PRO 337 Cb -0.16 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1xfd s PRO 337 CO -0.06 -1.88 -0.08 -0.08 0.04 0.00 0.00 177.00 174.94 1xfd s THR 338 N -1.77 1.03 0.57 1.26 -1.32 -1.26 -4.95 115.64 109.21 1xfd s THR 338 Ca 0.78 -2.03 -0.15 0.00 -1.21 0.00 0.00 61.69 59.08 1xfd s THR 338 Cb -0.33 -1.89 -0.05 0.00 -1.51 0.00 0.00 72.50 68.73 1xfd s THR 338 CO 0.45 -0.71 1.02 0.68 -2.21 0.00 0.00 174.62 173.85 1xfd s VAL 339 N -3.42 4.28 -0.31 5.08 -7.23 -1.26 -3.98 120.40 113.56 1xfd s VAL 339 Ca 0.17 0.99 -0.06 0.00 -1.81 0.00 0.00 61.98 61.28 1xfd s VAL 339 Cb 0.04 -3.60 0.03 0.00 0.56 0.00 0.00 36.38 33.40 1xfd s VAL 339 CO 0.01 -0.72 0.07 -0.54 -0.31 0.00 0.00 175.10 173.60 1xfd s LYS 340 N -4.35 2.80 0.35 4.82 -0.14 0.27 -4.88 119.74 118.60 1xfd s LYS 340 Ca 0.60 -1.05 -0.07 0.00 -1.36 0.00 0.00 55.97 54.09 1xfd s LYS 340 Cb -0.12 -3.34 -0.06 0.00 -1.68 0.00 0.00 37.83 32.63 1xfd s LYS 340 CO 0.39 -0.55 0.66 -1.25 -0.76 0.00 0.00 175.35 173.84 1xfd s PRO 341 N 1.41 3.69 -0.24 -1.68 0.04 -1.26 -0.35 135.00 136.61 1xfd s PRO 341 Ca -0.00 0.21 -0.30 0.00 0.04 0.00 0.00 61.00 60.95 1xfd s PRO 341 Cb -0.18 -2.53 0.17 0.00 0.04 0.00 0.00 34.50 32.00 1xfd s PRO 341 CO 0.01 0.09 1.24 1.52 0.04 0.00 0.00 177.00 179.91 1xfd s TYR 342 N -2.23 -0.14 -0.15 0.56 -0.85 -0.90 -4.97 117.35 108.67 1xfd s TYR 342 Ca 0.47 0.23 -0.29 0.00 -0.52 0.00 0.00 57.07 56.96 1xfd s TYR 342 Cb -0.10 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 42.70 1xfd s TYR 342 CO 0.31 -0.14 1.20 -1.01 -1.52 0.00 0.00 175.55 174.39 1xfd s HIS 343 N -1.17 3.04 -0.10 -3.49 3.76 -1.26 -0.68 115.29 115.39 1xfd s HIS 343 Ca 0.06 1.16 -0.03 0.00 -0.15 0.00 0.00 55.06 56.10 1xfd s HIS 343 Cb -0.01 -3.43 0.05 0.00 1.11 0.00 0.00 32.58 30.30 1xfd s HIS 343 CO -0.05 -1.33 0.11 -0.47 -0.85 0.00 0.00 174.74 172.15 1xfd s TYR 344 N 3.09 -0.00 -0.51 1.40 6.14 -1.05 -4.65 117.35 121.76 1xfd s TYR 344 Ca 0.53 0.21 -0.22 0.00 0.64 0.00 0.00 57.07 58.23 1xfd s TYR 344 Cb -0.21 -0.46 0.04 0.00 0.42 0.00 0.00 41.96 41.75 1xfd s TYR 344 CO 0.15 -0.33 0.76 -1.25 0.64 0.00 0.00 175.55 175.52 1xfd s PRO 345 N 2.21 3.25 0.94 4.97 0.04 -1.26 -4.60 135.00 140.55 1xfd s PRO 345 Ca 0.04 -0.50 -0.12 0.00 0.04 0.00 0.00 61.00 60.46 1xfd s PRO 345 Cb -0.13 -4.04 0.15 0.00 0.04 0.00 0.00 34.50 30.52 1xfd s PRO 345 CO -0.06 -1.27 1.09 0.15 0.04 0.00 0.00 177.00 176.95 1xfd s LYS 346 N 3.21 0.92 0.20 4.56 3.01 -1.26 0.11 119.74 130.49 1xfd s LYS 346 Ca 0.23 0.69 -0.33 0.00 -1.01 0.00 0.00 55.97 55.55 1xfd s LYS 346 Cb -0.15 -1.78 -0.14 0.00 -1.01 0.00 0.00 37.83 34.75 1xfd s LYS 346 CO 0.17 -2.44 1.52 0.00 0.51 0.00 0.00 175.35 175.11 1xfd n ALA 347 N -4.00 1.33 0.00 5.17 0.00 -0.31 -1.95 120.51 120.76 1xfd n ALA 347 Ca 0.06 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.93 1xfd n ALA 347 Cb 0.56 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 2.90 3.22 3.85 0.00 0.00 -1.26 -4.88 105.19 109.03 1xfd n GLY 348 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.85 2.25 0.15 1.61 1.04 -0.82 -4.72 113.70 112.35 1xfd s SER 349 Ca 0.00 0.23 -0.30 0.00 0.48 0.00 0.00 55.95 56.35 1xfd s SER 349 Cb 0.00 -0.20 -0.07 0.00 0.10 0.00 0.00 66.02 65.84 1xfd s SER 349 CO 0.00 -3.27 1.10 -1.61 0.98 0.00 0.00 173.24 170.45 1xfd s GLU 350 N -5.86 4.57 0.48 4.02 2.02 -1.26 -4.93 118.70 117.73 1xfd s GLU 350 Ca 0.76 1.70 -0.02 0.00 0.02 0.00 0.00 54.97 57.43 1xfd s GLU 350 Cb -0.03 -3.30 -0.01 0.00 0.10 0.00 0.00 34.13 30.89 1xfd s GLU 350 CO 0.54 0.03 0.73 -0.80 0.02 0.00 0.00 175.26 175.78 1xfd s ASN 351 N 0.11 5.89 0.32 -0.19 0.02 -1.26 -4.42 114.94 115.41 1xfd s ASN 351 Ca 0.51 0.52 -0.29 0.00 -1.02 0.00 0.00 52.86 52.57 1xfd s ASN 351 Cb -0.29 -1.75 -0.11 0.00 0.02 0.00 0.00 41.25 39.13 1xfd s ASN 351 CO 0.34 -0.73 1.42 -2.16 0.02 0.00 0.00 177.10 175.99 1xfd s PRO 352 N -4.67 4.23 -0.20 -0.60 0.04 -1.26 -4.76 135.00 127.78 1xfd s PRO 352 Ca 0.49 2.39 -0.18 0.00 0.04 0.00 0.00 61.00 63.73 1xfd s PRO 352 Cb -0.10 -3.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 1xfd s PRO 352 CO 0.41 -0.40 0.50 0.45 0.04 0.00 0.00 177.00 178.00 1xfd s SER 353 N -0.08 6.54 0.18 6.66 0.15 -0.21 -4.88 113.70 122.06 1xfd s SER 353 Ca 0.54 0.65 0.09 0.00 0.70 0.00 0.00 55.95 57.93 1xfd s SER 353 Cb -0.43 -2.29 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 1xfd s SER 353 CO 0.53 -0.17 -0.09 -0.51 1.20 0.00 0.00 173.24 174.20 1xfd s ILE 354 N 1.62 3.18 -0.08 6.45 2.07 -1.26 0.10 121.20 133.28 1xfd s ILE 354 Ca 0.23 -1.68 -0.12 0.00 -1.41 0.00 0.00 60.65 57.68 1xfd s ILE 354 Cb -0.15 -2.58 0.03 0.00 0.13 0.00 0.00 42.46 39.88 1xfd s ILE 354 CO 0.09 -0.12 0.30 -0.94 -1.91 0.00 0.00 174.94 172.37 1xfd s SER 355 N -2.86 -0.27 -0.19 4.50 1.04 -0.77 -5.00 113.70 110.15 1xfd s SER 355 Ca 0.25 0.43 -0.09 0.00 0.48 0.00 0.00 55.95 57.02 1xfd s SER 355 Cb -0.09 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 1xfd s SER 355 CO 0.15 -0.22 0.11 -0.22 0.98 0.00 0.00 173.24 174.04 1xfd s LEU 356 N -0.35 4.11 0.18 2.42 2.96 -1.26 -0.98 118.68 125.76 1xfd s LEU 356 Ca -0.05 0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.14 1xfd s LEU 356 Cb -0.03 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 1xfd s LEU 356 CO 0.02 0.18 -0.17 -1.00 -1.32 0.00 0.00 176.35 174.06 1xfd s HIS 357 N 0.32 1.76 -0.01 5.38 3.76 -0.69 -0.56 115.29 125.25 1xfd s HIS 357 Ca 0.07 -0.51 0.00 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 32.73 1xfd s HIS 357 CO -0.01 0.34 0.01 0.08 -0.85 0.00 0.00 174.74 174.30 1xfd s VAL 358 N -2.38 -0.01 0.13 -0.90 1.01 0.38 -1.16 120.40 117.48 1xfd s VAL 358 Ca 0.18 0.08 0.05 0.00 0.00 0.00 0.00 61.98 62.29 1xfd s VAL 358 Cb -0.04 -0.05 -0.04 0.00 0.00 0.00 0.00 36.38 36.25 1xfd s VAL 358 CO 0.07 0.04 -0.12 0.27 0.00 0.00 0.00 175.10 175.36 1xfd s ILE 359 N 0.42 1.24 0.17 2.22 -5.25 -0.73 -0.72 121.20 118.55 1xfd s ILE 359 Ca -0.03 -1.88 -0.20 0.00 -0.99 0.00 0.00 60.65 57.55 1xfd s ILE 359 Cb -0.05 -1.67 -0.08 0.00 2.95 0.00 0.00 42.46 43.61 1xfd s ILE 359 CO -0.01 -0.58 0.68 -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 -1.34 107.32 110.84 1xfd s GLY 360 Ca 0.12 0.13 0.22 0.00 0.00 0.00 0.00 44.72 45.20 1xfd s GLY 360 CO 0.02 0.52 1.44 1.04 0.00 0.00 0.00 173.10 176.11 1xfd n LEU 361 N 1.06 3.18 -3.69 0.66 4.77 0.17 -4.39 117.00 118.75 1xfd n LEU 361 Ca -0.05 -1.40 -0.12 0.00 -0.03 0.00 0.00 56.01 54.41 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 0.70 -0.08 0.54 -1.33 0.00 0.00 177.39 177.66 1xfd s ASN 362 N -1.42 -0.10 0.00 -1.43 4.22 -1.26 -5.01 114.94 109.94 1xfd s ASN 362 Ca 0.38 0.67 0.00 0.00 -2.14 0.00 0.00 52.86 51.78 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 0.30 -0.20 0.00 0.61 -2.04 0.00 0.00 177.10 175.77 1xfd n GLY 363 N 4.75 0.54 0.28 0.45 0.00 -1.26 -4.54 105.19 105.40 1xfd n GLY 363 Ca -0.17 -1.92 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 0.82 0.02 -2.85 1.61 -0.02 -1.26 -4.83 135.00 128.49 1xfd n PRO 364 Ca 0.00 0.73 -0.08 0.00 -2.02 0.00 0.00 63.50 62.13 1xfd n PRO 364 Cb 0.00 -1.94 0.01 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.15-11.14 -2.59 3.45 -2.24 -1.26 -4.93 114.28 93.42 1xfd n THR 365 Ca 0.03 0.96 -0.43 0.00 -2.27 0.00 0.00 64.05 62.34 1xfd n THR 365 Cb 0.83 -7.26 -0.02 0.00 -2.10 0.00 0.00 70.33 61.78 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 -2.53 3.10 -0.10 4.78 3.76 -1.26 -4.62 115.29 118.41 1xfd s HIS 366 Ca 0.23 1.19 -0.26 0.00 -0.15 0.00 0.00 55.06 56.08 1xfd s HIS 366 Cb -0.06 -3.62 -0.02 0.00 1.11 0.00 0.00 32.58 29.98 1xfd s HIS 366 CO 0.77 -0.93 0.83 0.34 -0.85 0.00 0.00 174.74 174.90 1xfd s ASP 367 N 1.75 7.06 0.01 1.40 -1.08 -1.26 -4.15 116.67 120.40 1xfd s ASP 367 Ca 0.48 1.29 0.06 0.00 -0.52 0.00 0.00 52.55 53.86 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 -0.29 -0.18 -0.76 0.52 0.00 0.00 175.17 174.61 1xfd s LEU 368 N 1.50 2.08 -0.05 -1.34 1.02 0.10 -4.95 118.68 117.04 1xfd s LEU 368 Ca 0.41 -0.38 -0.13 0.00 0.02 0.00 0.00 54.13 54.05 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 0.17 0.18 0.35 -0.70 0.02 0.00 0.00 176.35 176.38 1xfd s GLU 369 N -0.67 3.91 -0.50 1.70 2.12 -1.26 -0.47 118.70 123.53 1xfd s GLU 369 Ca 0.06 0.27 -0.25 0.00 0.36 0.00 0.00 54.97 55.42 1xfd s GLU 369 Cb -0.07 -3.26 0.03 0.00 0.26 0.00 0.00 34.13 31.09 1xfd s GLU 369 CO 0.00 0.61 0.92 -1.64 -0.54 0.00 0.00 175.26 174.61 1xfd s MET 370 N -0.73 3.43 0.23 4.30 -1.94 0.27 -4.62 119.30 120.25 1xfd s MET 370 Ca 0.21 -0.04 -0.30 0.00 -1.71 0.00 0.00 55.69 53.85 1xfd s MET 370 Cb -0.15 -3.98 -0.10 0.00 2.01 0.00 0.00 34.83 32.61 1xfd s MET 370 CO 0.10 -1.32 1.42 -1.64 -0.01 0.00 0.00 175.02 173.57 1xfd s MET 371 N 3.79 4.29 0.77 2.03 -1.94 -0.37 -4.57 119.30 123.30 1xfd s MET 371 Ca 0.34 2.26 -0.12 0.00 -1.71 0.00 0.00 55.69 56.45 1xfd s MET 371 Cb -0.11 -3.13 0.05 0.00 2.01 0.00 0.00 34.83 33.65 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 -0.22 2.30 0.00 2.03 0.04 -1.26 -4.04 135.00 133.85 1xfd s PRO 372 Ca 0.59 0.40 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1xfd s PRO 372 Cb -0.41 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.17 1xfd s PRO 372 CO 0.41 -1.42 0.00 -0.35 0.04 0.00 0.00 177.00 175.69 1xfd n PRO 373 N -3.25 1.85 0.00 0.56 -0.04 -1.26 -4.97 135.00 127.88 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 0.51 -0.65 3.54 9.92 -1.26 -5.07 116.55 123.55 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 0.05 -0.02 0.00 -0.64 0.00 0.00 41.12 40.51 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 -0.71 0.10 0.19 -2.24 10.43 -1.26 -4.49 116.55 118.57 1xfd n ASP 375 Ca 0.00 0.09 0.04 0.00 2.57 0.00 0.00 54.79 57.48 1xfd n ASP 375 Cb 0.05 -0.14 0.19 0.00 1.84 0.00 0.00 41.12 43.06 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 1.45 0.00 -1.18 -0.24 0.11 -2.04 0.60 132.00 130.69 1xfd h PRO 376 Ca -0.01 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.80 1xfd h PRO 376 Cb 0.21 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 31.16 1xfd h PRO 376 CO 0.17 0.00 0.38 2.89 -0.21 0.00 0.00 178.00 181.23 1xfd n ARG 377 N -2.01 1.72 -2.69 1.05 1.85 -1.26 -3.85 116.66 111.47 1xfd n ARG 377 Ca -0.00 -1.59 -0.07 0.00 -1.00 0.00 0.00 57.85 55.18 1xfd n ARG 377 Cb 0.59 -1.62 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 -0.12 1.21 0.02 2.89 2.81 0.21 -4.75 117.12 119.39 1xfd n MET 378 Ca 0.31 -2.03 0.00 0.00 -1.81 0.00 0.00 57.70 54.18 1xfd n MET 378 Cb 0.91 -0.22 -0.09 0.00 -0.71 0.00 0.00 33.22 33.11 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 -0.59 0.63 -4.06 0.03 5.12 -1.25 -4.71 116.66 111.84 1xfd n ARG 379 Ca -0.02 0.18 -0.31 0.00 -1.93 0.00 0.00 57.85 55.76 1xfd n ARG 379 Cb 0.85 -1.77 -0.16 0.00 -1.16 0.00 0.00 32.46 30.22 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 -2.93 2.54 0.22 5.56 2.02 -1.26 -5.08 118.70 119.76 1xfd s GLU 380 Ca -0.04 -0.70 -0.06 0.00 0.02 0.00 0.00 54.97 54.19 1xfd s GLU 380 Cb 0.09 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 1xfd s GLU 380 CO 0.82 -0.25 0.27 1.52 0.02 0.00 0.00 175.26 177.64 1xfd s TYR 381 N 1.40 0.83 0.09 1.61 1.13 -1.26 -0.04 117.35 121.10 1xfd s TYR 381 Ca 0.04 -1.11 0.09 0.00 -1.41 0.00 0.00 57.07 54.68 1xfd s TYR 381 Cb -0.13 -0.25 -0.03 0.00 -1.10 0.00 0.00 41.96 40.44 1xfd s TYR 381 CO -0.11 -0.78 -0.23 0.71 -2.51 0.00 0.00 175.55 172.63 1xfd s TYR 382 N -4.10 1.99 -0.40 -3.49 2.02 0.62 -4.76 117.35 109.23 1xfd s TYR 382 Ca 0.32 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.48 1xfd s TYR 382 Cb 0.04 -1.12 0.02 0.00 -0.40 0.00 0.00 41.96 40.50 1xfd s TYR 382 CO 0.10 0.20 0.27 0.42 -1.57 0.00 0.00 175.55 174.98 1xfd s ILE 383 N -1.00 5.09 -1.85 2.71 1.01 -1.26 -0.94 121.20 124.96 1xfd s ILE 383 Ca 0.09 -0.69 0.23 0.00 0.00 0.00 0.00 60.65 60.29 1xfd s ILE 383 Cb -0.10 -3.83 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1xfd s ILE 383 CO 0.04 -0.28 1.16 0.35 0.00 0.00 0.00 174.94 176.21 1xfd n THR 384 N 5.12 0.00 -3.64 2.92 -2.24 -0.88 -4.87 114.28 110.68 1xfd n THR 384 Ca -0.11 -0.20 -0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1xfd n THR 384 Cb 0.47 1.05 -0.07 0.00 -2.10 0.00 0.00 70.33 69.68 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 -2.55 0.54 -0.10 -0.78 -2.45 -1.24 -4.10 119.30 108.61 1xfd s MET 385 Ca 0.18 0.89 -0.05 0.00 -1.25 0.00 0.00 55.69 55.46 1xfd s MET 385 Cb 0.18 0.13 0.05 0.00 1.25 0.00 0.00 34.83 36.44 1xfd s MET 385 CO 0.60 -0.11 0.24 0.54 1.05 0.00 0.00 175.02 177.34 1xfd s VAL 386 N 1.31 -0.06 -0.04 10.11 0.11 -1.25 -0.26 120.40 130.33 1xfd s VAL 386 Ca -0.08 0.16 -0.17 0.00 -2.93 0.00 0.00 61.98 58.96 1xfd s VAL 386 Cb -0.04 -0.38 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1xfd s VAL 386 CO -0.15 0.06 0.37 -0.75 -3.33 0.00 0.00 175.10 171.30 1xfd s LYS 387 N 1.31 0.69 -0.08 1.54 2.20 0.15 -4.98 119.74 120.57 1xfd s LYS 387 Ca -0.09 -0.03 -0.27 0.00 -0.36 0.00 0.00 55.97 55.22 1xfd s LYS 387 Cb -0.11 0.31 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 1xfd s LYS 387 CO -0.08 -0.18 0.89 -1.58 -0.36 0.00 0.00 175.35 174.04 1xfd s TRP 388 N -1.09 3.55 -0.01 4.03 0.52 -1.26 0.13 118.94 124.80 1xfd s TRP 388 Ca -0.11 1.47 -0.04 0.00 0.02 0.00 0.00 56.10 57.43 1xfd s TRP 388 Cb -0.04 -3.05 -0.28 0.00 -1.15 0.00 0.00 33.47 28.95 1xfd s TRP 388 CO 0.04 -0.10 0.80 0.00 0.02 0.00 0.00 176.95 177.71 1xfd h ALA 389 N 7.00 0.26 -2.83 0.98 0.00 -1.51 -3.46 119.26 119.70 1xfd h ALA 389 Ca -0.35 -1.13 0.00 0.00 0.00 0.00 0.00 54.91 53.42 1xfd h ALA 389 Cb 1.17 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1xfd h ALA 389 CO 0.80 1.13 0.00 0.25 0.00 0.00 0.00 179.25 181.43 1xfd n THR 390 N -3.47 0.00 1.31 0.00 -2.24 -0.96 -4.37 114.28 104.54 1xfd n THR 390 Ca -0.19 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1xfd n THR 390 Cb 1.05 0.00 0.43 0.00 -2.10 0.00 0.00 70.33 69.71 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 -1.20 1.72 0.00 3.42 7.64 -1.26 -4.03 113.62 119.91 1xfd n SER 391 Ca 0.00 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.25 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 0.34 0.00 -4.83 0.44 5.66 -1.26 -4.86 114.28 109.77 1xfd n THR 392 Ca 0.18 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.86 1xfd n THR 392 Cb 0.37 -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 2.33 -0.05 1.09 1.02 -1.26 0.14 119.74 121.36 1xfd s LYS 393 Ca 0.00 -0.81 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 0.95 0.02 3.17 0.11 -0.57 -1.23 120.40 122.04 1xfd s VAL 394 Ca 0.13 -0.40 -0.21 0.00 -2.93 0.00 0.00 61.98 58.57 1xfd s VAL 394 Cb -0.11 -0.87 -0.06 0.00 -1.53 0.00 0.00 36.38 33.82 1xfd s VAL 394 CO 0.02 0.30 0.62 0.00 -3.33 0.00 0.00 175.10 172.71 1xfd s ALA 395 N 0.51 3.49 -0.01 1.54 0.00 0.36 -1.17 121.76 126.47 1xfd s ALA 395 Ca -0.10 0.07 0.01 0.00 0.00 0.00 0.00 51.96 51.95 1xfd s ALA 395 Cb -0.13 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.23 1xfd s ALA 395 CO 0.02 0.20 -0.04 0.08 0.00 0.00 0.00 175.76 176.02 1xfd s VAL 396 N -0.36 0.36 -0.20 0.00 1.01 0.91 -0.67 120.40 121.45 1xfd s VAL 396 Ca 0.32 -0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.10 1xfd s VAL 396 Cb -0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1xfd s VAL 396 CO 0.18 0.12 -0.03 -0.89 0.00 0.00 0.00 175.10 174.49 1xfd s THR 397 N 0.14 3.70 -0.27 3.92 2.01 0.65 0.41 115.64 126.19 1xfd s THR 397 Ca -0.01 -0.40 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 1xfd s THR 397 Cb -0.05 -2.66 0.00 0.00 0.01 0.00 0.00 72.50 69.80 1xfd s THR 397 CO -0.00 0.44 0.05 0.26 -0.69 0.00 0.00 174.62 174.67 1xfd s TRP 398 N 1.04 3.10 -0.13 4.92 0.52 -0.33 -2.08 118.94 125.98 1xfd s TRP 398 Ca 0.01 -0.93 -0.02 0.00 0.02 0.00 0.00 56.10 55.19 1xfd s TRP 398 Cb -0.15 -2.21 -0.02 0.00 -1.15 0.00 0.00 33.47 29.94 1xfd s TRP 398 CO 0.01 -0.55 -0.08 -1.17 0.02 0.00 0.00 176.95 175.18 1xfd s LEU 399 N 1.50 3.01 0.46 2.99 2.96 -0.12 -1.13 118.68 128.36 1xfd s LEU 399 Ca 0.04 -0.20 -0.20 0.00 -0.22 0.00 0.00 54.13 53.55 1xfd s LEU 399 Cb -0.16 -1.69 -0.10 0.00 0.50 0.00 0.00 46.19 44.74 1xfd s LEU 399 CO 0.01 0.19 0.98 0.54 -1.32 0.00 0.00 176.35 176.75 1xfd s ASN 400 N 0.19 6.73 0.32 3.68 4.22 -1.07 0.23 114.94 129.24 1xfd s ASN 400 Ca -0.05 1.71 0.08 0.00 -2.14 0.00 0.00 52.86 52.47 1xfd s ASN 400 Cb -0.14 -2.54 0.94 0.00 1.28 0.00 0.00 41.25 40.79 1xfd s ASN 400 CO 0.04 -0.51 1.59 -0.09 -2.04 0.00 0.00 177.10 176.09 1xfd h ARG 401 N 1.59 0.06 0.00 3.55 9.65 -0.76 1.69 114.38 130.17 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 0.04 0.00 0.00 2.80 0.00 0.00 179.97 183.42 1xfd n ALA 402 N -2.75 1.45 -3.72 2.80 0.00 -1.26 -4.84 120.51 112.19 1xfd n ALA 402 Ca 0.28 0.13 -0.26 0.00 0.00 0.00 0.00 53.44 53.58 1xfd n ALA 402 Cb 0.92 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 19.06 1xfd n ALA 402 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xfd n GLN 403 N -2.26 -7.02 0.00 0.00 6.02 0.58 -4.78 117.38 109.91 1xfd n GLN 403 Ca 0.01 0.74 0.00 0.00 -0.01 0.00 0.00 57.00 57.74 1xfd n GLN 403 Cb 0.17 -5.73 0.00 0.00 1.02 0.00 0.00 30.24 25.69 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 0.99 -3.73 1.08 6.94 -1.26 -1.05 115.26 115.27 1xfd n ASN 404 Ca 0.02 -1.26 -0.14 0.00 -0.02 0.00 0.00 54.58 53.17 1xfd n ASN 404 Cb 0.55 0.00 -0.15 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 -0.26 -0.10 0.07 3.53 1.01 -1.26 -2.08 120.40 121.31 1xfd s VAL 405 Ca 0.00 0.22 0.07 0.00 0.00 0.00 0.00 61.98 62.27 1xfd s VAL 405 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 1xfd s VAL 405 CO 0.00 0.09 -0.20 -0.55 0.00 0.00 0.00 175.10 174.44 1xfd s SER 406 N 1.43 2.42 -0.16 3.32 0.15 0.13 -2.59 113.70 118.40 1xfd s SER 406 Ca -0.06 -0.60 -0.04 0.00 0.70 0.00 0.00 55.95 55.94 1xfd s SER 406 Cb -0.12 -0.16 0.06 0.00 -1.71 0.00 0.00 66.02 64.09 1xfd s SER 406 CO -0.06 0.10 0.08 -0.63 1.20 0.00 0.00 173.24 173.93 1xfd s ILE 407 N -0.99 -0.00 0.35 6.45 1.01 -0.28 -1.38 121.20 126.36 1xfd s ILE 407 Ca 0.06 -0.17 -0.26 0.00 0.00 0.00 0.00 60.65 60.28 1xfd s ILE 407 Cb -0.09 -0.61 -0.09 0.00 0.01 0.00 0.00 42.46 41.68 1xfd s ILE 407 CO 0.03 -0.23 1.01 -0.22 0.00 0.00 0.00 174.94 175.53 1xfd s LEU 408 N 2.10 4.28 -0.08 2.97 0.20 -0.70 -1.19 118.68 126.27 1xfd s LEU 408 Ca 0.02 1.99 -0.14 0.00 0.69 0.00 0.00 54.13 56.69 1xfd s LEU 408 Cb -0.16 -4.03 0.03 0.00 -0.43 0.00 0.00 46.19 41.60 1xfd s LEU 408 CO -0.08 -0.26 0.34 -0.89 -0.29 0.00 0.00 176.35 175.17 1xfd s THR 409 N -1.57 0.02 -0.23 3.68 2.01 0.17 -2.14 115.64 117.57 1xfd s THR 409 Ca 0.53 -0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 1xfd s THR 409 Cb -0.22 -0.56 0.00 0.00 0.01 0.00 0.00 72.50 71.74 1xfd s THR 409 CO 0.28 -0.10 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.30 1xfd s LEU 410 N -0.44 3.01 0.13 4.42 1.43 -0.80 -0.06 118.68 126.37 1xfd s LEU 410 Ca -0.06 -0.53 0.07 0.00 -1.03 0.00 0.00 54.13 52.58 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 -0.06 -0.04 0.00 0.23 0.00 0.00 176.35 176.51 1xfd s ASP 412 N -2.53 6.25 0.00 0.00 -1.08 -0.89 -1.52 116.67 116.90 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 -0.10 -2.28 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 1xfd s ASP 412 CO 0.17 -0.77 0.08 0.00 0.52 0.00 0.00 175.17 175.16 1xfd n ALA 413 N 6.07 1.29 -0.09 3.66 0.00 0.12 -0.08 120.51 131.48 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 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.52 0.00 -0.06 0.00 -2.24 -1.26 -4.85 114.28 105.35 1xfd n THR 414 Ca 0.00 -0.19 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 1xfd n THR 414 Cb 0.00 1.09 -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 -0.33 0.69 -0.06 4.28 -1.04 0.88 -5.01 114.28 113.69 1xfd n THR 415 Ca 0.00 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1xfd n THR 415 Cb 0.02 -1.59 0.00 0.00 -1.82 0.00 0.00 70.33 66.95 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 2.29 0.45 3.65 3.41 0.00 0.10 -4.99 105.19 110.10 1xfd n GLY 416 Ca -0.24 0.00 -0.42 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 -2.14 4.86 -0.11 1.61 1.01 -1.26 -1.24 120.40 123.13 1xfd s VAL 417 Ca 0.00 1.55 -0.04 0.00 0.00 0.00 0.00 61.98 63.48 1xfd s VAL 417 Cb 0.00 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1xfd s VAL 417 CO 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 175.10 175.12 1xfd s THR 419 N -0.82 2.49 0.35 0.00 2.01 0.15 -4.91 115.64 114.91 1xfd s THR 419 Ca 0.13 -0.89 -0.29 0.00 0.31 0.00 0.00 61.69 60.95 1xfd s THR 419 Cb -0.12 -1.97 -0.11 0.00 0.01 0.00 0.00 72.50 70.31 1xfd s THR 419 CO 0.03 0.56 1.50 1.17 -0.69 0.00 0.00 174.62 177.18 1xfd n LYS 420 N 3.12 2.62 0.00 4.92 4.81 -1.26 -1.91 118.16 130.45 1xfd n LYS 420 Ca -0.18 0.92 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 1xfd n LYS 420 Cb 0.52 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.92 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 0.94 1.79 0.00 1.64 3.00 -0.91 -4.87 118.16 119.75 1xfd n LYS 421 Ca 0.04 -0.15 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1xfd n LYS 421 Cb 0.38 -0.56 0.00 0.00 0.00 0.00 0.00 35.03 34.85 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 -0.30 0.00 -3.59 5.64 -0.00 -1.24 -4.84 115.22 110.89 1xfd n HIS 422 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 1xfd n HIS 422 Cb 0.05 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 29.98 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 0.66 0.10 1.57 -1.05 -1.26 -1.72 118.70 115.00 1xfd s GLU 423 Ca 0.00 0.34 0.05 0.00 -0.15 0.00 0.00 54.97 55.21 1xfd s GLU 423 Cb 0.00 0.31 -0.03 0.00 -0.44 0.00 0.00 34.13 33.97 1xfd s GLU 423 CO 0.00 -0.17 -0.12 -0.51 0.95 0.00 0.00 175.26 175.41 1xfd s ASP 424 N -0.66 1.64 -0.00 0.83 1.11 -0.48 -4.98 116.67 114.12 1xfd s ASP 424 Ca -0.02 -0.75 -0.11 0.00 0.18 0.00 0.00 52.55 51.86 1xfd s ASP 424 Cb -0.02 -0.03 0.01 0.00 1.07 0.00 0.00 42.92 43.95 1xfd s ASP 424 CO 0.01 -0.18 0.21 -1.83 1.18 0.00 0.00 175.17 174.56 1xfd s GLU 425 N -2.44 0.57 0.14 8.23 -1.05 -1.26 0.21 118.70 123.09 1xfd s GLU 425 Ca 0.04 -0.30 0.01 0.00 -0.15 0.00 0.00 54.97 54.57 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 0.01 -0.15 -0.02 0.45 0.95 0.00 0.00 175.26 176.51 1xfd s SER 426 N -1.35 1.08 -0.06 0.83 0.15 -0.88 -5.00 113.70 108.46 1xfd s SER 426 Ca -0.14 -1.11 -0.24 0.00 0.70 0.00 0.00 55.95 55.15 1xfd s SER 426 Cb -0.07 0.13 -0.25 0.00 -1.71 0.00 0.00 66.02 64.12 1xfd s SER 426 CO 0.03 -0.55 0.97 -0.33 1.20 0.00 0.00 173.24 174.56 1xfd h GLU 427 N 2.82 0.18 0.00 5.44 5.08 -1.99 -3.43 114.58 122.68 1xfd h GLU 427 Ca -0.36 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 57.77 1xfd h GLU 427 Cb 1.19 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1xfd h GLU 427 CO 0.63 1.01 0.00 0.00 -1.00 0.00 0.00 179.01 179.65 1xfd n ALA 428 N -2.58 0.00 -3.19 3.43 0.00 -1.26 -5.05 120.51 111.87 1xfd n ALA 428 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.21 1xfd n ALA 428 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 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 -0.33 0.53 0.00 -2.14 -1.26 -4.74 118.94 111.00 1xfd s TRP 429 Ca 0.00 0.80 -0.21 0.00 2.66 0.00 0.00 56.10 59.34 1xfd s TRP 429 Cb 0.00 0.11 -0.05 0.00 -3.10 0.00 0.00 33.47 30.43 1xfd s TRP 429 CO 0.00 -0.16 1.27 -0.51 -2.66 0.00 0.00 176.95 174.89 1xfd s LEU 430 N 0.14 3.86 0.15 -4.66 2.01 -0.22 -4.95 118.68 115.01 1xfd s LEU 430 Ca -0.00 2.55 0.05 0.00 0.01 0.00 0.00 54.13 56.74 1xfd s LEU 430 Cb -0.02 -4.34 -0.04 0.00 0.01 0.00 0.00 46.19 41.80 1xfd s LEU 430 CO 0.00 -1.39 -0.11 -2.28 1.01 0.00 0.00 176.35 173.58 1xfd s HIS 431 N -1.43 1.35 -0.88 0.29 5.65 -1.26 -4.88 115.29 114.12 1xfd s HIS 431 Ca 0.71 -0.70 -0.06 0.00 0.25 0.00 0.00 55.06 55.26 1xfd s HIS 431 Cb -0.35 -0.68 -0.01 0.00 -1.18 0.00 0.00 32.58 30.37 1xfd s HIS 431 CO 0.41 0.14 0.71 0.54 -0.65 0.00 0.00 174.74 175.89 1xfd n ARG 432 N -0.14 -1.41 -0.01 2.88 1.74 -1.26 -4.93 116.66 113.53 1xfd n ARG 432 Ca -0.10 0.99 0.11 0.00 -0.77 0.00 0.00 57.85 58.07 1xfd n ARG 432 Cb 0.60 -4.37 0.10 0.00 -1.02 0.00 0.00 32.46 27.76 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 -4.06 117.38 118.01 1xfd n GLN 433 Ca -0.12 -1.79 0.14 0.00 -1.94 0.00 0.00 57.00 53.29 1xfd n GLN 433 Cb 0.59 -1.41 0.57 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 0.96 -4.32 1.08 4.13 -1.26 -4.37 115.26 112.68 1xfd n ASN 434 Ca 0.13 -1.10 -0.58 0.00 1.68 0.00 0.00 54.58 54.71 1xfd n ASN 434 Cb 0.53 0.01 -0.11 0.00 -1.54 0.00 0.00 39.78 38.68 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 -0.41 0.25 -3.10 3.52 4.07 -1.26 -4.82 120.64 118.89 1xfd n GLU 435 Ca 0.17 0.07 -0.39 0.00 -0.06 0.00 0.00 57.16 56.95 1xfd n GLU 435 Cb 0.30 -1.72 -0.05 0.00 -0.06 0.00 0.00 31.44 29.92 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 5.85 4.41 0.45 5.31 2.02 -1.26 -4.99 118.70 130.49 1xfd s GLU 436 Ca 1.17 0.82 -0.15 0.00 0.02 0.00 0.00 54.97 56.82 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 0.63 0.14 0.89 -1.25 0.02 0.00 0.00 175.26 175.69 1xfd s PRO 437 N 0.56 3.94 -0.26 0.39 0.04 -1.26 -4.90 135.00 133.51 1xfd s PRO 437 Ca 0.35 0.81 -0.07 0.00 0.04 0.00 0.00 61.00 62.14 1xfd s PRO 437 Cb -0.18 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 1xfd s PRO 437 CO 0.17 -0.13 0.05 0.08 0.04 0.00 0.00 177.00 177.21 1xfd s VAL 438 N -2.43 4.04 0.16 -0.36 1.01 0.23 -4.92 120.40 118.12 1xfd s VAL 438 Ca 0.57 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.20 1xfd s VAL 438 Cb -0.10 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1xfd s VAL 438 CO 0.28 0.28 0.28 -0.36 0.00 0.00 0.00 175.10 175.58 1xfd s PHE 439 N 1.56 3.47 0.15 5.22 0.40 -1.26 0.45 117.98 127.96 1xfd s PHE 439 Ca 0.05 0.10 -0.29 0.00 -0.60 0.00 0.00 56.93 56.19 1xfd s PHE 439 Cb -0.15 -1.65 -0.07 0.00 0.51 0.00 0.00 43.02 41.65 1xfd s PHE 439 CO 0.02 0.51 0.93 -1.54 0.70 0.00 0.00 175.22 175.84 1xfd s SER 440 N -3.29 7.53 0.29 1.36 1.04 -1.00 -4.89 113.70 114.73 1xfd s SER 440 Ca 0.34 1.82 0.25 0.00 0.48 0.00 0.00 55.95 58.84 1xfd s SER 440 Cb -0.11 -2.58 0.95 0.00 0.10 0.00 0.00 66.02 64.38 1xfd s SER 440 CO 0.28 0.03 0.91 0.29 0.98 0.00 0.00 173.24 175.73 1xfd n LYS 441 N 2.31 -0.01 -0.53 4.02 4.76 -1.26 0.25 118.16 127.70 1xfd n LYS 441 Ca 0.00 0.68 0.03 0.00 -2.87 0.00 0.00 58.31 56.15 1xfd n LYS 441 Cb 0.48 -1.46 0.23 0.00 -1.84 0.00 0.00 35.03 32.44 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 -3.46 3.72 0.00 4.39 5.75 -1.26 -4.86 116.55 120.82 1xfd n ASP 442 Ca 0.25 -2.56 0.00 0.00 -0.01 0.00 0.00 54.79 52.47 1xfd n ASP 442 Cb 1.06 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 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 0.31 0.00 0.00 6.12 0.00 0.70 -4.92 105.19 107.40 1xfd n GLY 443 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.60 3.46 -1.03 1.61 0.63 -1.23 -4.59 116.66 116.11 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 0.39 0.00 0.05 0.00 0.45 0.00 0.00 32.46 33.35 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 -4.00 -0.14 2.85 -1.26 -3.28 118.16 112.31 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 -1.25 -0.08 0.00 -0.65 0.00 0.00 35.03 33.05 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 0.47 -0.22 5.58 -0.12 0.12 -2.39 117.98 119.37 1xfd s PHE 446 Ca 0.48 -0.89 -0.03 0.00 -0.05 0.00 0.00 56.93 56.45 1xfd s PHE 446 Cb -0.25 -0.22 0.00 0.00 -0.63 0.00 0.00 43.02 41.91 1xfd s PHE 446 CO 0.75 -0.56 -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 -2.08 117.98 118.95 1xfd s PHE 447 Ca 0.14 -1.12 0.00 0.00 -0.60 0.00 0.00 56.93 55.35 1xfd s PHE 447 Cb 0.06 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.52 1xfd s PHE 447 CO -0.04 -0.61 0.00 0.34 0.70 0.00 0.00 175.22 175.60 1xfd n PHE 448 N 4.75 -0.81 -3.63 0.36 7.35 -0.27 -0.60 117.46 124.62 1xfd n PHE 448 Ca -0.19 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.48 1xfd n PHE 448 Cb 0.50 0.00 -0.05 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 0.69 -0.73 0.35 -2.13 2.07 -1.26 -1.57 121.20 118.63 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 0.03 0.00 0.13 0.00 0.00 42.46 41.62 1xfd s ILE 449 CO 0.00 0.00 0.57 -2.11 -1.91 0.00 0.00 174.94 171.49 1xfd n ARG 450 N 5.13 0.83 -2.62 3.50 1.85 -0.72 -4.88 116.66 119.75 1xfd n ARG 450 Ca -0.14 -2.51 -0.43 0.00 -1.00 0.00 0.00 57.85 53.78 1xfd n ARG 450 Cb 0.52 2.63 -0.02 0.00 -1.05 0.00 0.00 32.46 34.54 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 -2.49 3.55 -0.12 2.89 0.00 -1.26 -1.29 121.76 123.04 1xfd s ALA 451 Ca 0.24 0.33 0.01 0.00 0.00 0.00 0.00 51.96 52.54 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 0.17 -0.86 -0.13 0.96 0.00 0.00 0.00 175.76 175.90 1xfd s ILE 452 N 2.66 1.42 0.00 0.00 -4.36 -0.34 -4.87 121.20 115.72 1xfd s ILE 452 Ca 0.48 -0.56 0.00 0.00 -0.26 0.00 0.00 60.65 60.31 1xfd s ILE 452 Cb -0.18 -1.33 0.00 0.00 1.25 0.00 0.00 42.46 42.20 1xfd s ILE 452 CO 0.13 0.43 0.00 -2.65 0.24 0.00 0.00 174.94 173.09 1xfd n PRO 453 N 4.53 0.00 -3.69 0.37 -0.02 -1.26 -2.72 135.00 132.21 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 0.51 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 -3.14 -5.22 0.00 -0.52 1.13 -1.26 -3.64 117.38 104.72 1xfd n GLN 454 Ca 0.00 0.65 0.00 0.00 -1.94 0.00 0.00 57.00 55.71 1xfd n GLN 454 Cb 0.00 -5.30 0.00 0.00 0.11 0.00 0.00 30.24 25.05 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 -1.55 1.19 3.45 1.08 0.00 -1.26 -4.69 105.19 103.41 1xfd n GLY 455 Ca -0.26 0.32 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.83 107.32 102.93 1xfd s GLY 456 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1xfd s GLY 456 CO 0.00 -1.65 0.00 0.54 0.00 0.00 0.00 173.10 171.99 1xfd n ARG 457 N 0.21 0.00 -0.26 2.90 1.74 -1.26 -4.96 116.66 115.03 1xfd n ARG 457 Ca -0.12 0.00 0.04 0.00 -0.77 0.00 0.00 57.85 56.99 1xfd n ARG 457 Cb 0.56 -1.35 -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 -1.51 3.58 -0.13 0.00 -1.26 -4.79 105.19 99.92 1xfd n GLY 458 Ca 0.00 -1.18 -0.24 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 -0.48 2.07 0.18 1.61 -2.85 -1.24 -4.36 119.74 114.67 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 -2.03 -0.05 0.00 -2.06 0.00 0.00 37.83 33.69 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 -2.31 1.49 -0.27 1.78 0.40 -1.10 -1.24 117.98 116.72 1xfd s PHE 460 Ca 0.30 -0.69 -0.25 0.00 -0.60 0.00 0.00 56.93 55.69 1xfd s PHE 460 Cb -0.06 -0.74 0.00 0.00 0.51 0.00 0.00 43.02 42.73 1xfd s PHE 460 CO 0.18 0.20 0.88 0.71 0.70 0.00 0.00 175.22 177.89 1xfd s TYR 461 N -3.17 3.26 0.16 0.36 1.51 -1.26 -1.19 117.35 117.02 1xfd s TYR 461 Ca 0.20 1.10 0.01 0.00 -1.01 0.00 0.00 57.07 57.36 1xfd s TYR 461 Cb 0.01 -3.22 -0.04 0.00 -0.11 0.00 0.00 41.96 38.60 1xfd s TYR 461 CO 0.04 -0.51 0.04 -1.01 -1.11 0.00 0.00 175.55 172.99 1xfd s HIS 462 N 3.04 1.10 0.47 2.71 3.76 -0.41 -0.65 115.29 125.31 1xfd s HIS 462 Ca 0.37 -1.13 -0.22 0.00 -0.15 0.00 0.00 55.06 53.92 1xfd s HIS 462 Cb -0.14 -0.62 -0.07 0.00 1.11 0.00 0.00 32.58 32.85 1xfd s HIS 462 CO 0.10 -0.36 1.13 0.42 -0.85 0.00 0.00 174.74 175.17 1xfd s ILE 463 N -3.84 3.28 0.03 0.60 1.01 -1.26 -1.76 121.20 119.26 1xfd s ILE 463 Ca 0.26 0.92 0.01 0.00 0.00 0.00 0.00 60.65 61.83 1xfd s ILE 463 Cb 0.07 -3.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.08 1xfd s ILE 463 CO 0.04 -0.06 -0.05 -0.89 0.00 0.00 0.00 174.94 173.98 1xfd s THR 464 N -1.65 0.29 0.06 2.92 2.01 -0.61 -2.10 115.64 116.56 1xfd s THR 464 Ca 0.65 -1.03 0.09 0.00 0.31 0.00 0.00 61.69 61.70 1xfd s THR 464 Cb -0.25 -0.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.76 1xfd s THR 464 CO 0.31 -0.48 -0.24 -0.69 -0.69 0.00 0.00 174.62 172.82 1xfd s VAL 465 N -1.57 1.95 -0.05 3.82 1.01 -0.93 -1.11 120.40 123.52 1xfd s VAL 465 Ca -0.12 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.31 1xfd s VAL 465 Cb -0.09 -1.69 0.03 0.00 0.00 0.00 0.00 36.38 34.63 1xfd s VAL 465 CO -0.01 0.25 0.39 -0.44 0.00 0.00 0.00 175.10 175.29 1xfd s SER 466 N -1.35 -0.31 0.73 3.32 0.01 -0.88 -4.06 113.70 111.17 1xfd s SER 466 Ca 0.10 0.32 -0.11 0.00 1.31 0.00 0.00 55.95 57.58 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 -0.42 1.07 -0.94 0.41 0.00 0.00 173.24 173.39 1xfd s SER 467 N -1.03 4.98 0.31 2.44 1.04 -1.26 0.16 113.70 120.34 1xfd s SER 467 Ca -0.11 1.66 -0.01 0.00 0.48 0.00 0.00 55.95 57.97 1xfd s SER 467 Cb -0.04 -2.47 0.47 0.00 0.10 0.00 0.00 66.02 64.09 1xfd s SER 467 CO 0.04 -1.71 1.95 -1.28 0.98 0.00 0.00 173.24 173.23 1xfd h SER 468 N -0.90 0.87 -2.43 7.02 0.87 -1.80 -3.28 113.55 113.90 1xfd h SER 468 Ca -0.44 -0.05 -0.70 0.00 -1.23 0.00 0.00 61.79 59.37 1xfd h SER 468 Cb 1.22 -0.22 -0.35 0.00 -0.44 0.00 0.00 62.40 62.61 1xfd h SER 468 CO 0.55 0.67 0.10 0.00 -0.53 0.00 0.00 176.83 177.63 1xfd n GLN 469 N -4.39 3.81 -1.66 2.24 6.02 -1.26 -4.95 117.38 117.20 1xfd n GLN 469 Ca 0.07 -4.68 -0.47 0.00 -0.01 0.00 0.00 57.00 51.91 1xfd n GLN 469 Cb 0.07 -2.37 -0.05 0.00 1.02 0.00 0.00 30.24 28.92 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 0.57 2.17 -3.07 -1.09 -0.02 -1.24 -4.93 135.00 127.39 1xfd n PRO 470 Ca 0.32 0.77 -0.39 0.00 -2.02 0.00 0.00 63.50 62.18 1xfd n PRO 470 Cb 0.35 -2.72 -0.05 0.00 -0.02 0.00 0.00 33.50 31.06 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 4.70 7.14 0.04 2.55 0.01 -1.26 -4.91 114.94 123.21 1xfd s ASN 471 Ca 0.94 1.36 0.02 0.00 -0.71 0.00 0.00 52.86 54.47 1xfd s ASN 471 Cb -0.65 -2.43 0.13 0.00 0.41 0.00 0.00 41.25 38.71 1xfd s ASN 471 CO 0.49 0.08 0.18 -1.54 -1.51 0.00 0.00 177.10 174.80 1xfd n SER 472 N 2.59 0.02 0.00 -1.22 3.41 -1.26 -3.81 113.62 113.35 1xfd n SER 472 Ca -0.05 0.19 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 -3.47 0.00 -4.75 4.04 3.41 -1.26 -4.94 113.62 106.66 1xfd n SER 473 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.33 1xfd n SER 473 Cb 0.13 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 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 -2.48 4.12 0.70 4.04 0.01 -1.25 -5.15 114.94 114.93 1xfd s ASN 474 Ca 0.00 -1.59 -0.09 0.00 -0.71 0.00 0.00 52.86 50.47 1xfd s ASN 474 Cb 0.00 0.37 0.04 0.00 0.41 0.00 0.00 41.25 42.07 1xfd s ASN 474 CO 0.00 -0.80 1.05 -1.81 -1.51 0.00 0.00 177.10 174.03 1xfd s ASP 475 N -3.87 5.11 0.00 -1.22 1.11 -1.26 -4.62 116.67 111.92 1xfd s ASP 475 Ca 0.12 0.79 0.18 0.00 0.18 0.00 0.00 52.55 53.81 1xfd s ASP 475 Cb 0.03 -1.52 0.58 0.00 1.07 0.00 0.00 42.92 43.07 1xfd s ASP 475 CO 0.06 -1.47 1.44 0.59 1.18 0.00 0.00 175.17 176.97 1xfd n ASN 476 N -2.96 1.90 -1.76 0.27 4.13 -1.26 -4.98 115.26 110.61 1xfd n ASN 476 Ca 0.07 -1.83 -0.21 0.00 1.68 0.00 0.00 54.58 54.28 1xfd n ASN 476 Cb 0.59 -0.17 -0.02 0.00 -1.54 0.00 0.00 39.78 38.64 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 0.34 0.00 2.41 -5.35 -1.26 -4.68 119.36 111.31 1xfd n ILE 477 Ca 0.15 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.55 1xfd n ILE 477 Cb 0.34 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 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 0.51 0.00 -2.73 6.28 0.00 -1.26 -5.02 117.38 115.16 1xfd n GLN 478 Ca 0.08 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 -0.17 1.69 1.04 -1.26 -2.20 113.70 119.33 1xfd s SER 479 Ca 0.00 1.22 0.06 0.00 0.48 0.00 0.00 55.95 57.71 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 0.18 -0.38 0.98 0.00 0.00 173.24 173.56 1xfd n ILE 480 N -1.42 1.56 -4.55 -1.02 5.41 -0.89 -4.95 119.36 113.50 1xfd n ILE 480 Ca 0.03 -0.71 -0.26 0.00 1.00 0.00 0.00 62.75 62.81 1xfd n ILE 480 Cb 0.54 -1.16 -0.11 0.00 -0.71 0.00 0.00 39.64 38.20 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 2.21 -0.02 1.39 -4.23 -1.26 -4.89 115.64 106.30 1xfd s THR 481 Ca -0.19 -2.17 -0.29 0.00 -1.18 0.00 0.00 61.69 57.86 1xfd s THR 481 Cb 0.07 -2.70 0.10 0.00 1.34 0.00 0.00 72.50 71.32 1xfd s THR 481 CO 0.75 -0.17 0.88 -0.94 -0.54 0.00 0.00 174.62 174.60 1xfd s SER 482 N -3.62 -0.38 0.00 3.99 1.04 -1.26 -4.62 113.70 108.84 1xfd s SER 482 Ca 0.33 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1xfd s SER 482 Cb 0.04 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1xfd s SER 482 CO 0.17 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1xfd n GLY 483 N -0.11 1.02 2.68 7.32 0.00 -1.26 -4.93 105.19 109.91 1xfd n GLY 483 Ca -0.09 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.56 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 2.94 7.19 -3.46 1.61 8.00 -1.26 -4.75 116.55 126.82 1xfd n ASP 484 Ca 0.00 -3.43 -0.14 0.00 0.71 0.00 0.00 54.79 51.93 1xfd n ASP 484 Cb 0.00 -1.27 -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 -2.69 -0.58 0.03 1.24 1.48 -1.26 -5.01 118.94 112.15 1xfd s TRP 485 Ca 0.42 0.61 0.03 0.00 -1.06 0.00 0.00 56.10 56.10 1xfd s TRP 485 Cb 0.16 0.51 -0.04 0.00 -1.16 0.00 0.00 33.47 32.93 1xfd s TRP 485 CO -0.07 -0.75 -0.00 -0.51 -4.06 0.00 0.00 176.95 171.56 1xfd s ASP 486 N -2.18 5.05 0.01 -2.66 1.01 -1.26 -4.51 116.67 112.13 1xfd s ASP 486 Ca -0.03 -0.08 -0.21 0.00 0.71 0.00 0.00 52.55 52.95 1xfd s ASP 486 Cb -0.01 -1.27 -0.06 0.00 1.01 0.00 0.00 42.92 42.60 1xfd s ASP 486 CO -0.05 0.24 0.60 -0.69 0.21 0.00 0.00 175.17 175.49 1xfd s VAL 487 N -1.16 4.86 -0.44 -1.27 1.01 0.18 -1.20 120.40 122.39 1xfd s VAL 487 Ca 0.22 1.27 0.07 0.00 0.00 0.00 0.00 61.98 63.54 1xfd s VAL 487 Cb -0.12 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.26 1xfd s VAL 487 CO 0.13 0.44 0.38 0.35 0.00 0.00 0.00 175.10 176.39 1xfd n THR 488 N 2.56 0.00 -3.25 3.92 -2.24 -0.29 -4.79 114.28 110.19 1xfd n THR 488 Ca -0.07 -0.35 0.03 0.00 -2.27 0.00 0.00 64.05 61.39 1xfd n THR 488 Cb 0.51 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.55 0.14 -0.03 -0.78 2.47 -1.22 -4.94 119.74 113.84 1xfd s LYS 489 Ca 0.04 0.34 -0.30 0.00 -1.56 0.00 0.00 55.97 54.49 1xfd s LYS 489 Cb 0.06 0.20 -0.03 0.00 -1.46 0.00 0.00 37.83 36.60 1xfd s LYS 489 CO 0.27 -0.07 0.99 0.42 0.16 0.00 0.00 175.35 177.12 1xfd s ILE 490 N 2.37 4.85 -0.22 5.43 1.01 -1.26 -1.59 121.20 131.78 1xfd s ILE 490 Ca -0.01 2.05 0.07 0.00 0.00 0.00 0.00 60.65 62.77 1xfd s ILE 490 Cb -0.04 -4.32 -0.19 0.00 0.01 0.00 0.00 42.46 37.92 1xfd s ILE 490 CO -0.15 0.12 -0.11 0.18 0.00 0.00 0.00 174.94 174.98 1xfd n LEU 491 N 4.20 1.86 -3.51 2.97 4.77 0.59 -4.96 117.00 122.93 1xfd n LEU 491 Ca 0.07 -0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.88 1xfd n LEU 491 Cb 0.50 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1xfd n LEU 491 CO 0.52 0.74 0.70 0.00 -1.33 0.00 0.00 177.39 178.02 1xfd s ALA 492 N -2.47 -1.83 -0.15 -1.18 0.00 -1.17 -4.83 121.76 110.12 1xfd s ALA 492 Ca -0.24 1.04 -0.01 0.00 0.00 0.00 0.00 51.96 52.75 1xfd s ALA 492 Cb 0.07 0.38 0.04 0.00 0.00 0.00 0.00 23.12 23.62 1xfd s ALA 492 CO 0.64 -0.68 -0.04 -0.47 0.00 0.00 0.00 175.76 175.21 1xfd s TYR 493 N -3.07 1.50 -0.92 0.00 5.04 -1.26 -1.56 117.35 117.08 1xfd s TYR 493 Ca 0.05 -0.93 -0.16 0.00 -2.44 0.00 0.00 57.07 53.59 1xfd s TYR 493 Cb -0.01 -1.22 0.18 0.00 0.35 0.00 0.00 41.96 41.25 1xfd s TYR 493 CO -0.09 -0.57 1.01 0.34 -1.34 0.00 0.00 175.55 174.90 1xfd s ASP 494 N 1.70 6.76 0.54 4.32 2.15 -0.48 -4.87 116.67 126.78 1xfd s ASP 494 Ca 0.01 -2.46 0.27 0.00 0.43 0.00 0.00 52.55 50.81 1xfd s ASP 494 Cb -0.15 -2.32 1.45 0.00 -0.30 0.00 0.00 42.92 41.60 1xfd s ASP 494 CO -0.08 -0.81 1.96 -0.08 -0.17 0.00 0.00 175.17 176.00 1xfd h GLU 495 N 8.18 0.00 -3.52 4.34 4.81 -1.98 -3.22 114.58 123.18 1xfd h GLU 495 Ca 0.15 0.00 -0.44 0.00 -0.13 0.00 0.00 59.36 58.94 1xfd h GLU 495 Cb 1.01 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.41 1xfd h GLU 495 CO 0.97 0.00 2.70 1.63 -0.73 0.00 0.00 179.01 183.59 1xfd n LYS 496 N -4.21 2.18 0.00 1.92 4.76 -1.26 -4.69 118.16 116.86 1xfd n LYS 496 Ca 0.11 -1.59 0.00 0.00 -2.87 0.00 0.00 58.31 53.96 1xfd n LYS 496 Cb 0.68 -2.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.32 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 3.84 0.49 2.59 0.72 0.00 -1.22 -4.94 105.19 106.68 1xfd n GLY 497 Ca 0.48 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.15 -3.91 1.61 0.23 -1.25 -4.72 115.26 105.07 1xfd n ASN 498 Ca 0.00 -2.90 -0.18 0.00 -0.53 0.00 0.00 54.58 50.97 1xfd n ASN 498 Cb 0.00 0.96 -0.15 0.00 -2.08 0.00 0.00 39.78 38.51 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 0.33 0.57 -0.20 -3.83 -0.14 -1.23 -3.08 119.74 112.16 1xfd s LYS 499 Ca 0.32 -0.12 -0.04 0.00 -1.36 0.00 0.00 55.97 54.77 1xfd s LYS 499 Cb 0.11 -0.60 0.08 0.00 -1.68 0.00 0.00 37.83 35.74 1xfd s LYS 499 CO -0.15 0.00 0.15 -1.50 -0.76 0.00 0.00 175.35 173.09 1xfd s ILE 500 N 0.45 -0.18 0.13 2.17 -1.16 -0.49 -1.38 121.20 120.73 1xfd s ILE 500 Ca -0.05 -0.23 -0.12 0.00 -0.51 0.00 0.00 60.65 59.74 1xfd s ILE 500 Cb -0.09 -0.67 -0.06 0.00 0.61 0.00 0.00 42.46 42.25 1xfd s ILE 500 CO -0.00 -0.31 0.49 -0.31 -2.81 0.00 0.00 174.94 171.99 1xfd s TYR 501 N 2.21 3.57 0.15 3.50 1.51 -0.60 -1.83 117.35 125.86 1xfd s TYR 501 Ca 0.05 0.92 -0.25 0.00 -1.01 0.00 0.00 57.07 56.78 1xfd s TYR 501 Cb -0.16 -2.27 0.07 0.00 -0.11 0.00 0.00 41.96 39.49 1xfd s TYR 501 CO -0.14 0.45 0.98 -0.59 -1.11 0.00 0.00 175.55 175.13 1xfd s PHE 502 N -1.48 -0.12 0.10 2.71 -0.12 -1.10 -0.30 117.98 117.67 1xfd s PHE 502 Ca 0.37 -0.18 0.03 0.00 -0.05 0.00 0.00 56.93 57.10 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 -0.81 0.10 -0.51 -0.05 0.00 0.00 175.22 174.14 1xfd s LEU 503 N -2.96 3.83 0.26 -1.99 2.01 -0.62 0.19 118.68 119.41 1xfd s LEU 503 Ca 0.13 -0.02 -0.12 0.00 0.01 0.00 0.00 54.13 54.12 1xfd s LEU 503 Cb -0.01 -2.49 0.00 0.00 0.01 0.00 0.00 46.19 43.70 1xfd s LEU 503 CO 0.02 0.15 0.50 -0.44 1.01 0.00 0.00 176.35 177.59 1xfd s SER 504 N -2.57 0.00 -0.04 2.29 0.01 -0.98 -1.14 113.70 111.26 1xfd s SER 504 Ca 0.30 -0.98 0.15 0.00 1.31 0.00 0.00 55.95 56.73 1xfd s SER 504 Cb -0.12 0.61 0.46 0.00 0.21 0.00 0.00 66.02 67.19 1xfd s SER 504 CO 0.23 -1.19 1.39 0.35 0.41 0.00 0.00 173.24 174.42 1xfd n THR 505 N -0.41 1.31 -0.19 1.44 -2.24 -0.34 -3.09 114.28 110.76 1xfd n THR 505 Ca -0.02 -1.15 0.24 0.00 -2.27 0.00 0.00 64.05 60.85 1xfd n THR 505 Cb 0.62 0.34 0.63 0.00 -2.10 0.00 0.00 70.33 69.82 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 2.73 0.16 0.00 -0.78 4.81 -1.90 -2.82 114.58 116.79 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 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.33 1xfd h GLU 506 CO 0.07 0.11 0.00 -3.47 -0.73 0.00 0.00 179.01 174.99 1xfd n ASP 507 N -4.38 0.00 -3.89 1.04 -0.08 -1.26 -4.93 116.55 103.05 1xfd n ASP 507 Ca 0.18 0.25 -0.12 0.00 -1.51 0.00 0.00 54.79 53.59 1xfd n ASP 507 Cb 0.83 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 44.15 1xfd n ASP 507 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1xfd s LEU 508 N -0.93 2.02 0.62 -2.67 2.96 -1.07 -5.02 118.68 114.59 1xfd s LEU 508 Ca 0.00 -0.04 0.31 0.00 -0.22 0.00 0.00 54.13 54.18 1xfd s LEU 508 Cb 0.00 -0.03 1.71 0.00 0.50 0.00 0.00 46.19 48.37 1xfd s LEU 508 CO 0.00 -0.01 2.04 1.55 -1.32 0.00 0.00 176.35 178.61 1xfd h PRO 509 N 6.04 0.00 -0.10 0.98 0.13 -1.89 0.23 132.00 137.40 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 0.50 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.81 1xfd n ARG 510 N -3.42 1.29 -4.42 0.86 1.74 -1.26 -4.87 116.66 106.57 1xfd n ARG 510 Ca 0.01 -0.44 -0.21 0.00 -0.77 0.00 0.00 57.85 56.45 1xfd n ARG 510 Cb 0.38 -1.21 -0.10 0.00 -1.02 0.00 0.00 32.46 30.50 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 -1.87 1.61 -0.22 5.56 0.52 0.80 -1.23 118.95 124.12 1xfd s ARG 511 Ca 0.19 -1.89 -0.04 0.00 -0.52 0.00 0.00 55.73 53.47 1xfd s ARG 511 Cb 0.09 -0.74 0.08 0.00 0.52 0.00 0.00 34.95 34.90 1xfd s ARG 511 CO 0.14 -0.22 0.10 1.03 0.02 0.00 0.00 175.30 176.38 1xfd s ARG 512 N -3.92 0.19 0.10 3.54 3.00 -0.91 -4.50 118.95 116.45 1xfd s ARG 512 Ca 0.37 -0.32 0.07 0.00 0.00 0.00 0.00 55.73 55.84 1xfd s ARG 512 Cb 0.08 -1.62 -0.04 0.00 0.00 0.00 0.00 34.95 33.38 1xfd s ARG 512 CO 0.15 -0.81 -0.09 -0.65 0.00 0.00 0.00 175.30 173.91 1xfd s GLN 513 N 2.08 2.20 -0.10 3.54 -1.52 -1.18 -0.76 119.66 123.93 1xfd s GLN 513 Ca 0.05 -0.98 -0.22 0.00 -1.95 0.00 0.00 55.36 52.25 1xfd s GLN 513 Cb -0.16 -2.34 -0.04 0.00 -0.22 0.00 0.00 33.01 30.25 1xfd s GLN 513 CO -0.20 0.52 0.64 -1.17 -0.25 0.00 0.00 175.29 174.83 1xfd s LEU 514 N -2.17 4.28 0.00 2.90 2.96 -1.26 -2.31 118.68 123.08 1xfd s LEU 514 Ca 0.22 1.05 0.00 0.00 -0.22 0.00 0.00 54.13 55.18 1xfd s LEU 514 Cb -0.11 -2.96 -0.00 0.00 0.50 0.00 0.00 46.19 43.61 1xfd s LEU 514 CO 0.14 -0.11 0.01 -1.22 -1.32 0.00 0.00 176.35 173.85 1xfd n TYR 515 N 3.93 0.12 -3.57 5.38 4.02 0.13 -1.59 117.16 125.58 1xfd n TYR 515 Ca -0.03 -0.36 -0.14 0.00 -0.01 0.00 0.00 57.90 57.36 1xfd n TYR 515 Cb 0.51 -0.03 -0.06 0.00 -0.02 0.00 0.00 39.34 39.74 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 -1.38 -0.56 0.10 7.72 1.04 -0.92 -2.72 113.70 116.98 1xfd s SER 516 Ca 0.01 0.75 -0.02 0.00 0.48 0.00 0.00 55.95 57.17 1xfd s SER 516 Cb 0.00 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 1xfd s SER 516 CO 0.01 -0.42 0.03 0.00 0.98 0.00 0.00 173.24 173.84 1xfd s ALA 517 N -0.77 0.65 -0.18 5.32 0.00 -0.76 -1.51 121.76 124.51 1xfd s ALA 517 Ca -0.05 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.42 1xfd s ALA 517 Cb -0.01 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1xfd s ALA 517 CO 0.04 -0.44 0.49 -0.80 0.00 0.00 0.00 175.76 175.04 1xfd s ASN 518 N -2.98 6.57 0.33 0.00 0.02 -1.22 -1.40 114.94 116.25 1xfd s ASN 518 Ca 0.16 0.68 0.25 0.00 -1.02 0.00 0.00 52.86 52.93 1xfd s ASN 518 Cb 0.07 -2.28 1.16 0.00 0.02 0.00 0.00 41.25 40.22 1xfd s ASN 518 CO -0.04 -0.12 1.77 0.00 0.02 0.00 0.00 177.10 178.73 1xfd h THR 519 N 5.01 0.00 -5.39 1.60 1.03 -1.82 -3.28 112.91 110.05 1xfd h THR 519 Ca -0.36 -0.19 -0.47 0.00 -0.01 0.00 0.00 66.41 65.37 1xfd h THR 519 Cb 1.16 0.91 -0.05 0.00 -1.07 0.00 0.00 68.15 69.10 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 -2.39 0.00 0.00 0.00 0.31 -1.26 -4.97 118.33 110.01 1xfd n VAL 520 Ca 0.01 -1.78 0.00 0.00 -0.01 0.00 0.00 64.34 62.56 1xfd n VAL 520 Cb 0.18 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 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 -0.26 0.00 0.11 2.92 0.00 -1.26 -2.56 105.19 104.14 1xfd n GLY 521 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 1.88 -0.29 1.61 3.02 -1.26 -5.02 115.26 115.19 1xfd n ASN 522 Ca 0.00 0.43 0.00 0.00 -0.03 0.00 0.00 54.58 54.98 1xfd n ASN 522 Cb 0.00 -0.90 0.00 0.00 -0.61 0.00 0.00 39.78 38.27 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 -4.42 0.00 -2.29 3.10 3.72 -1.06 -4.99 117.46 111.52 1xfd n PHE 523 Ca -0.33 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.65 1xfd n PHE 523 Cb 0.66 -0.95 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 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 -2.95 6.92 -0.21 4.37 -0.87 -1.26 -4.51 114.94 116.43 1xfd s ASN 524 Ca 0.00 2.09 -0.16 0.00 -1.57 0.00 0.00 52.86 53.21 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 0.00 177.10 174.19 1xfd s ARG 525 N 1.85 4.15 -0.16 -0.60 0.52 -1.26 -3.41 118.95 120.04 1xfd s ARG 525 Ca 0.62 0.23 -0.01 0.00 -0.52 0.00 0.00 55.73 56.04 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 1.49 3.36 -0.71 3.54 0.74 -0.57 -4.97 119.66 122.55 1xfd s GLN 526 Ca 0.20 -0.68 -0.20 0.00 0.05 0.00 0.00 55.36 54.72 1xfd s GLN 526 Cb -0.15 -2.73 0.10 0.00 1.10 0.00 0.00 33.01 31.33 1xfd s GLN 526 CO 0.08 0.08 0.92 0.00 -0.55 0.00 0.00 175.29 175.83 1xfd h LEU 528 N 10.67 0.46 0.00 0.00 4.07 -1.60 -3.35 115.31 125.56 1xfd h LEU 528 Ca -0.18 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1xfd h LEU 528 Cb 1.06 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.75 1xfd h LEU 528 CO 1.13 0.30 0.00 -1.54 -1.08 0.00 0.00 178.44 177.25 1xfd n SER 529 N -4.84 0.00 0.00 -0.43 3.41 -1.12 -4.79 113.62 105.85 1xfd n SER 529 Ca 0.08 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 1xfd n SER 529 Cb 0.18 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.63 -5.68 -4.92 0.00 8.00 -1.26 -4.98 116.55 108.33 1xfd n ASP 531 Ca 0.00 0.09 -0.26 0.00 0.71 0.00 0.00 54.79 55.33 1xfd n ASP 531 Cb 0.00 -3.49 0.07 0.00 -0.02 0.00 0.00 41.12 37.68 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 -0.81 2.77 -0.09 0.64 0.20 0.88 -4.30 118.68 117.97 1xfd s LEU 532 Ca 0.00 0.50 -0.00 0.00 0.69 0.00 0.00 54.13 55.32 1xfd s LEU 532 Cb 0.00 -3.13 0.00 0.00 -0.43 0.00 0.00 46.19 42.63 1xfd s LEU 532 CO 0.00 -1.65 0.06 1.33 -0.29 0.00 0.00 176.35 175.80 1xfd n VAL 533 N -2.99 -0.31 -0.43 1.68 0.24 -1.26 -4.81 118.33 110.46 1xfd n VAL 533 Ca 0.08 -0.01 -0.27 0.00 -2.04 0.00 0.00 64.34 62.10 1xfd n VAL 533 Cb 0.61 -0.27 0.23 0.00 -1.47 0.00 0.00 33.84 32.93 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 -0.80 -3.22 -0.88 7.34 -0.58 -1.26 -4.05 120.64 117.20 1xfd n GLU 534 Ca -0.03 -0.94 0.00 0.00 -0.42 0.00 0.00 57.16 55.77 1xfd n GLU 534 Cb 0.07 -1.80 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 -3.72 -1.88 -3.64 1.62 2.85 -1.26 -4.99 115.26 104.23 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 -0.31 -0.07 0.00 1.24 0.00 0.00 39.78 41.16 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 4.32 0.27 -4.00 0.00 -2.24 -0.18 -4.79 114.28 107.66 1xfd n THR 537 Ca -0.20 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 60.65 1xfd n THR 537 Cb 0.59 0.95 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.27 3.40 0.05 4.78 6.14 -0.84 -2.14 117.35 128.47 1xfd s TYR 538 Ca 0.00 0.33 -0.05 0.00 0.64 0.00 0.00 57.07 57.99 1xfd s TYR 538 Cb 0.00 -1.96 -0.02 0.00 0.42 0.00 0.00 41.96 40.41 1xfd s TYR 538 CO 0.00 0.51 0.08 -0.06 0.64 0.00 0.00 175.55 176.72 1xfd s PHE 539 N -0.55 0.26 0.03 4.97 0.08 0.06 -4.15 117.98 118.68 1xfd s PHE 539 Ca 0.11 -0.64 -0.06 0.00 0.12 0.00 0.00 56.93 56.46 1xfd s PHE 539 Cb -0.12 -0.18 -0.01 0.00 -0.57 0.00 0.00 43.02 42.14 1xfd s PHE 539 CO 0.02 -0.40 0.11 0.45 -0.10 0.00 0.00 175.22 175.30 1xfd s SER 540 N -2.43 0.12 0.06 1.36 0.15 -0.54 -4.79 113.70 107.63 1xfd s SER 540 Ca -0.01 -0.42 -0.27 0.00 0.70 0.00 0.00 55.95 55.95 1xfd s SER 540 Cb 0.02 0.22 0.09 0.00 -1.71 0.00 0.00 66.02 64.64 1xfd s SER 540 CO -0.07 -0.47 0.94 0.00 1.20 0.00 0.00 173.24 174.85 1xfd s ALA 541 N -2.20 -1.77 -0.08 5.45 0.00 -1.26 -0.36 121.76 121.53 1xfd s ALA 541 Ca -0.08 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.38 1xfd s ALA 541 Cb -0.03 0.50 0.03 0.00 0.00 0.00 0.00 23.12 23.62 1xfd s ALA 541 CO -0.03 -0.86 0.29 -1.54 0.00 0.00 0.00 175.76 173.62 1xfd s SER 542 N -2.70 -0.26 0.17 0.00 1.04 -0.37 -4.96 113.70 106.61 1xfd s SER 542 Ca 0.09 0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.99 1xfd s SER 542 Cb -0.01 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.59 1xfd s SER 542 CO -0.04 -0.20 0.18 -0.36 0.98 0.00 0.00 173.24 173.81 1xfd s PHE 543 N -0.28 3.24 1.11 5.02 0.40 -1.26 0.54 117.98 126.75 1xfd s PHE 543 Ca -0.04 0.01 -0.13 0.00 -0.60 0.00 0.00 56.93 56.18 1xfd s PHE 543 Cb -0.03 -1.55 0.25 0.00 0.51 0.00 0.00 43.02 42.20 1xfd s PHE 543 CO 0.01 0.52 1.05 -1.54 0.70 0.00 0.00 175.22 175.96 1xfd s SER 544 N -3.19 1.51 0.00 1.36 1.04 0.08 -4.79 113.70 109.72 1xfd s SER 544 Ca 0.32 1.46 0.00 0.00 0.48 0.00 0.00 55.95 58.21 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 -3.86 0.45 1.41 0.98 0.00 0.00 173.24 172.47 1xfd n HIS 545 N -4.69 0.00 -1.75 5.02 8.25 0.13 -1.52 115.22 120.67 1xfd n HIS 545 Ca 0.04 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1xfd n HIS 545 Cb 0.55 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 0.78 0.00 0.00 0.41 7.64 -1.26 -4.55 113.62 116.64 1xfd n SER 546 Ca 0.00 -0.80 0.00 0.00 1.01 0.00 0.00 58.87 59.08 1xfd n SER 546 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.15 1.43 0.00 -0.57 -4.81 117.12 113.02 1xfd n MET 547 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.58 1xfd n MET 547 Cb 0.40 -3.50 -0.08 0.00 0.00 0.00 0.00 33.22 30.03 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 -1.75 -1.22 7.83 3.45 -1.86 -3.37 116.42 119.50 1xfd h ASP 548 Ca 0.00 0.24 -0.62 0.00 0.43 0.00 0.00 57.03 57.08 1xfd h ASP 548 Cb 0.00 0.73 -0.11 0.00 -0.56 0.00 0.00 39.33 39.39 1xfd h ASP 548 CO 0.00 -0.39 -0.53 -0.36 -1.57 0.00 0.00 179.24 176.39 1xfd s PHE 549 N -5.71 2.31 -0.26 4.55 0.08 -1.26 0.19 117.98 117.88 1xfd s PHE 549 Ca -0.14 -0.73 -0.22 0.00 0.12 0.00 0.00 56.93 55.95 1xfd s PHE 549 Cb 0.10 -1.80 0.07 0.00 -0.57 0.00 0.00 43.02 40.82 1xfd s PHE 549 CO 0.63 0.25 0.67 -0.59 -0.10 0.00 0.00 175.22 176.08 1xfd s PHE 550 N -2.73 -0.80 0.17 0.36 -0.12 -0.41 -0.74 117.98 113.72 1xfd s PHE 550 Ca 0.29 1.86 -0.28 0.00 -0.05 0.00 0.00 56.93 58.75 1xfd s PHE 550 Cb 0.05 0.33 -0.08 0.00 -0.63 0.00 0.00 43.02 42.69 1xfd s PHE 550 CO 0.16 -0.39 0.89 -0.51 -0.05 0.00 0.00 175.22 175.32 1xfd s LEU 551 N 0.63 4.58 -0.09 -1.99 1.43 0.19 -2.45 118.68 120.97 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 -0.03 0.11 -0.04 -0.22 0.23 0.00 0.00 176.35 176.39 1xfd s LEU 552 N -0.80 0.96 -0.07 1.79 1.98 -0.19 -1.24 118.68 121.12 1xfd s LEU 552 Ca 0.41 -0.21 0.04 0.00 -2.89 0.00 0.00 54.13 51.48 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 -0.18 -1.59 -1.89 0.00 0.00 176.35 172.84 1xfd s LYS 553 N 1.76 2.67 0.00 1.98 -2.85 0.51 -0.23 119.74 123.58 1xfd s LYS 553 Ca 0.04 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 1xfd s LYS 553 Cb -0.13 -2.35 0.00 0.00 -2.06 0.00 0.00 37.83 33.29 1xfd s LYS 553 CO -0.06 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 -3.29 120.64 117.11 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 -0.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.23 105.19 105.95 1xfd n GLY 556 Ca 0.00 -1.36 0.01 0.00 0.00 0.00 0.00 46.02 44.67 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 -7.54 1.61 0.11 -1.43 -0.30 132.00 124.45 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 0.58 0.38 0.20 -0.21 0.00 0.00 178.00 178.95 1xfd s GLY 558 N -4.48 1.60 0.06 -0.55 0.00 0.52 -4.44 107.32 100.04 1xfd s GLY 558 Ca 0.02 -0.50 -0.37 0.00 0.00 0.00 0.00 44.72 43.87 1xfd s GLY 558 CO 0.74 -0.03 1.21 -0.62 0.00 0.00 0.00 173.10 174.40 1xfd n VAL 559 N -3.32 0.11 -1.42 1.40 0.31 -1.26 -4.69 118.33 109.45 1xfd n VAL 559 Ca 0.07 -0.03 -0.36 0.00 -0.01 0.00 0.00 64.34 64.01 1xfd n VAL 559 Cb 0.59 -0.50 0.08 0.00 -0.91 0.00 0.00 33.84 33.10 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 2.05 0.59 -3.59 5.55 -0.02 -1.26 -4.84 135.00 133.48 1xfd n PRO 560 Ca 0.19 0.25 -0.07 0.00 -2.02 0.00 0.00 63.50 61.85 1xfd n PRO 560 Cb 0.15 -2.18 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 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 1.03 -0.08 -0.52 0.23 -1.26 -4.64 119.30 110.91 1xfd s MET 561 Ca 0.74 -0.46 0.04 0.00 -1.03 0.00 0.00 55.69 54.98 1xfd s MET 561 Cb -0.36 0.42 -0.00 0.00 -1.53 0.00 0.00 34.83 33.36 1xfd s MET 561 CO 0.50 -0.46 -0.23 0.08 -2.03 0.00 0.00 175.02 172.88 1xfd s VAL 562 N -3.27 1.91 0.28 5.16 1.01 -0.25 -1.00 120.40 124.24 1xfd s VAL 562 Ca 0.07 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.14 1xfd s VAL 562 Cb -0.01 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 1xfd s VAL 562 CO -0.05 0.53 -0.01 -0.89 0.00 0.00 0.00 175.10 174.68 1xfd s THR 563 N 0.19 1.31 -0.06 3.92 2.01 0.68 -1.33 115.64 122.36 1xfd s THR 563 Ca -0.13 -2.06 0.02 0.00 0.31 0.00 0.00 61.69 59.84 1xfd s THR 563 Cb -0.16 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.85 1xfd s THR 563 CO 0.06 -0.22 -0.12 -0.69 -0.69 0.00 0.00 174.62 172.96 1xfd s VAL 564 N -3.23 1.09 0.17 3.82 1.01 -0.91 -1.02 120.40 121.34 1xfd s VAL 564 Ca 0.31 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.86 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 0.63 1.26 -0.40 5.22 3.76 -1.03 0.96 115.29 125.70 1xfd s HIS 565 Ca -0.14 -0.95 -0.10 0.00 -0.15 0.00 0.00 55.06 53.73 1xfd s HIS 565 Cb -0.15 -0.71 0.06 0.00 1.11 0.00 0.00 32.58 32.89 1xfd s HIS 565 CO 0.03 -0.12 0.24 0.54 -0.85 0.00 0.00 174.74 174.58 1xfd s ASN 566 N -3.19 5.69 0.00 1.40 4.22 -1.24 -1.29 114.94 120.54 1xfd s ASN 566 Ca 0.22 -1.27 0.00 0.00 -2.14 0.00 0.00 52.86 49.68 1xfd s ASN 566 Cb 0.05 -2.01 0.00 0.00 1.28 0.00 0.00 41.25 40.57 1xfd s ASN 566 CO 0.03 -0.47 0.00 1.07 -2.04 0.00 0.00 177.10 175.69 1xfd n THR 567 N 4.96 0.00 0.00 0.54 5.66 0.51 -1.40 114.28 124.55 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 -3.12 0.00 -0.30 1.09 -2.24 -1.26 -4.00 114.28 104.45 1xfd n THR 568 Ca 0.00 1.07 0.04 0.00 -2.27 0.00 0.00 64.05 62.89 1xfd n THR 568 Cb 0.00 -1.98 0.13 0.00 -2.10 0.00 0.00 70.33 66.38 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 -1.63 -3.45 116.42 115.87 1xfd h ASP 569 Ca 0.00 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.89 1xfd h ASP 569 Cb 0.00 0.50 0.00 0.00 0.68 0.00 0.00 39.33 40.51 1xfd h ASP 569 CO 0.00 -0.27 0.00 0.29 -1.61 0.00 0.00 179.24 177.65 1xfd n LYS 570 N -5.52 0.00 -2.80 0.28 5.02 -0.49 -5.00 118.16 109.66 1xfd n LYS 570 Ca 0.13 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.01 1xfd n LYS 570 Cb 0.46 -2.58 -0.03 0.00 -0.02 0.00 0.00 35.03 32.86 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 -0.09 4.48 -0.65 1.97 2.20 -1.26 -4.84 119.74 121.54 1xfd s LYS 571 Ca 0.00 1.25 -0.26 0.00 -0.36 0.00 0.00 55.97 56.60 1xfd s LYS 571 Cb 0.00 -3.49 -0.10 0.00 -1.51 0.00 0.00 37.83 32.74 1xfd s LYS 571 CO 0.00 -0.11 2.36 0.21 -0.36 0.00 0.00 175.35 177.45 1xfd s LYS 572 N 1.29 1.92 0.63 4.03 2.20 -1.26 -3.63 119.74 124.93 1xfd s LYS 572 Ca 0.47 0.87 0.39 0.00 -0.36 0.00 0.00 55.97 57.34 1xfd s LYS 572 Cb -0.19 -4.69 2.16 0.00 -1.51 0.00 0.00 37.83 33.60 1xfd s LYS 572 CO 0.22 -3.78 2.31 0.52 -0.36 0.00 0.00 175.35 174.25 1xfd h MET 573 N 15.88 0.00 0.00 4.03 2.86 0.25 -3.47 114.93 134.48 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 1.10 0.01 0.00 1.97 1.06 0.00 0.00 176.91 181.04 1xfd n PHE 574 N -3.32 0.00 -3.87 -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 6.25 -0.20 5.98 1.01 -1.26 -2.15 116.67 126.30 1xfd s ASP 575 Ca 0.00 0.37 -0.04 0.00 0.71 0.00 0.00 52.55 53.60 1xfd s ASP 575 Cb 0.00 -2.04 -0.20 0.00 1.01 0.00 0.00 42.92 41.68 1xfd s ASP 575 CO 0.00 0.33 0.02 -0.11 0.21 0.00 0.00 175.17 175.62 1xfd n LEU 576 N 2.48 2.73 -3.69 1.23 7.94 -0.44 -4.95 117.00 122.30 1xfd n LEU 576 Ca -0.19 0.05 -0.10 0.00 -1.11 0.00 0.00 56.01 54.67 1xfd n LEU 576 Cb 0.54 -0.99 -0.11 0.00 0.53 0.00 0.00 43.42 43.39 1xfd n LEU 576 CO 0.33 0.85 0.05 -0.70 -1.11 0.00 0.00 177.39 176.81 1xfd s GLU 577 N -2.53 0.38 -0.02 1.96 2.56 -1.08 -4.97 118.70 114.99 1xfd s GLU 577 Ca -0.30 0.84 0.08 0.00 0.00 0.00 0.00 54.97 55.59 1xfd s GLU 577 Cb 0.08 0.04 -0.13 0.00 2.00 0.00 0.00 34.13 36.13 1xfd s GLU 577 CO 0.66 -0.18 0.16 -2.37 -0.56 0.00 0.00 175.26 172.97 1xfd n THR 578 N 4.49 0.09 -3.51 -1.70 5.66 -1.26 -1.09 114.28 116.96 1xfd n THR 578 Ca -0.20 -0.22 -0.23 0.00 -3.05 0.00 0.00 64.05 60.35 1xfd n THR 578 Cb 0.54 0.12 0.05 0.00 -1.55 0.00 0.00 70.33 69.50 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 -1.88 -5.04 -0.18 1.09 3.02 -1.26 -4.81 115.26 106.21 1xfd n ASN 579 Ca -0.03 -0.86 -0.07 0.00 -0.03 0.00 0.00 54.58 53.59 1xfd n ASN 579 Cb 0.31 -4.25 0.08 0.00 -0.61 0.00 0.00 39.78 35.31 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 -1.58 0.97 -0.72 3.52 4.57 -1.96 -2.45 114.58 116.94 1xfd h GLU 580 Ca -0.63 -0.29 0.08 0.00 -1.18 0.00 0.00 59.36 57.34 1xfd h GLU 580 Cb 1.34 -0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 29.72 1xfd h GLU 580 CO 0.48 0.95 -0.54 0.45 -1.18 0.00 0.00 179.01 179.17 1xfd h HIS 581 N 0.90 -1.68 -0.47 0.92 3.86 -1.90 0.26 115.15 117.04 1xfd h HIS 581 Ca 0.17 0.10 0.02 0.00 -1.16 0.00 0.00 60.37 59.50 1xfd h HIS 581 Cb 0.51 0.83 -0.03 0.00 1.06 0.00 0.00 27.41 29.77 1xfd h HIS 581 CO 0.03 -0.43 0.27 0.28 0.86 0.00 0.00 177.93 178.95 1xfd h VAL 582 N -0.18 1.03 -0.57 2.45 2.07 -1.48 -1.11 116.25 118.46 1xfd h VAL 582 Ca 0.14 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1xfd h VAL 582 Cb 0.52 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1xfd h VAL 582 CO -0.78 0.10 0.36 0.11 0.02 0.00 0.00 177.57 177.38 1xfd h LYS 583 N 0.54 0.76 0.08 1.57 1.57 -0.65 0.59 116.57 121.02 1xfd h LYS 583 Ca 0.19 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1xfd h LYS 583 Cb 0.03 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1xfd h LYS 583 CO -0.10 0.52 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.04 1xfd h LYS 584 N 0.77 -0.10 -1.00 3.15 3.64 0.04 -2.73 116.57 120.35 1xfd h LYS 584 Ca 0.21 0.01 0.34 0.00 -1.27 0.00 0.00 60.65 59.94 1xfd h LYS 584 Cb -0.06 0.02 -0.16 0.00 -0.41 0.00 0.00 32.23 31.63 1xfd h LYS 584 CO -0.04 -0.07 0.53 0.00 -2.27 0.00 0.00 179.45 177.60 1xfd h ALA 585 N -1.91 1.96 -0.54 5.00 0.00 -1.10 0.35 119.26 123.01 1xfd h ALA 585 Ca -0.01 0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 1xfd h ALA 585 Cb 0.08 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1xfd h ALA 585 CO 0.02 -0.67 0.01 0.97 0.00 0.00 0.00 179.25 179.58 1xfd h ILE 586 N 0.23 1.26 0.00 0.00 2.10 -0.93 -2.57 117.51 117.60 1xfd h ILE 586 Ca 0.75 -1.10 0.00 0.00 1.08 0.00 0.00 64.86 65.59 1xfd h ILE 586 Cb 1.79 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 38.41 1xfd h ILE 586 CO -0.66 0.39 0.00 0.59 -1.08 0.00 0.00 178.15 177.39 1xfd n ASN 587 N -4.27 0.00 -0.73 2.19 3.02 0.12 -1.46 115.26 114.12 1xfd n ASN 587 Ca 0.02 0.40 0.13 0.00 -0.03 0.00 0.00 54.58 55.10 1xfd n ASN 587 Cb 0.32 -0.45 0.23 0.00 -0.61 0.00 0.00 39.78 39.28 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 -1.45 2.36 -4.38 6.41 10.43 -0.97 -4.94 116.55 124.01 1xfd n ASP 588 Ca 0.04 -1.75 -0.25 0.00 2.57 0.00 0.00 54.79 55.40 1xfd n ASP 588 Cb 0.15 0.05 -0.12 0.00 1.84 0.00 0.00 41.12 43.04 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 -2.07 1.38 -1.43 -1.24 3.52 -0.54 -4.00 118.95 114.58 1xfd s ARG 589 Ca 0.30 -1.42 -0.13 0.00 -0.13 0.00 0.00 55.73 54.34 1xfd s ARG 589 Cb 0.20 -1.66 -0.01 0.00 -1.56 0.00 0.00 34.95 31.92 1xfd s ARG 589 CO 0.35 0.36 2.39 1.04 -0.81 0.00 0.00 175.30 178.63 1xfd n GLN 590 N 0.48 2.94 -1.65 5.12 6.02 -0.84 -4.96 117.38 124.49 1xfd n GLN 590 Ca -0.14 -2.39 -0.44 0.00 -0.01 0.00 0.00 57.00 54.01 1xfd n GLN 590 Cb 0.55 -3.10 -0.02 0.00 1.02 0.00 0.00 30.24 28.70 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 5.45 1.83 -1.13 -1.09 2.81 -1.26 -4.73 117.12 119.00 1xfd n MET 591 Ca 0.59 0.64 -0.34 0.00 -1.81 0.00 0.00 57.70 56.78 1xfd n MET 591 Cb 0.34 -2.17 0.12 0.00 -0.71 0.00 0.00 33.22 30.80 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 0.98 0.22 -3.55 0.03 -0.04 -1.26 -4.42 135.00 126.96 1xfd n PRO 592 Ca 0.08 0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 63.31 1xfd n PRO 592 Cb 0.33 -2.41 -0.09 0.00 -0.04 0.00 0.00 33.50 31.28 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 -4.03 4.05 0.53 0.54 2.20 0.33 -4.84 119.74 118.52 1xfd s LYS 593 Ca 0.73 -0.15 -0.14 0.00 -0.36 0.00 0.00 55.97 56.05 1xfd s LYS 593 Cb -0.30 -3.59 -0.06 0.00 -1.51 0.00 0.00 37.83 32.37 1xfd s LYS 593 CO 0.51 -0.07 0.97 0.08 -0.36 0.00 0.00 175.35 176.47 1xfd s VAL 594 N 1.45 4.63 -0.30 4.02 1.01 -1.26 -0.20 120.40 129.75 1xfd s VAL 594 Ca 0.11 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.96 1xfd s VAL 594 Cb -0.15 -3.77 0.14 0.00 0.00 0.00 0.00 36.38 32.60 1xfd s VAL 594 CO 0.08 -0.82 0.85 -1.61 0.00 0.00 0.00 175.10 173.60 1xfd s GLU 595 N -4.41 0.43 -0.12 2.72 2.02 -0.87 -4.91 118.70 113.56 1xfd s GLU 595 Ca 0.56 0.99 -0.05 0.00 0.02 0.00 0.00 54.97 56.49 1xfd s GLU 595 Cb -0.10 0.50 -0.04 0.00 0.10 0.00 0.00 34.13 34.58 1xfd s GLU 595 CO 0.39 -0.13 0.08 0.71 0.02 0.00 0.00 175.26 176.33 1xfd s TYR 596 N 2.35 3.40 -0.42 1.61 1.51 -1.26 0.56 117.35 125.10 1xfd s TYR 596 Ca -0.05 0.35 0.07 0.00 -1.01 0.00 0.00 57.07 56.43 1xfd s TYR 596 Cb -0.07 -1.92 0.23 0.00 -0.11 0.00 0.00 41.96 40.09 1xfd s TYR 596 CO -0.18 0.56 0.58 -2.13 -1.11 0.00 0.00 175.55 173.27 1xfd n ARG 597 N 2.30 0.64 -1.65 -0.62 0.63 -0.98 -4.99 116.66 111.99 1xfd n ARG 597 Ca -0.19 -2.86 -0.58 0.00 -0.92 0.00 0.00 57.85 53.30 1xfd n ARG 597 Cb 0.54 -1.34 -0.07 0.00 0.45 0.00 0.00 32.46 32.04 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 1.72 1.60 -2.17 6.15 9.92 -1.26 -4.25 116.55 128.27 1xfd n ASP 598 Ca 0.20 1.12 -0.02 0.00 -0.53 0.00 0.00 54.79 55.56 1xfd n ASP 598 Cb 0.54 -1.08 -0.00 0.00 -0.64 0.00 0.00 41.12 39.95 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 3.42 0.00 -3.61 0.53 0.00 0.20 -4.90 119.36 115.01 1xfd n ILE 599 Ca 0.24 -0.14 -0.10 0.00 0.00 0.00 0.00 62.75 62.75 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 -2.13 0.54 -0.08 9.51 -1.05 -1.26 0.85 118.70 125.07 1xfd s GLU 600 Ca 0.01 0.39 -0.01 0.00 -0.15 0.00 0.00 54.97 55.22 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 0.01 -0.11 -0.02 0.42 0.95 0.00 0.00 175.26 176.51 1xfd s ILE 601 N -0.35 0.51 0.00 1.83 1.01 -0.45 -4.93 121.20 118.83 1xfd s ILE 601 Ca 0.01 0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.69 1xfd s ILE 601 Cb -0.03 -0.63 0.00 0.00 0.01 0.00 0.00 42.46 41.81 1xfd s ILE 601 CO -0.03 0.28 0.00 0.47 0.00 0.00 0.00 174.94 175.66 1xfd n ASP 602 N 5.04 -1.92 -0.43 3.58 9.92 -1.26 -2.74 116.55 128.74 1xfd n ASP 602 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 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 -2.18 0.36 -4.36 -2.24 5.75 -1.26 -4.70 116.55 107.92 1xfd n ASP 603 Ca 0.00 -0.83 -0.31 0.00 -0.01 0.00 0.00 54.79 53.64 1xfd n ASP 603 Cb 0.00 -0.18 -0.15 0.00 -1.03 0.00 0.00 41.12 39.76 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 -1.15 2.39 -0.26 2.11 1.51 -1.11 -5.11 117.35 115.74 1xfd s TYR 604 Ca 0.00 -0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 55.64 1xfd s TYR 604 Cb 0.00 -1.46 0.01 0.00 -0.11 0.00 0.00 41.96 40.40 1xfd s TYR 604 CO 0.00 0.09 -0.01 0.54 -1.11 0.00 0.00 175.55 175.07 1xfd s ASN 605 N -1.00 4.60 -0.40 2.29 4.22 -1.26 -1.34 114.94 122.05 1xfd s ASN 605 Ca 0.12 -0.67 -0.18 0.00 -2.14 0.00 0.00 52.86 49.98 1xfd s ASN 605 Cb -0.10 -1.76 0.01 0.00 1.28 0.00 0.00 41.25 40.68 1xfd s ASN 605 CO 0.01 -0.12 0.52 -0.76 -2.04 0.00 0.00 177.10 174.71 1xfd s LEU 606 N 1.43 4.58 0.67 3.54 1.43 0.25 -4.84 118.68 125.74 1xfd s LEU 606 Ca 0.03 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.60 1xfd s LEU 606 Cb -0.16 -2.54 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1xfd s LEU 606 CO -0.02 -0.60 1.21 -2.84 0.23 0.00 0.00 176.35 174.34 1xfd s PRO 607 N 2.41 2.51 -0.29 1.29 0.02 -1.26 -0.63 135.00 139.05 1xfd s PRO 607 Ca 0.17 1.79 0.01 0.00 0.02 0.00 0.00 61.00 62.99 1xfd s PRO 607 Cb -0.16 -1.87 0.19 0.00 0.02 0.00 0.00 34.50 32.68 1xfd s PRO 607 CO 0.15 -1.56 0.67 0.00 -0.33 0.00 0.00 177.00 175.93 1xfd s MET 608 N -3.67 0.50 0.22 5.54 0.23 -1.26 -1.65 119.30 119.21 1xfd s MET 608 Ca 0.76 0.62 -0.23 0.00 -1.03 0.00 0.00 55.69 55.81 1xfd s MET 608 Cb -0.30 0.31 -0.09 0.00 -1.53 0.00 0.00 34.83 33.23 1xfd s MET 608 CO 0.40 -0.80 0.80 1.14 -2.03 0.00 0.00 175.02 174.53 1xfd s GLN 609 N 2.86 4.46 -0.08 3.16 -2.07 -0.89 -2.32 119.66 124.77 1xfd s GLN 609 Ca 0.14 1.10 0.03 0.00 -1.82 0.00 0.00 55.36 54.81 1xfd s GLN 609 Cb -0.11 -3.02 0.00 0.00 -1.09 0.00 0.00 33.01 28.80 1xfd s GLN 609 CO -0.23 0.44 -0.20 -1.50 -1.32 0.00 0.00 175.29 172.48 1xfd s ILE 610 N -1.39 1.71 -0.25 3.63 1.10 0.19 -1.70 121.20 124.49 1xfd s ILE 610 Ca 0.42 -0.82 -0.10 0.00 -0.51 0.00 0.00 60.65 59.64 1xfd s ILE 610 Cb -0.20 -1.50 -0.05 0.00 0.15 0.00 0.00 42.46 40.87 1xfd s ILE 610 CO 0.24 0.48 0.15 -0.76 -2.11 0.00 0.00 174.94 172.94 1xfd s LEU 611 N 0.43 4.01 -0.06 8.50 1.43 -0.03 -2.05 118.68 130.91 1xfd s LEU 611 Ca -0.17 0.05 -0.01 0.00 -1.03 0.00 0.00 54.13 52.98 1xfd s LEU 611 Cb -0.17 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.93 1xfd s LEU 611 CO 0.07 0.04 -0.00 -0.54 0.23 0.00 0.00 176.35 176.14 1xfd s LYS 612 N 1.22 2.92 0.00 1.70 1.02 0.73 -2.41 119.74 124.92 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 -2.75 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1xfd s LYS 612 CO 0.06 0.68 0.33 -0.35 -0.92 0.00 0.00 175.35 175.15 1xfd n PRO 613 N 1.95 0.00 0.00 -1.68 -0.04 -1.26 0.12 135.00 134.09 1xfd n PRO 613 Ca -0.17 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1xfd n PRO 613 Cb 0.53 -1.81 0.00 0.00 -0.04 0.00 0.00 33.50 32.18 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 -0.83 0.00 -1.89 0.55 0.00 -1.26 -4.54 120.51 112.54 1xfd n ALA 614 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1xfd n ALA 614 Cb 0.31 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.90 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 -1.55 1.75 -2.01 0.00 -2.24 -1.26 -4.95 114.28 104.02 1xfd n THR 615 Ca 0.00 -2.89 -0.42 0.00 -2.27 0.00 0.00 64.05 58.47 1xfd n THR 615 Cb 0.00 -0.03 -0.03 0.00 -2.10 0.00 0.00 70.33 68.17 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 -2.63 2.65 0.00 4.78 5.36 -1.26 -5.02 117.98 121.86 1xfd s PHE 616 Ca 0.38 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.87 1xfd s PHE 616 Cb 0.38 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.19 1xfd s PHE 616 CO -0.08 -3.39 0.00 2.41 -1.46 0.00 0.00 175.22 172.70 1xfd n THR 617 N 4.57 0.00 -0.07 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 0.17 8.00 -0.08 -1.26 -4.91 116.55 118.47 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 -3.80 5.18 2.02 -1.98 -3.41 112.91 110.93 1xfd h THR 619 Ca 0.00 -0.33 -0.56 0.00 0.77 0.00 0.00 66.41 66.29 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 0.25 0.35 0.37 0.00 0.00 175.52 176.49 1xfd n THR 620 N -4.17 4.04 -4.09 3.16 -2.24 -1.26 -4.93 114.28 104.79 1xfd n THR 620 Ca -0.06 -0.48 -0.34 0.00 -2.27 0.00 0.00 64.05 60.90 1xfd n THR 620 Cb 0.18 -1.25 -0.11 0.00 -2.10 0.00 0.00 70.33 67.05 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 -1.53 3.16 0.18 4.78 0.09 -1.26 -4.62 115.29 116.09 1xfd s HIS 621 Ca 0.78 -0.10 0.06 0.00 -0.00 0.00 0.00 55.06 55.80 1xfd s HIS 621 Cb -0.39 -2.06 -0.04 0.00 -0.00 0.00 0.00 32.58 30.09 1xfd s HIS 621 CO 0.45 0.03 0.12 0.71 -0.00 0.00 0.00 174.74 176.05 1xfd s TYR 622 N 0.53 3.09 0.36 1.40 1.51 -0.79 -4.79 117.35 118.66 1xfd s TYR 622 Ca 0.01 -0.05 -0.20 0.00 -1.01 0.00 0.00 57.07 55.82 1xfd s TYR 622 Cb -0.13 -1.47 -0.10 0.00 -0.11 0.00 0.00 41.96 40.15 1xfd s TYR 622 CO 0.02 0.52 0.87 -1.25 -1.11 0.00 0.00 175.55 174.60 1xfd s PRO 623 N -3.20 4.24 -0.20 -1.71 0.04 -1.26 -2.04 135.00 130.86 1xfd s PRO 623 Ca 0.31 1.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.28 1xfd s PRO 623 Cb -0.10 -2.42 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 1xfd s PRO 623 CO 0.23 0.11 0.09 -1.17 0.04 0.00 0.00 177.00 176.30 1xfd s LEU 624 N -2.82 3.90 -0.34 -3.56 1.98 0.97 -2.54 118.68 116.27 1xfd s LEU 624 Ca 0.56 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 0.06 -0.22 -1.89 0.00 0.00 176.35 174.61 1xfd s LEU 625 N 0.58 4.71 -0.35 -0.68 2.96 -0.39 0.35 118.68 125.86 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 1.01 -0.22 -1.32 0.00 0.00 176.35 175.44 1xfd s LEU 626 N 0.98 3.93 -0.41 -0.68 0.20 0.13 -1.58 118.68 121.26 1xfd s LEU 626 Ca 0.08 0.83 -0.10 0.00 0.69 0.00 0.00 54.13 55.62 1xfd s LEU 626 Cb -0.20 -3.42 0.06 0.00 -0.43 0.00 0.00 46.19 42.20 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 3.62 4.42 -0.08 1.68 1.01 -0.76 -0.97 120.40 129.31 1xfd s VAL 627 Ca 0.42 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1xfd s VAL 627 Cb -0.12 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1xfd s VAL 627 CO 0.18 -0.43 -0.09 0.54 0.00 0.00 0.00 175.10 175.30 1xfd s VAL 628 N 1.48 3.47 0.00 2.92 0.11 0.02 -4.48 120.40 123.92 1xfd s VAL 628 Ca 0.03 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.52 1xfd s VAL 628 Cb -0.22 -2.42 0.00 0.00 -1.53 0.00 0.00 36.38 32.21 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 2.60 0.00 -0.26 3.54 2.03 -1.26 -4.14 116.55 119.06 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 3.56 0.64 3.71 0.27 0.00 -1.26 -3.02 105.19 109.09 1xfd n GLY 630 Ca 0.00 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.10 3.05 0.04 2.61 2.01 -1.26 -4.87 115.64 115.13 1xfd s THR 631 Ca 0.00 0.70 -0.34 0.00 0.31 0.00 0.00 61.69 62.36 1xfd s THR 631 Cb 0.00 -3.45 -0.13 0.00 0.01 0.00 0.00 72.50 68.93 1xfd s THR 631 CO 0.00 0.04 1.71 -0.81 -0.69 0.00 0.00 174.62 174.87 1xfd n PRO 632 N 4.37 2.13 0.00 4.92 -0.04 -1.26 -1.35 135.00 143.76 1xfd n PRO 632 Ca 0.13 0.77 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1xfd n PRO 632 Cb 0.41 -2.58 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 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 3.86 2.77 2.12 0.55 0.00 0.24 -4.97 105.19 109.75 1xfd n GLY 633 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.24 -3.67 1.61 3.41 -0.46 -3.04 113.62 110.24 1xfd n SER 634 Ca 0.00 -0.99 -0.12 0.00 -0.26 0.00 0.00 58.87 57.50 1xfd n SER 634 Cb 0.00 -0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 63.23 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 -4.53 0.21 -0.01 4.33 0.74 -1.26 -0.49 119.66 118.65 1xfd s GLN 635 Ca 0.43 0.82 0.22 0.00 0.05 0.00 0.00 55.36 56.88 1xfd s GLN 635 Cb -0.03 0.07 -0.28 0.00 1.10 0.00 0.00 33.01 33.86 1xfd s GLN 635 CO 0.32 -0.27 0.61 0.43 -0.55 0.00 0.00 175.29 175.83 1xfd n SER 636 N 5.28 0.24 -4.21 6.67 7.64 -1.26 -4.81 113.62 123.16 1xfd n SER 636 Ca -0.08 -0.14 -0.41 0.00 1.01 0.00 0.00 58.87 59.25 1xfd n SER 636 Cb 0.50 1.68 -0.08 0.00 -1.01 0.00 0.00 64.21 65.30 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 -3.41 4.20 0.06 0.44 1.01 -1.26 -4.92 120.40 116.52 1xfd s VAL 637 Ca -0.04 -1.79 -0.10 0.00 0.00 0.00 0.00 61.98 60.05 1xfd s VAL 637 Cb 0.14 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.76 1xfd s VAL 637 CO 0.89 -0.77 0.22 0.00 0.00 0.00 0.00 175.10 175.44 1xfd s ALA 638 N 1.36 -0.39 -0.20 5.51 0.00 -1.26 -4.49 121.76 122.29 1xfd s ALA 638 Ca 0.06 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.66 1xfd s ALA 638 Cb -0.26 0.38 0.15 0.00 0.00 0.00 0.00 23.12 23.39 1xfd s ALA 638 CO -0.01 -0.44 1.93 0.39 0.00 0.00 0.00 175.76 177.64 1xfd n GLU 639 N 0.35 1.51 -2.27 0.00 1.02 -0.36 -4.92 120.64 115.98 1xfd n GLU 639 Ca -0.17 -1.02 -0.29 0.00 -0.02 0.00 0.00 57.16 55.66 1xfd n GLU 639 Cb 0.60 -1.40 0.02 0.00 -0.02 0.00 0.00 31.44 30.64 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 -1.18 3.30 -0.44 3.49 1.02 -1.26 -1.73 119.74 122.93 1xfd s LYS 640 Ca 0.20 0.33 -0.19 0.00 0.02 0.00 0.00 55.97 56.33 1xfd s LYS 640 Cb 0.16 -2.22 0.03 0.00 -0.52 0.00 0.00 37.83 35.28 1xfd s LYS 640 CO 0.00 -0.55 0.54 0.12 -0.92 0.00 0.00 175.35 174.54 1xfd s PHE 641 N -3.01 3.12 0.04 3.18 5.36 0.64 -4.78 117.98 122.52 1xfd s PHE 641 Ca 0.53 -0.29 0.04 0.00 -0.96 0.00 0.00 56.93 56.24 1xfd s PHE 641 Cb -0.11 -3.15 -0.02 0.00 -0.34 0.00 0.00 43.02 39.40 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 2.45 0.80 -0.15 10.12 2.02 -1.26 -4.90 118.70 127.77 1xfd s GLU 642 Ca 0.16 -0.70 -0.04 0.00 0.02 0.00 0.00 54.97 54.41 1xfd s GLU 642 Cb -0.16 -0.76 0.06 0.00 0.10 0.00 0.00 34.13 33.36 1xfd s GLU 642 CO 0.15 0.18 0.10 0.14 0.02 0.00 0.00 175.26 175.86 1xfd s VAL 643 N -0.87 -0.12 0.00 2.63 -7.23 -1.26 -4.97 120.40 108.57 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 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.35 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 0.20 0.25 4.85 3.41 -1.26 -4.98 113.62 121.38 1xfd n SER 644 Ca -0.06 -0.69 0.17 0.00 -0.26 0.00 0.00 58.87 58.03 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 0.69 0.00 -0.33 7.33 0.09 -2.00 0.41 115.95 122.14 1xfd h TRP 645 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 58.89 58.86 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 -0.26 0.93 0.09 0.00 0.00 178.44 179.20 1xfd h GLU 646 N 0.00 0.76 -0.63 0.12 5.08 -1.99 -1.23 114.58 116.69 1xfd h GLU 646 Ca 0.00 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1xfd h GLU 646 Cb 0.05 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1xfd h GLU 646 CO 0.00 1.00 0.37 1.15 -1.00 0.00 0.00 179.01 180.53 1xfd h THR 647 N 0.53 1.04 -0.64 1.13 2.02 -1.29 -0.99 112.91 114.71 1xfd h THR 647 Ca 0.06 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1xfd h THR 647 Cb 0.82 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1xfd h THR 647 CO 0.07 0.13 0.37 0.58 0.37 0.00 0.00 175.52 177.04 1xfd h VAL 648 N 0.72 1.19 -0.81 3.16 2.07 -1.42 0.17 116.25 121.34 1xfd h VAL 648 Ca 0.26 -0.46 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1xfd h VAL 648 Cb 0.08 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1xfd h VAL 648 CO -0.13 0.21 0.43 0.24 0.02 0.00 0.00 177.57 178.33 1xfd h MET 649 N 0.88 1.13 0.03 1.57 2.07 -0.36 0.19 114.93 120.45 1xfd h MET 649 Ca 0.23 -0.14 -0.00 0.00 -2.07 0.00 0.00 59.70 57.72 1xfd h MET 649 Cb 0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 31.60 29.51 1xfd h MET 649 CO -0.04 0.84 -0.02 0.28 1.07 0.00 0.00 176.91 179.05 1xfd h VAL 650 N 1.14 1.40 0.00 -2.22 2.07 -0.88 -2.50 116.25 115.25 1xfd h VAL 650 Ca 0.28 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1xfd h VAL 650 Cb 0.05 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1xfd h VAL 650 CO -0.04 0.41 0.00 -0.24 0.02 0.00 0.00 177.57 177.71 1xfd n SER 651 N -4.76 0.00 0.24 0.57 2.88 0.58 -1.65 113.62 111.49 1xfd n SER 651 Ca -0.09 0.67 0.11 0.00 -1.33 0.00 0.00 58.87 58.23 1xfd n SER 651 Cb 0.34 -0.34 0.62 0.00 -0.75 0.00 0.00 64.21 64.09 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 -0.71 -3.22 113.55 106.18 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 0.17 -0.05 1.41 -1.14 0.00 0.00 176.83 177.22 1xfd n HIS 653 N -3.69 0.00 -2.97 3.45 8.25 -1.09 -5.03 115.22 114.15 1xfd n HIS 653 Ca -0.02 -0.64 -0.21 0.00 -0.26 0.00 0.00 57.72 56.60 1xfd n HIS 653 Cb 0.29 -0.09 0.02 0.00 1.12 0.00 0.00 29.99 31.33 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 -0.84 0.11 3.17 -1.41 0.00 -0.66 -4.88 105.19 100.68 1xfd n GLY 654 Ca 0.07 0.62 -0.11 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.36 -0.21 4.61 0.00 -1.09 -4.59 121.76 119.05 1xfd s ALA 655 Ca 0.21 -0.25 -0.09 0.00 0.00 0.00 0.00 51.96 51.82 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 0.46 -0.34 0.12 0.14 0.00 0.00 0.00 175.76 176.15 1xfd s VAL 656 N -2.37 5.22 -0.04 0.00 -7.23 -1.05 -4.08 120.40 110.84 1xfd s VAL 656 Ca -0.07 0.13 -0.02 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 33.49 1xfd s VAL 656 CO -0.03 0.41 0.10 0.68 -0.31 0.00 0.00 175.10 175.95 1xfd s VAL 657 N 0.61 4.95 -0.07 1.32 -7.23 -1.01 -1.26 120.40 117.70 1xfd s VAL 657 Ca 0.07 -0.20 0.03 0.00 -1.81 0.00 0.00 61.98 60.06 1xfd s VAL 657 Cb -0.12 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.61 1xfd s VAL 657 CO 0.01 0.45 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.41 1xfd s VAL 658 N -1.13 1.31 0.07 1.32 1.01 -0.61 -0.85 120.40 121.51 1xfd s VAL 658 Ca 0.20 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1xfd s VAL 658 Cb -0.12 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 1xfd s VAL 658 CO 0.11 0.39 -0.25 -0.54 0.00 0.00 0.00 175.10 174.81 1xfd s LYS 659 N 0.60 1.58 -0.10 2.72 1.02 -0.69 -1.84 119.74 123.04 1xfd s LYS 659 Ca -0.15 -1.14 -0.15 0.00 0.02 0.00 0.00 55.97 54.55 1xfd s LYS 659 Cb -0.16 -1.83 0.04 0.00 -0.52 0.00 0.00 37.83 35.36 1xfd s LYS 659 CO 0.05 0.46 0.39 0.00 -0.92 0.00 0.00 175.35 175.33 1xfd s ASP 661 N -0.37 5.24 0.01 0.00 -0.00 -0.66 -4.87 116.67 116.03 1xfd s ASP 661 Ca -0.05 -2.43 0.00 0.00 -0.00 0.00 0.00 52.55 50.07 1xfd s ASP 661 Cb -0.03 -1.84 0.00 0.00 -0.00 0.00 0.00 42.92 41.04 1xfd s ASP 661 CO 0.02 -0.46 0.00 0.61 -0.00 0.00 0.00 175.17 175.34 1xfd n GLY 662 N 4.06 -0.93 3.76 0.21 0.00 -1.26 -4.22 105.19 106.82 1xfd n GLY 662 Ca 0.02 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.02 4.45 0.00 1.61 3.03 -1.26 -1.99 118.95 124.76 1xfd s ARG 663 Ca 0.00 2.07 0.00 0.00 2.03 0.00 0.00 55.73 59.83 1xfd s ARG 663 Cb 0.00 -3.12 0.00 0.00 -1.03 0.00 0.00 34.95 30.80 1xfd s ARG 663 CO 0.00 -0.06 0.00 0.41 -1.13 0.00 0.00 175.30 174.52 1xfd n GLY 664 N 1.03 2.56 3.61 3.88 0.00 -0.80 -4.64 105.19 110.83 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 -1.60 2.25 0.16 1.61 0.01 -0.84 0.79 113.70 116.07 1xfd s SER 665 Ca 0.00 1.97 0.02 0.00 1.31 0.00 0.00 55.95 59.25 1xfd s SER 665 Cb 0.00 -2.49 0.02 0.00 0.21 0.00 0.00 66.02 63.76 1xfd s SER 665 CO 0.00 -3.48 0.18 0.61 0.41 0.00 0.00 173.24 170.95 1xfd n GLY 666 N 0.41 2.33 2.48 3.44 0.00 0.36 -3.92 105.19 110.30 1xfd n GLY 666 Ca 0.09 -2.18 -0.20 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.16 -0.46 -2.75 1.61 3.72 -1.26 -4.82 117.46 112.34 1xfd n PHE 667 Ca 0.03 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.40 1xfd n PHE 667 Cb 0.17 -3.59 0.08 0.00 -0.94 0.00 0.00 39.48 35.20 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 -2.61 1.47 -0.99 -1.08 6.02 -1.26 -4.62 117.38 114.31 1xfd n GLN 668 Ca -0.22 -2.61 0.00 0.00 -0.01 0.00 0.00 57.00 54.16 1xfd n GLN 668 Cb 0.67 -0.78 0.00 0.00 1.02 0.00 0.00 30.24 31.15 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 -3.69 0.32 1.08 0.00 -1.26 -4.19 105.19 96.65 1xfd n GLY 669 Ca -0.01 -0.99 -0.01 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 -0.15 2.61 -1.04 -0.37 -1.79 114.28 111.19 1xfd n THR 670 Ca 0.00 1.95 -0.07 0.00 -2.04 0.00 0.00 64.05 63.89 1xfd n THR 670 Cb 0.23 -2.56 -0.01 0.00 -1.82 0.00 0.00 70.33 66.17 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 -0.22 0.09 -2.82 3.64 -1.84 0.17 116.57 115.59 1xfd h LYS 671 Ca 0.28 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.67 1xfd h LYS 671 Cb 0.48 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1xfd h LYS 671 CO -0.82 -0.15 -0.06 1.25 -2.27 0.00 0.00 179.45 177.40 1xfd h LEU 672 N -0.23 -0.15 -0.18 5.20 5.85 -1.52 -2.99 115.31 121.28 1xfd h LEU 672 Ca 0.19 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1xfd h LEU 672 Cb 0.55 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 1xfd h LEU 672 CO -0.58 -0.10 -0.30 0.25 -0.34 0.00 0.00 178.44 177.36 1xfd h LEU 673 N -0.15 -0.96 0.00 2.25 5.85 -1.07 -2.01 115.31 119.22 1xfd h LEU 673 Ca -0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1xfd h LEU 673 Cb 0.13 0.42 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1xfd h LEU 673 CO 0.00 -0.34 0.00 1.41 -0.34 0.00 0.00 178.44 179.17 1xfd n HIS 674 N -5.40 0.00 0.23 1.25 8.25 -0.02 -3.63 115.22 115.90 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 0.32 -0.28 0.86 0.00 1.12 0.00 0.00 29.99 32.02 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 -0.02 -0.41 4.57 -1.29 -0.95 114.58 116.49 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 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1xfd h GLU 675 CO 0.00 0.00 -0.15 1.33 -1.18 0.00 0.00 179.01 179.01 1xfd n VAL 676 N -3.48 0.00 -1.60 0.32 0.24 -1.24 -4.85 118.33 107.72 1xfd n VAL 676 Ca 0.01 -0.25 -0.55 0.00 -2.04 0.00 0.00 64.34 61.51 1xfd n VAL 676 Cb 0.36 0.74 -0.07 0.00 -1.47 0.00 0.00 33.84 33.40 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 0.08 0.88 -0.79 7.34 3.00 -0.36 0.00 116.66 126.82 1xfd n ARG 677 Ca 0.15 0.32 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 1xfd n ARG 677 Cb 0.41 -1.94 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 2.87 -1.77 -0.21 -0.14 1.74 0.20 -4.67 116.66 114.68 1xfd n ARG 678 Ca 0.21 0.37 0.06 0.00 -0.77 0.00 0.00 57.85 57.71 1xfd n ARG 678 Cb 0.15 -4.51 0.08 0.00 -1.02 0.00 0.00 32.46 27.16 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 0.57 0.88 -1.44 5.56 1.74 0.10 -4.96 116.66 119.10 1xfd n ARG 679 Ca 0.00 -1.93 -0.56 0.00 -0.77 0.00 0.00 57.85 54.59 1xfd n ARG 679 Cb 0.37 -1.10 -0.08 0.00 -1.02 0.00 0.00 32.46 30.63 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 -0.86 0.52 0.00 0.55 7.94 -0.85 -0.37 117.00 123.92 1xfd n LEU 680 Ca 0.09 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 56.04 1xfd n LEU 680 Cb 0.64 -0.80 0.00 0.00 0.53 0.00 0.00 43.42 43.79 1xfd n LEU 680 CO 0.01 -1.24 0.00 0.61 -1.11 0.00 0.00 177.39 175.66 1xfd n GLY 681 N 2.41 2.16 0.04 -3.96 0.00 -1.26 -4.79 105.19 99.80 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 0.41 0.99 5.85 -1.10 -3.32 115.31 118.14 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 0.38 -0.31 -0.07 -0.34 0.00 0.00 178.44 178.10 1xfd h LEU 683 N -0.55 -0.80 -1.49 2.25 3.38 -1.91 -1.85 115.31 114.34 1xfd h LEU 683 Ca 0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1xfd h LEU 683 Cb 0.20 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1xfd h LEU 683 CO 0.00 -0.46 0.60 1.05 0.09 0.00 0.00 178.44 179.72 1xfd h GLU 684 N -0.71 0.00 -0.18 1.13 9.09 -1.82 0.82 114.58 122.90 1xfd h GLU 684 Ca -0.04 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.26 1xfd h GLU 684 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 1xfd h GLU 684 CO 0.00 0.00 -0.32 1.05 0.05 0.00 0.00 179.01 179.79 1xfd h GLU 685 N 0.00 0.54 0.04 1.06 -0.00 -1.43 -1.64 114.58 113.14 1xfd h GLU 685 Ca 0.11 -0.34 -0.00 0.00 -0.00 0.00 0.00 59.36 59.13 1xfd h GLU 685 Cb 1.30 0.04 0.00 0.00 -0.00 0.00 0.00 28.75 30.09 1xfd h GLU 685 CO -0.00 0.94 -0.02 0.87 -0.00 0.00 0.00 179.01 180.81 1xfd h LYS 686 N 0.19 -0.05 -0.90 1.06 1.57 0.63 0.86 116.57 119.94 1xfd h LYS 686 Ca 0.01 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1xfd h LYS 686 Cb 0.91 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 33.16 1xfd h LYS 686 CO 0.07 0.39 0.54 -0.44 -0.57 0.00 0.00 179.45 179.44 1xfd h ASP 687 N -0.50 0.79 -0.12 0.86 5.19 -1.17 0.33 116.42 121.80 1xfd h ASP 687 Ca -0.01 0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.37 1xfd h ASP 687 Cb 0.46 -0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.86 1xfd h ASP 687 CO 0.01 0.44 -0.25 1.56 -3.12 0.00 0.00 179.24 177.87 1xfd h GLN 688 N 0.89 0.38 -0.43 3.56 1.08 -1.25 -2.50 115.11 116.84 1xfd h GLN 688 Ca 0.44 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 1xfd h GLN 688 Cb 0.40 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1xfd h GLN 688 CO -0.25 0.86 0.23 0.52 -0.95 0.00 0.00 178.83 179.24 1xfd h MET 689 N -0.04 0.59 -0.35 1.46 2.86 -0.14 -1.24 114.93 118.07 1xfd h MET 689 Ca 0.00 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.47 1xfd h MET 689 Cb 0.85 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.37 1xfd h MET 689 CO 0.06 0.44 -0.24 1.49 1.06 0.00 0.00 176.91 179.71 1xfd h GLU 690 N 0.60 0.70 0.00 1.72 4.57 -0.30 0.26 114.58 122.12 1xfd h GLU 690 Ca 0.15 -0.28 -0.11 0.00 -1.18 0.00 0.00 59.36 57.95 1xfd h GLU 690 Cb 0.02 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1xfd h GLU 690 CO -0.03 0.87 -0.50 0.00 -1.18 0.00 0.00 179.01 178.18 1xfd h ALA 691 N 1.12 1.10 -0.08 2.92 0.00 -0.89 -2.09 119.26 121.34 1xfd h ALA 691 Ca 0.08 -0.46 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 1xfd h ALA 691 Cb 0.73 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xfd h ALA 691 CO 0.06 0.63 -0.31 0.28 0.00 0.00 0.00 179.25 179.91 1xfd h VAL 692 N 0.00 1.42 0.37 0.00 2.07 -0.78 -2.99 116.25 116.34 1xfd h VAL 692 Ca -0.01 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.82 1xfd h VAL 692 Cb 0.93 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1xfd h VAL 692 CO 0.07 0.49 -0.31 0.03 0.02 0.00 0.00 177.57 177.87 1xfd h ARG 693 N -0.13 -0.66 -0.01 1.57 -0.00 -0.81 0.21 114.38 114.54 1xfd h ARG 693 Ca -0.02 0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.51 1xfd h ARG 693 Cb 0.95 0.15 -0.00 0.00 0.00 0.00 0.00 29.97 31.07 1xfd h ARG 693 CO 0.06 -0.44 0.11 1.79 0.00 0.00 0.00 179.97 181.49 1xfd h THR 694 N -0.69 0.04 0.00 2.04 1.35 -1.48 0.28 112.91 114.46 1xfd h THR 694 Ca -0.03 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.57 1xfd h THR 694 Cb 0.60 0.90 -0.04 0.00 -1.73 0.00 0.00 68.15 67.87 1xfd h THR 694 CO -0.02 0.00 -1.55 -0.03 -0.25 0.00 0.00 175.52 173.67 1xfd h MET 695 N 0.00 0.00 0.00 4.72 -1.53 -1.17 -3.32 114.93 113.64 1xfd h MET 695 Ca 0.00 0.00 -0.11 0.00 -3.44 0.00 0.00 59.70 56.16 1xfd h MET 695 Cb 0.22 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.25 1xfd h MET 695 CO -0.00 0.52 -0.51 -0.07 0.14 0.00 0.00 176.91 176.99 1xfd h LEU 696 N 0.00 0.00 -1.13 3.39 4.07 0.27 -3.12 115.31 118.80 1xfd h LEU 696 Ca -0.23 0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.75 1xfd h LEU 696 Cb 1.90 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 43.59 1xfd h LEU 696 CO 0.08 0.51 0.59 0.11 -1.08 0.00 0.00 178.44 178.65 1xfd h LYS 697 N 0.00 1.17 -6.81 1.13 1.57 -1.34 -3.44 116.57 108.85 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 0.92 -0.26 0.22 0.00 0.08 0.00 0.00 32.23 33.19 1xfd h LYS 697 CO 0.07 0.77 -0.63 0.39 -0.57 0.00 0.00 179.45 179.48 1xfd n GLU 698 N -4.40 -0.76 -0.00 3.15 -0.58 -1.18 -4.93 120.64 111.94 1xfd n GLU 698 Ca 0.10 -0.18 0.10 0.00 -0.42 0.00 0.00 57.16 56.76 1xfd n GLU 698 Cb 0.03 -1.86 -0.12 0.00 -0.57 0.00 0.00 31.44 28.91 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 -2.12 0.02 -0.53 3.49 -0.06 -1.26 -4.23 117.38 112.69 1xfd n GLN 699 Ca 0.05 -0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 55.01 1xfd n GLN 699 Cb 0.56 -1.50 0.14 0.00 -4.06 0.00 0.00 30.24 25.38 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 1.27 -3.74 3.69 0.18 -1.26 -4.72 117.16 111.07 1xfd n TYR 700 Ca 0.04 -0.76 -0.12 0.00 1.88 0.00 0.00 57.90 58.93 1xfd n TYR 700 Cb 0.34 -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 -1.88 121.20 111.37 1xfd s ILE 701 Ca 0.27 0.06 -0.06 0.00 -0.51 0.00 0.00 60.65 60.42 1xfd s ILE 701 Cb 0.22 -0.45 0.01 0.00 0.61 0.00 0.00 42.46 42.85 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 0.75 4.98 0.41 4.50 -4.77 -0.87 -4.82 116.67 116.85 1xfd s ASP 702 Ca -0.05 -0.67 0.36 0.00 -3.30 0.00 0.00 52.55 48.90 1xfd s ASP 702 Cb -0.06 -1.85 1.28 0.00 -1.09 0.00 0.00 42.92 41.20 1xfd s ASP 702 CO -0.05 -0.16 1.18 -1.14 0.70 0.00 0.00 175.17 175.70 1xfd n ARG 703 N 4.84 -0.00 0.11 2.11 0.63 -1.26 -1.24 116.66 121.84 1xfd n ARG 703 Ca -0.15 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1xfd n ARG 703 Cb 0.48 -1.88 0.31 0.00 0.45 0.00 0.00 32.46 31.82 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 -2.73 5.15 1.35 -1.94 -3.36 112.91 112.63 1xfd h THR 704 Ca 0.70 -1.15 -0.68 0.00 -0.55 0.00 0.00 66.41 64.74 1xfd h THR 704 Cb 2.74 1.45 -0.37 0.00 -1.73 0.00 0.00 68.15 70.24 1xfd h THR 704 CO -0.06 0.35 -0.15 0.54 -0.25 0.00 0.00 175.52 175.94 1xfd n ARG 705 N -4.15 2.93 -4.54 4.72 1.74 -0.38 -4.71 116.66 112.28 1xfd n ARG 705 Ca -0.01 -4.58 -0.33 0.00 -0.77 0.00 0.00 57.85 52.15 1xfd n ARG 705 Cb 0.37 -2.36 -0.14 0.00 -1.02 0.00 0.00 32.46 29.32 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 -2.17 3.27 0.16 1.55 1.01 -1.26 -0.02 120.40 122.93 1xfd s VAL 706 Ca 0.33 -0.57 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1xfd s VAL 706 Cb 0.05 -2.41 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1xfd s VAL 706 CO -0.03 0.50 -0.08 0.00 0.00 0.00 0.00 175.10 175.49 1xfd s ALA 707 N 0.56 1.47 0.02 5.51 0.00 0.15 -0.15 121.76 129.32 1xfd s ALA 707 Ca -0.06 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.39 1xfd s ALA 707 Cb -0.15 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 1xfd s ALA 707 CO 0.03 -0.13 -0.05 0.54 0.00 0.00 0.00 175.76 176.15 1xfd s VAL 708 N -3.36 0.33 -0.00 0.00 0.11 -0.98 0.21 120.40 116.71 1xfd s VAL 708 Ca 0.18 -0.58 -0.04 0.00 -2.93 0.00 0.00 61.98 58.61 1xfd s VAL 708 Cb 0.03 -0.36 -0.00 0.00 -1.53 0.00 0.00 36.38 34.52 1xfd s VAL 708 CO 0.01 -0.17 0.09 0.12 -3.33 0.00 0.00 175.10 171.82 1xfd s PHE 709 N -0.73 0.05 -0.12 1.54 2.19 -0.15 -1.10 117.98 119.66 1xfd s PHE 709 Ca -0.05 -0.12 -0.30 0.00 0.33 0.00 0.00 56.93 56.79 1xfd s PHE 709 Cb -0.06 -0.06 0.10 0.00 -1.31 0.00 0.00 43.02 41.69 1xfd s PHE 709 CO -0.00 -0.20 0.83 0.20 1.83 0.00 0.00 175.22 177.88 1xfd s GLY 710 N -1.00 -0.42 0.08 13.12 0.00 -0.94 -0.80 107.32 117.35 1xfd s GLY 710 Ca -0.11 1.74 0.07 0.00 0.00 0.00 0.00 44.72 46.43 1xfd s GLY 710 CO 0.01 1.10 -0.19 -1.59 0.00 0.00 0.00 173.10 172.43 1xfd s LYS 711 N -0.96 1.09 7.92 2.90 0.00 -1.25 -1.39 119.74 128.05 1xfd s LYS 711 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 55.97 54.87 1xfd s LYS 711 Cb -0.01 -1.25 0.00 0.00 0.00 0.00 0.00 37.83 36.57 1xfd s LYS 711 CO 0.05 0.30 0.00 -0.25 0.00 0.00 0.00 175.35 175.45 1xfd n ASP 712 N 1.33 0.00 0.27 0.03 10.43 -0.00 0.22 116.55 128.83 1xfd n ASP 712 Ca -0.19 0.00 0.14 0.00 2.57 0.00 0.00 54.79 57.31 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 0.69 116.97 122.07 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 -0.47 0.78 -1.32 0.00 0.00 178.16 177.25 1xfd h GLY 714 N 0.94 0.00 1.76 1.82 0.00 -0.14 -2.29 103.07 105.17 1xfd h GLY 714 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1xfd h GLY 714 CO 0.01 0.00 -0.61 -1.33 0.00 0.00 0.00 176.54 174.61 1xfd h GLY 715 N 1.76 0.27 0.84 4.60 0.00 -0.65 0.20 103.07 110.09 1xfd h GLY 715 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 1xfd h GLY 715 CO 0.06 0.30 -0.10 -1.82 0.00 0.00 0.00 176.54 174.99 1xfd h TYR 716 N 0.18 -0.26 -0.57 5.60 5.03 -1.03 -0.64 116.97 125.28 1xfd h TYR 716 Ca -0.01 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.28 1xfd h TYR 716 Cb 1.12 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 39.46 1xfd h TYR 716 CO 0.02 -0.04 0.27 -0.07 -1.32 0.00 0.00 178.16 177.03 1xfd h LEU 717 N -0.45 0.75 -0.35 2.82 3.38 -1.37 -0.61 115.31 119.48 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 0.34 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.83 1xfd h LEU 717 CO 0.05 0.67 -0.12 -1.28 0.09 0.00 0.00 178.44 177.85 1xfd h SER 718 N 0.78 -0.42 1.30 -0.43 0.87 -0.40 0.13 113.55 115.36 1xfd h SER 718 Ca 0.20 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1xfd h SER 718 Cb 0.12 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1xfd h SER 718 CO -0.02 -0.15 0.00 0.35 -0.53 0.00 0.00 176.83 176.47 1xfd n THR 719 N -5.31 0.62 0.08 2.23 -2.24 -0.27 -2.87 114.28 106.52 1xfd n THR 719 Ca 0.01 -0.16 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 1xfd n THR 719 Cb 0.22 -0.70 -0.07 0.00 -2.10 0.00 0.00 70.33 67.68 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 0.14 -0.79 4.78 5.03 0.63 -3.35 116.97 123.41 1xfd h TYR 720 Ca 0.00 -0.09 -0.43 0.00 2.58 0.00 0.00 58.73 60.79 1xfd h TYR 720 Cb 0.65 -0.01 -0.17 0.00 1.55 0.00 0.00 36.73 38.75 1xfd h TYR 720 CO 0.00 1.00 0.46 -0.89 -1.32 0.00 0.00 178.16 177.41 1xfd n ILE 721 N -3.49 3.09 -3.60 1.81 5.41 0.24 -4.70 119.36 118.11 1xfd n ILE 721 Ca -0.02 -2.36 -0.29 0.00 1.00 0.00 0.00 62.75 61.08 1xfd n ILE 721 Cb 0.89 -1.42 -0.09 0.00 -0.71 0.00 0.00 39.64 38.31 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 0.44 3.64 0.00 1.39 4.32 -1.26 -4.93 117.00 120.60 1xfd n LEU 722 Ca 0.41 -5.33 0.00 0.00 -0.02 0.00 0.00 56.01 51.07 1xfd n LEU 722 Cb 0.57 -0.76 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1xfd n LEU 722 CO 0.40 1.89 0.00 -0.81 -1.22 0.00 0.00 177.39 177.65 1xfd n PRO 723 N 1.39 2.76 -3.67 3.23 -0.04 -1.26 -4.15 135.00 133.26 1xfd n PRO 723 Ca 0.25 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.49 1xfd n PRO 723 Cb 0.38 0.00 -0.18 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 0.41 0.38 0.55 0.00 -1.26 -2.47 121.76 117.37 1xfd s ALA 724 Ca 0.00 -0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 1xfd s ALA 724 Cb 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 23.12 22.23 1xfd s ALA 724 CO 0.00 -0.74 1.22 0.21 0.00 0.00 0.00 175.76 176.45 1xfd s LYS 725 N 2.11 4.11 5.74 0.00 2.47 -1.25 -4.57 119.74 128.35 1xfd s LYS 725 Ca 0.04 1.97 0.00 0.00 -1.56 0.00 0.00 55.97 56.42 1xfd s LYS 725 Cb -0.14 -2.79 0.00 0.00 -1.46 0.00 0.00 37.83 33.44 1xfd s LYS 725 CO -0.05 -0.31 0.00 0.41 0.16 0.00 0.00 175.35 175.56 1xfd n GLY 726 N 0.71 1.15 1.97 5.54 0.00 -1.26 -4.00 105.19 109.30 1xfd n GLY 726 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 12.55 0.00 0.13 1.61 2.13 -1.26 -4.86 120.64 130.93 1xfd n GLU 727 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1xfd n GLU 727 Cb 0.00 -0.00 0.22 0.00 0.27 0.00 0.00 31.44 31.93 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 0.12 -2.15 4.31 2.35 -1.96 -3.00 115.58 115.25 1xfd h ASN 728 Ca 0.00 -0.06 -0.79 0.00 -0.55 0.00 0.00 56.30 54.90 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 0.60 1.02 1.67 -1.65 0.00 0.00 177.43 179.06 1xfd n GLN 729 N -3.95 4.41 -1.49 0.81 -0.06 -1.26 -5.01 117.38 110.83 1xfd n GLN 729 Ca -0.02 -4.24 -0.25 0.00 -2.00 0.00 0.00 57.00 50.49 1xfd n GLN 729 Cb 0.52 -2.39 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 -0.24 -1.70 3.14 1.69 0.00 -1.13 -3.90 105.19 103.04 1xfd n GLY 730 Ca 0.49 -1.66 -0.12 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 -3.60 -1.83 0.08 1.61 3.00 -1.26 -4.85 117.38 110.52 1xfd n GLN 731 Ca 0.14 1.62 -0.15 0.00 -0.01 0.00 0.00 57.00 58.60 1xfd n GLN 731 Cb 0.50 -4.75 -0.08 0.00 0.00 0.00 0.00 30.24 25.91 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 1.15 1.40 -3.20 5.09 2.02 -1.77 -3.46 112.91 114.14 1xfd h THR 732 Ca -0.17 -2.55 -0.64 0.00 0.77 0.00 0.00 66.41 63.83 1xfd h THR 732 Cb 1.11 2.55 -0.13 0.00 -1.74 0.00 0.00 68.15 69.94 1xfd h THR 732 CO 0.26 0.76 -0.69 -0.36 0.37 0.00 0.00 175.52 175.86 1xfd s PHE 733 N -3.12 2.81 -0.21 3.16 0.40 -1.26 -4.60 117.98 115.16 1xfd s PHE 733 Ca -0.06 -0.14 -0.08 0.00 -0.60 0.00 0.00 56.93 56.05 1xfd s PHE 733 Cb 0.08 -1.41 -0.19 0.00 0.51 0.00 0.00 43.02 42.01 1xfd s PHE 733 CO 0.88 0.48 -0.00 2.41 0.70 0.00 0.00 175.22 179.69 1xfd n THR 734 N 0.29 1.59 -3.69 0.64 -1.04 0.79 -4.68 114.28 108.19 1xfd n THR 734 Ca -0.11 -0.46 -0.14 0.00 -2.04 0.00 0.00 64.05 61.30 1xfd n THR 734 Cb 0.54 -1.73 -0.08 0.00 -1.82 0.00 0.00 70.33 67.24 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 -1.39 0.91 -0.07 0.00 0.00 -0.29 -2.31 107.32 104.16 1xfd s GLY 736 Ca -0.12 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.10 1xfd s GLY 736 CO 0.05 -1.29 0.30 -0.45 0.00 0.00 0.00 173.10 171.71 1xfd s SER 737 N -3.04 -0.25 -0.06 1.64 0.15 -0.26 -1.94 113.70 109.94 1xfd s SER 737 Ca 0.23 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.27 1xfd s SER 737 Cb 0.07 0.49 0.02 0.00 -1.71 0.00 0.00 66.02 64.89 1xfd s SER 737 CO 0.01 -0.24 -0.08 0.00 1.20 0.00 0.00 173.24 174.13 1xfd s ALA 738 N -0.46 1.00 -0.30 5.45 0.00 -0.85 -2.21 121.76 124.38 1xfd s ALA 738 Ca -0.06 -0.27 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 1xfd s ALA 738 Cb -0.04 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1xfd s ALA 738 CO 0.02 -0.03 0.15 -1.17 0.00 0.00 0.00 175.76 174.73 1xfd s LEU 739 N 0.95 4.04 -1.18 0.00 2.96 -0.49 -1.32 118.68 123.65 1xfd s LEU 739 Ca -0.10 -0.40 -0.21 0.00 -0.22 0.00 0.00 54.13 53.20 1xfd s LEU 739 Cb -0.15 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.52 1xfd s LEU 739 CO 0.00 -0.16 0.74 -1.20 -1.32 0.00 0.00 176.35 174.42 1xfd n SER 740 N 5.00 -4.59 -4.73 3.68 7.64 0.84 -0.82 113.62 120.63 1xfd n SER 740 Ca -0.14 -1.06 -0.41 0.00 1.01 0.00 0.00 58.87 58.27 1xfd n SER 740 Cb 0.50 -3.11 -0.04 0.00 -1.01 0.00 0.00 64.21 60.55 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 -6.25 4.58 0.01 1.43 0.04 -1.26 -3.11 135.00 130.44 1xfd s PRO 741 Ca 0.43 1.66 -0.22 0.00 0.04 0.00 0.00 61.00 62.90 1xfd s PRO 741 Cb -0.16 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.00 1xfd s PRO 741 CO 0.88 0.03 0.67 -1.50 0.04 0.00 0.00 177.00 177.12 1xfd s ILE 742 N 0.13 4.84 0.00 0.56 1.10 -1.22 -4.39 121.20 122.22 1xfd s ILE 742 Ca 0.51 1.41 0.00 0.00 -0.51 0.00 0.00 60.65 62.06 1xfd s ILE 742 Cb -0.28 -4.01 0.00 0.00 0.15 0.00 0.00 42.46 38.32 1xfd s ILE 742 CO 0.32 0.39 0.46 0.35 -2.11 0.00 0.00 174.94 174.36 1xfd n THR 743 N 2.78 0.21 -3.15 4.00 -2.24 -1.26 -4.09 114.28 110.53 1xfd n THR 743 Ca -0.05 -0.37 0.04 0.00 -2.27 0.00 0.00 64.05 61.41 1xfd n THR 743 Cb 0.51 1.18 -0.00 0.00 -2.10 0.00 0.00 70.33 69.91 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 -0.21 -1.21 0.00 3.42 -1.08 -1.26 -3.16 116.67 113.17 1xfd s ASP 744 Ca 0.00 0.22 0.01 0.00 -0.52 0.00 0.00 52.55 52.26 1xfd s ASP 744 Cb 0.00 1.80 0.04 0.00 -1.46 0.00 0.00 42.92 43.30 1xfd s ASP 744 CO 0.00 -0.22 0.69 0.49 0.52 0.00 0.00 175.17 176.65 1xfd n PHE 745 N 5.34 0.00 0.13 -5.34 3.01 -1.26 0.09 117.46 119.43 1xfd n PHE 745 Ca 0.05 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.52 1xfd n PHE 745 Cb 0.55 -0.16 0.02 0.00 -0.01 0.00 0.00 39.48 39.88 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 -0.31 -1.08 1.57 -1.94 -3.13 116.57 111.68 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 0.58 0.00 1.28 -0.57 0.00 0.00 179.45 180.74 1xfd n LEU 747 N -3.27 3.00 -4.92 2.94 4.77 0.11 -3.64 117.00 115.99 1xfd n LEU 747 Ca 0.02 -1.26 -0.20 0.00 -0.03 0.00 0.00 56.01 54.53 1xfd n LEU 747 Cb 0.75 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1xfd n LEU 747 CO 0.41 0.63 -0.03 -0.47 -1.33 0.00 0.00 177.39 176.60 1xfd s TYR 748 N -1.60 3.13 0.05 -1.77 6.04 -1.18 -4.85 117.35 117.16 1xfd s TYR 748 Ca 0.36 -0.18 -0.37 0.00 0.04 0.00 0.00 57.07 56.92 1xfd s TYR 748 Cb 0.21 -1.76 -0.17 0.00 -1.04 0.00 0.00 41.96 39.21 1xfd s TYR 748 CO 0.30 0.22 1.37 0.00 -1.54 0.00 0.00 175.55 175.90 1xfd n ALA 749 N -1.45 -0.99 -0.15 3.97 0.00 -1.26 -1.16 120.51 119.47 1xfd n ALA 749 Ca -0.04 0.51 -0.12 0.00 0.00 0.00 0.00 53.44 53.80 1xfd n ALA 749 Cb 0.58 -2.08 -0.09 0.00 0.00 0.00 0.00 19.45 17.87 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 4.73 -1.65 -1.34 0.00 4.64 -0.47 -1.45 113.55 118.01 1xfd h SER 750 Ca -0.48 0.22 0.39 0.00 -0.47 0.00 0.00 61.79 61.45 1xfd h SER 750 Cb 1.34 0.68 -0.05 0.00 -0.31 0.00 0.00 62.40 64.06 1xfd h SER 750 CO 0.79 -0.33 1.01 0.00 -0.87 0.00 0.00 176.83 177.43 1xfd h ALA 751 N -0.16 3.25 0.00 5.18 0.00 -1.90 -0.64 119.26 125.00 1xfd h ALA 751 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1xfd h ALA 751 Cb 0.49 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xfd h ALA 751 CO -0.55 -1.70 -0.46 0.35 0.00 0.00 0.00 179.25 176.89 1xfd h PHE 752 N 0.00 0.00 0.24 0.00 3.04 -1.64 -3.32 116.94 115.26 1xfd h PHE 752 Ca 0.64 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.59 1xfd h PHE 752 Cb 2.65 0.00 -0.03 0.00 2.56 0.00 0.00 35.95 41.13 1xfd h PHE 752 CO 0.00 0.24 -0.30 0.77 -2.02 0.00 0.00 178.31 177.01 1xfd h SER 753 N -1.00 -0.82 -0.32 0.41 0.02 -1.05 -2.56 113.55 108.23 1xfd h SER 753 Ca -0.05 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.08 1xfd h SER 753 Cb 0.51 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 1xfd h SER 753 CO -0.03 -0.42 0.23 -0.33 -1.14 0.00 0.00 176.83 175.15 1xfd h GLU 754 N -0.59 0.00 -0.64 3.45 5.08 -1.32 0.56 114.58 121.12 1xfd h GLU 754 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1xfd h GLU 754 Cb 0.57 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.79 1xfd h GLU 754 CO -0.10 0.00 0.23 -0.09 -1.00 0.00 0.00 179.01 178.05 1xfd h ARG 755 N 0.00 0.96 0.00 2.33 2.43 -1.55 0.11 114.38 118.65 1xfd h ARG 755 Ca 0.15 -0.17 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 1xfd h ARG 755 Cb 0.62 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1xfd h ARG 755 CO -0.00 0.80 -2.00 0.66 -1.51 0.00 0.00 179.97 177.92 1xfd n TYR 756 N -4.29 0.00 0.29 2.20 4.01 -0.67 -4.54 117.16 114.15 1xfd n TYR 756 Ca 0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.84 1xfd n TYR 756 Cb 0.19 -0.60 0.05 0.00 -0.31 0.00 0.00 39.34 38.67 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 -2.35 1.92 -0.00 7.72 4.77 0.10 0.60 117.00 129.76 1xfd n LEU 757 Ca -0.13 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.68 1xfd n LEU 757 Cb 0.72 -0.03 -0.00 0.00 -2.33 0.00 0.00 43.42 41.78 1xfd n LEU 757 CO 0.39 0.40 -0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1xfd n GLY 758 N 0.47 -1.99 3.72 -0.72 0.00 0.40 -4.83 105.19 102.24 1xfd n GLY 758 Ca 0.06 -1.50 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 -4.94 3.39 0.00 0.99 1.02 -1.26 -4.32 118.68 113.56 1xfd s LEU 759 Ca 0.00 2.46 0.00 0.00 0.02 0.00 0.00 54.13 56.61 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 -2.23 0.00 1.57 0.02 0.00 0.00 176.35 175.71 1xfd n HIS 760 N -2.51 0.00 0.00 0.29 -0.00 -1.26 -4.18 115.22 107.56 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 0.48 0.90 1.57 0.00 -1.26 -3.41 105.19 108.47 1xfd n GLY 761 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 1.58 -3.04 0.99 7.94 -1.26 -4.82 117.00 118.39 1xfd n LEU 762 Ca 0.00 -0.79 -0.00 0.00 -1.11 0.00 0.00 56.01 54.11 1xfd n LEU 762 Cb 0.00 -0.30 -0.00 0.00 0.53 0.00 0.00 43.42 43.65 1xfd n LEU 762 CO 0.00 0.27 -0.45 -0.67 -1.11 0.00 0.00 177.39 175.43 1xfd n ASP 763 N 0.60 -6.76 0.00 1.96 4.64 -1.22 -4.79 116.55 110.98 1xfd n ASP 763 Ca 0.00 0.76 0.07 0.00 -1.38 0.00 0.00 54.79 54.24 1xfd n ASP 763 Cb 0.27 -2.64 0.41 0.00 -1.04 0.00 0.00 41.12 38.13 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 1.32 0.00 -4.17 1.67 2.85 -1.26 -4.86 115.26 110.81 1xfd n ASN 764 Ca -0.02 -0.27 -0.32 0.00 -0.11 0.00 0.00 54.58 53.86 1xfd n ASN 764 Cb 0.33 -0.10 -0.08 0.00 1.24 0.00 0.00 39.78 41.17 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 -1.10 -0.87 0.00 1.20 -4.01 -1.26 -4.66 116.66 105.96 1xfd n ARG 765 Ca 0.10 0.10 0.00 0.00 -1.04 0.00 0.00 57.85 57.00 1xfd n ARG 765 Cb 0.07 -3.60 0.00 0.00 -3.04 0.00 0.00 32.46 25.89 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 -4.00 1.89 0.88 2.89 0.00 -1.26 -4.43 120.51 116.47 1xfd n ALA 766 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1xfd n ALA 766 Cb 0.54 0.02 0.50 0.00 0.00 0.00 0.00 19.45 20.51 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 -1.45 0.00 -0.11 0.00 4.02 -1.26 -2.45 117.16 115.91 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 38.83 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 -4.05 120.64 114.04 1xfd n GLU 768 Ca 0.07 0.38 0.12 0.00 0.00 0.00 0.00 57.16 57.74 1xfd n GLU 768 Cb 0.22 -1.63 0.38 0.00 0.00 0.00 0.00 31.44 30.41 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 -0.77 0.00 0.00 5.31 2.86 -1.80 -2.95 114.93 117.58 1xfd h MET 769 Ca -0.51 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 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 0.09 -0.03 1.79 1.06 0.00 0.00 176.91 179.58 1xfd h THR 770 N 0.00 0.05 -1.73 2.22 1.35 -1.69 -3.46 112.91 109.65 1xfd h THR 770 Ca -0.00 -1.05 -0.68 0.00 -0.55 0.00 0.00 66.41 64.12 1xfd h THR 770 Cb 0.83 2.01 0.03 0.00 -1.73 0.00 0.00 68.15 69.30 1xfd h THR 770 CO 0.01 0.03 0.74 0.29 -0.25 0.00 0.00 175.52 176.34 1xfd n LYS 771 N -3.11 1.38 0.15 4.72 5.02 -1.12 -4.80 118.16 120.41 1xfd n LYS 771 Ca 0.04 0.50 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 1xfd n LYS 771 Cb 0.54 -2.20 0.54 0.00 -0.02 0.00 0.00 35.03 33.89 1xfd n LYS 771 CO 0.00 0.00 0.00 -0.24 -0.52 0.00 0.00 177.40 176.64 1xfd h VAL 772 N 4.36 0.00 -0.90 -0.18 3.04 -1.87 -3.11 116.25 117.59 1xfd h VAL 772 Ca -0.47 -0.20 0.14 0.00 -1.01 0.00 0.00 66.70 65.16 1xfd h VAL 772 Cb 1.31 0.90 -0.09 0.00 -2.01 0.00 0.00 31.29 31.41 1xfd h VAL 772 CO 0.88 0.00 0.51 0.00 -1.01 0.00 0.00 177.57 177.95 1xfd h ALA 773 N 2.19 1.36 -0.39 3.17 0.00 -1.87 -1.19 119.26 122.52 1xfd h ALA 773 Ca 0.00 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.06 1xfd h ALA 773 Cb 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1xfd h ALA 773 CO 0.00 0.01 0.27 0.45 0.00 0.00 0.00 179.25 179.99 1xfd h HIS 774 N 0.75 0.12 0.22 0.00 3.86 -1.91 -3.05 115.15 115.14 1xfd h HIS 774 Ca 0.47 0.00 -0.30 0.00 -1.16 0.00 0.00 60.37 59.39 1xfd h HIS 774 Cb 0.60 -0.04 0.03 0.00 1.06 0.00 0.00 27.41 29.06 1xfd h HIS 774 CO -0.06 0.06 -1.33 0.00 0.86 0.00 0.00 177.93 177.47 1xfd h ARG 775 N 0.12 0.46 0.00 2.45 2.47 -1.45 -3.31 114.38 115.12 1xfd h ARG 775 Ca 0.18 -0.79 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 1xfd h ARG 775 Cb 0.57 0.29 0.00 0.00 -1.65 0.00 0.00 29.97 29.19 1xfd h ARG 775 CO -0.02 1.38 0.08 -0.39 0.56 0.00 0.00 179.97 181.57 1xfd h VAL 776 N -0.01 0.00 -0.99 2.04 -1.51 -1.47 -1.92 116.25 112.39 1xfd h VAL 776 Ca -0.24 0.00 0.21 0.00 -1.23 0.00 0.00 66.70 65.44 1xfd h VAL 776 Cb 2.02 0.63 -0.10 0.00 -2.13 0.00 0.00 31.29 31.71 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 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1xfd h SER 777 Cb 0.16 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1xfd h SER 777 CO 0.00 0.22 0.00 0.00 -1.14 0.00 0.00 176.83 175.91 1xfd n ALA 778 N -2.38 0.00 -1.38 3.77 0.00 -0.72 -4.93 120.51 114.87 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 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -1.03 -0.02 0.00 4.77 -1.22 -4.97 117.00 114.53 1xfd n LEU 779 Ca 0.00 0.56 -0.05 0.00 -0.03 0.00 0.00 56.01 56.49 1xfd n LEU 779 Cb 0.00 -0.86 -0.02 0.00 -2.33 0.00 0.00 43.42 40.21 1xfd n LEU 779 CO 0.00 -1.14 -0.67 -0.62 -1.33 0.00 0.00 177.39 173.63 1xfd n GLU 780 N 1.82 0.11 0.00 3.23 1.02 -1.26 -4.89 120.64 120.67 1xfd n GLU 780 Ca 0.00 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1xfd n GLU 780 Cb 0.00 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 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 -3.19 0.84 -2.47 3.49 -0.00 -1.26 -4.95 120.64 113.10 1xfd n GLU 781 Ca -0.10 -0.20 -0.36 0.00 -0.00 0.00 0.00 57.16 56.51 1xfd n GLU 781 Cb 0.57 -0.64 -0.03 0.00 -0.00 0.00 0.00 31.44 31.34 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 -0.18 3.89 -0.10 3.44 1.11 -1.26 -4.98 119.66 121.59 1xfd s GLN 782 Ca 0.00 1.52 -0.22 0.00 0.01 0.00 0.00 55.36 56.67 1xfd s GLN 782 Cb 0.00 -2.31 -0.04 0.00 -1.01 0.00 0.00 33.01 29.65 1xfd s GLN 782 CO 0.00 -0.38 0.64 -0.65 0.01 0.00 0.00 175.29 174.91 1xfd s GLN 783 N -2.86 4.38 -0.23 2.91 -0.21 -0.68 -4.80 119.66 118.16 1xfd s GLN 783 Ca 0.63 0.74 0.01 0.00 0.02 0.00 0.00 55.36 56.76 1xfd s GLN 783 Cb -0.21 -3.47 0.04 0.00 1.00 0.00 0.00 33.01 30.37 1xfd s GLN 783 CO 0.26 0.03 -0.12 0.12 -2.12 0.00 0.00 175.29 173.46 1xfd s PHE 784 N 0.96 3.05 -0.29 0.91 5.36 -1.26 -1.14 117.98 125.58 1xfd s PHE 784 Ca 0.33 -1.89 -0.04 0.00 -0.96 0.00 0.00 56.93 54.37 1xfd s PHE 784 Cb -0.17 -1.96 0.03 0.00 -0.34 0.00 0.00 43.02 40.58 1xfd s PHE 784 CO 0.15 -0.82 0.02 -1.17 -1.46 0.00 0.00 175.22 171.94 1xfd s LEU 785 N 1.23 3.72 -0.23 6.12 1.98 -0.82 -0.22 118.68 130.46 1xfd s LEU 785 Ca -0.02 -0.96 -0.09 0.00 -2.89 0.00 0.00 54.13 50.17 1xfd s LEU 785 Cb -0.17 -1.77 -0.05 0.00 0.66 0.00 0.00 46.19 44.87 1xfd s LEU 785 CO -0.07 -0.21 0.13 -0.63 -1.89 0.00 0.00 176.35 173.68 1xfd s ILE 786 N 1.37 5.10 -0.15 6.68 1.01 0.54 -2.02 121.20 133.74 1xfd s ILE 786 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 60.65 60.73 1xfd s ILE 786 Cb -0.18 -3.37 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1xfd s ILE 786 CO -0.01 0.37 -0.12 -0.63 0.00 0.00 0.00 174.94 174.55 1xfd s ILE 787 N 0.99 3.04 -0.21 2.92 1.01 -0.43 -0.72 121.20 127.80 1xfd s ILE 787 Ca 0.06 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.98 1xfd s ILE 787 Cb -0.13 -2.29 0.09 0.00 0.01 0.00 0.00 42.46 40.13 1xfd s ILE 787 CO 0.04 0.51 0.45 -2.28 0.00 0.00 0.00 174.94 173.65 1xfd s HIS 788 N 0.60 -0.83 0.05 3.97 2.46 -0.61 -0.11 115.29 120.81 1xfd s HIS 788 Ca -0.07 1.59 -0.31 0.00 0.47 0.00 0.00 55.06 56.74 1xfd s HIS 788 Cb -0.15 0.35 -0.06 0.00 -0.13 0.00 0.00 32.58 32.59 1xfd s HIS 788 CO 0.03 -0.48 1.30 -1.25 -2.47 0.00 0.00 174.74 171.87 1xfd s PRO 789 N 2.47 4.35 0.29 2.88 0.04 -1.26 -2.81 135.00 140.96 1xfd s PRO 789 Ca -0.03 1.89 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 1xfd s PRO 789 Cb -0.11 -3.40 0.45 0.00 0.04 0.00 0.00 34.50 31.48 1xfd s PRO 789 CO -0.13 -0.41 1.91 1.15 0.04 0.00 0.00 177.00 179.56 1xfd h THR 790 N 4.60 1.11 -0.99 1.26 2.02 -1.48 -2.79 112.91 116.65 1xfd h THR 790 Ca -0.40 -0.39 -0.66 0.00 0.77 0.00 0.00 66.41 65.74 1xfd h THR 790 Cb 1.20 -0.11 -0.30 0.00 -1.74 0.00 0.00 68.15 67.21 1xfd h THR 790 CO 0.86 0.20 0.80 0.00 0.37 0.00 0.00 175.52 177.75 1xfd n ALA 791 N -2.39 6.22 -1.82 6.16 0.00 0.43 -4.54 120.51 124.57 1xfd n ALA 791 Ca 0.13 -3.43 -0.42 0.00 0.00 0.00 0.00 53.44 49.72 1xfd n ALA 791 Cb 0.15 -1.69 -0.03 0.00 0.00 0.00 0.00 19.45 17.88 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 -1.85 6.39 0.13 0.00 -1.08 -1.05 -4.26 116.67 114.94 1xfd s ASP 792 Ca 0.64 2.31 0.24 0.00 -0.52 0.00 0.00 52.55 55.22 1xfd s ASP 792 Cb 0.50 -2.53 0.32 0.00 -1.46 0.00 0.00 42.92 39.75 1xfd s ASP 792 CO 0.00 -1.15 1.30 1.05 0.52 0.00 0.00 175.17 176.89 1xfd h GLU 793 N 10.83 0.00 0.00 4.34 9.09 -1.89 -3.33 114.58 133.61 1xfd h GLU 793 Ca -0.43 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 58.83 1xfd h GLU 793 Cb 1.21 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.29 1xfd h GLU 793 CO 0.95 0.00 -1.14 1.17 0.05 0.00 0.00 179.01 180.05 1xfd n LYS 794 N -2.15 0.52 -3.92 1.06 4.81 -1.26 -4.75 118.16 112.48 1xfd n LYS 794 Ca 0.03 0.47 -0.32 0.00 -0.87 0.00 0.00 58.31 57.62 1xfd n LYS 794 Cb 0.45 -1.65 -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 -2.41 2.75 0.24 3.15 1.01 -1.26 -4.80 121.20 119.89 1xfd s ILE 795 Ca -0.25 -2.94 -0.29 0.00 0.00 0.00 0.00 60.65 57.17 1xfd s ILE 795 Cb 0.06 -2.91 -0.15 0.00 0.01 0.00 0.00 42.46 39.47 1xfd s ILE 795 CO 0.42 -0.76 0.98 1.41 0.00 0.00 0.00 174.94 177.00 1xfd n HIS 796 N 3.55 1.03 0.32 3.97 8.25 -1.25 -4.75 115.22 126.34 1xfd n HIS 796 Ca 0.05 0.74 0.17 0.00 -0.26 0.00 0.00 57.72 58.41 1xfd n HIS 796 Cb 0.36 -2.22 0.90 0.00 1.12 0.00 0.00 29.99 30.15 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 2.23 0.00 -1.01 4.41 3.57 -1.80 0.08 116.94 124.42 1xfd h PHE 797 Ca -0.39 0.00 0.24 0.00 3.53 0.00 0.00 57.97 61.35 1xfd h PHE 797 Cb 1.36 0.00 -0.12 0.00 2.79 0.00 0.00 35.95 39.98 1xfd h PHE 797 CO 0.49 0.00 0.61 0.37 -2.23 0.00 0.00 178.31 177.54 1xfd h GLN 798 N 0.00 0.56 0.66 1.11 4.15 -1.93 -0.17 115.11 119.48 1xfd h GLN 798 Ca 0.01 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1xfd h GLN 798 Cb 0.55 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1xfd h GLN 798 CO -0.00 0.37 -0.37 0.45 -1.93 0.00 0.00 178.83 177.35 1xfd h HIS 799 N 0.57 -0.96 -0.85 3.99 3.86 -1.28 0.52 115.15 121.00 1xfd h HIS 799 Ca 0.63 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.97 1xfd h HIS 799 Cb 1.24 0.33 -0.06 0.00 1.06 0.00 0.00 27.41 29.98 1xfd h HIS 799 CO -0.01 -0.57 0.55 1.15 0.86 0.00 0.00 177.93 179.92 1xfd h THR 800 N -0.96 0.84 0.16 2.45 2.02 -1.35 0.94 112.91 117.02 1xfd h THR 800 Ca -0.09 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 1xfd h THR 800 Cb 0.76 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 1xfd h THR 800 CO 0.11 0.12 -0.08 0.00 0.37 0.00 0.00 175.52 176.04 1xfd h ALA 801 N 1.61 -0.22 -0.88 6.16 0.00 -0.61 -0.86 119.26 124.46 1xfd h ALA 801 Ca 0.42 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.23 1xfd h ALA 801 Cb 0.72 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1xfd h ALA 801 CO -0.18 -0.50 0.56 1.49 0.00 0.00 0.00 179.25 180.62 1xfd h GLU 802 N -0.45 1.04 -0.14 0.00 4.57 0.06 -1.84 114.58 117.81 1xfd h GLU 802 Ca -0.02 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1xfd h GLU 802 Cb 0.35 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 1xfd h GLU 802 CO 0.04 0.69 0.08 1.25 -1.18 0.00 0.00 179.01 179.89 1xfd h LEU 803 N 1.07 0.17 -1.39 1.64 5.85 -0.67 -2.50 115.31 119.47 1xfd h LEU 803 Ca 0.36 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 59.02 1xfd h LEU 803 Cb 0.07 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1xfd h LEU 803 CO -0.14 0.18 0.33 0.40 -0.34 0.00 0.00 178.44 178.87 1xfd h ILE 804 N 0.15 1.16 -0.69 4.05 2.04 -0.78 -0.34 117.51 123.10 1xfd h ILE 804 Ca 0.05 -0.35 0.05 0.00 1.00 0.00 0.00 64.86 65.61 1xfd h ILE 804 Cb 0.04 0.39 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 1xfd h ILE 804 CO -0.01 0.16 0.41 0.74 0.00 0.00 0.00 178.15 179.45 1xfd h THR 805 N 0.75 1.03 -0.45 -0.27 2.02 -0.92 0.70 112.91 115.77 1xfd h THR 805 Ca 0.20 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 67.03 1xfd h THR 805 Cb -0.03 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.55 1xfd h THR 805 CO -0.04 0.14 -0.04 1.56 0.37 0.00 0.00 175.52 177.51 1xfd h GLN 806 N 0.78 0.82 -0.19 6.66 1.08 -0.87 -1.14 115.11 122.25 1xfd h GLN 806 Ca 0.29 -0.28 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1xfd h GLN 806 Cb 0.11 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.46 1xfd h GLN 806 CO -0.15 0.90 0.12 -0.07 -0.95 0.00 0.00 178.83 178.68 1xfd h LEU 807 N 0.66 0.22 -0.08 1.46 3.38 -0.40 0.25 115.31 120.81 1xfd h LEU 807 Ca 0.12 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 1xfd h LEU 807 Cb 0.56 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.26 1xfd h LEU 807 CO 0.03 0.17 -0.46 0.40 0.09 0.00 0.00 178.44 178.67 1xfd h ILE 808 N 0.26 1.39 -0.50 1.22 2.04 -0.33 0.22 117.51 121.81 1xfd h ILE 808 Ca 0.07 -1.83 -0.12 0.00 1.00 0.00 0.00 64.86 63.98 1xfd h ILE 808 Cb -0.02 2.30 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1xfd h ILE 808 CO -0.01 0.54 -0.16 0.03 0.00 0.00 0.00 178.15 178.55 1xfd h ARG 809 N -0.00 0.97 0.00 2.37 3.08 -0.73 -2.23 114.38 117.83 1xfd h ARG 809 Ca -0.04 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.64 1xfd h ARG 809 Cb 1.11 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1xfd h ARG 809 CO 0.09 1.05 0.00 0.41 -1.07 0.00 0.00 179.97 180.45 1xfd n GLY 810 N -0.23 -0.94 3.92 0.04 0.00 0.85 -4.90 105.19 103.93 1xfd n GLY 810 Ca 0.01 -0.15 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.91 -4.56 -3.07 1.61 5.02 -0.61 -4.98 118.16 110.66 1xfd n LYS 811 Ca 0.18 0.53 -0.20 0.00 -2.02 0.00 0.00 58.31 56.80 1xfd n LYS 811 Cb 0.08 -5.17 0.01 0.00 -0.02 0.00 0.00 35.03 29.94 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 4.10 -0.16 7.82 0.00 0.66 -5.03 121.76 125.64 1xfd s ALA 812 Ca 0.39 -1.37 -0.05 0.00 0.00 0.00 0.00 51.96 50.93 1xfd s ALA 812 Cb -0.20 -1.87 -0.03 0.00 0.00 0.00 0.00 23.12 21.01 1xfd s ALA 812 CO 0.85 -0.33 0.02 -0.80 0.00 0.00 0.00 175.76 175.51 1xfd s ASN 813 N -4.28 5.29 0.34 0.00 0.01 -1.26 -4.73 114.94 110.30 1xfd s ASN 813 Ca 0.51 0.01 0.07 0.00 -0.71 0.00 0.00 52.86 52.74 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 0.35 0.19 0.30 -0.72 -1.51 0.00 0.00 177.10 175.71 1xfd s TYR 814 N 0.23 1.75 -0.19 2.20 1.13 -1.26 -3.99 117.35 117.23 1xfd s TYR 814 Ca 0.01 -1.66 -0.14 0.00 -1.41 0.00 0.00 57.07 53.87 1xfd s TYR 814 Cb -0.13 -0.68 0.05 0.00 -1.10 0.00 0.00 41.96 40.10 1xfd s TYR 814 CO 0.01 -0.91 0.48 0.45 -2.51 0.00 0.00 175.55 173.08 1xfd s SER 815 N -3.38 -0.56 -0.03 -0.18 0.15 0.70 -4.89 113.70 105.52 1xfd s SER 815 Ca 0.40 1.00 0.05 0.00 0.70 0.00 0.00 55.95 58.11 1xfd s SER 815 Cb 0.02 0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 65.26 1xfd s SER 815 CO 0.28 -0.18 -0.18 -0.22 1.20 0.00 0.00 173.24 174.14 1xfd s LEU 816 N 0.81 2.53 -0.11 3.45 0.20 -1.26 -0.34 118.68 123.96 1xfd s LEU 816 Ca -0.04 -0.30 0.01 0.00 0.69 0.00 0.00 54.13 54.49 1xfd s LEU 816 Cb -0.05 -1.49 0.02 0.00 -0.43 0.00 0.00 46.19 44.23 1xfd s LEU 816 CO -0.06 0.33 -0.13 -1.10 -0.29 0.00 0.00 176.35 175.10 1xfd s GLN 817 N -0.79 1.99 0.25 1.98 -0.21 0.10 -4.96 119.66 118.03 1xfd s GLN 817 Ca 0.11 -0.46 0.09 0.00 0.02 0.00 0.00 55.36 55.12 1xfd s GLN 817 Cb -0.10 -1.80 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 1xfd s GLN 817 CO 0.01 -0.15 0.03 -1.50 -2.12 0.00 0.00 175.29 171.56 1xfd s ILE 818 N 1.26 3.64 -0.56 1.08 1.10 -1.26 -1.57 121.20 124.89 1xfd s ILE 818 Ca -0.02 -1.78 0.05 0.00 -0.51 0.00 0.00 60.65 58.39 1xfd s ILE 818 Cb -0.14 -2.94 0.18 0.00 0.15 0.00 0.00 42.46 39.71 1xfd s ILE 818 CO -0.05 -0.35 0.45 -1.22 -2.11 0.00 0.00 174.94 171.66 1xfd n TYR 819 N -0.87 1.33 -1.47 3.50 4.01 -1.12 -4.93 117.16 117.61 1xfd n TYR 819 Ca -0.07 -3.84 -0.57 0.00 -0.16 0.00 0.00 57.90 53.25 1xfd n TYR 819 Cb 0.58 -0.23 -0.08 0.00 -0.31 0.00 0.00 39.34 39.30 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 -0.67 -0.72 -0.02 -1.26 -0.97 135.00 133.58 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 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 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 2.47 -2.67 -4.79 2.55 8.00 -1.26 -4.85 116.55 116.00 1xfd n ASP 821 Ca 0.23 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.37 1xfd n ASP 821 Cb 0.01 -2.72 -0.05 0.00 -0.02 0.00 0.00 41.12 38.34 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 -1.35 4.27 0.73 -1.24 0.41 -0.14 -4.44 118.70 116.93 1xfd s GLU 822 Ca 0.00 1.41 -0.12 0.00 -0.41 0.00 0.00 54.97 55.84 1xfd s GLU 822 Cb 0.00 -2.54 0.18 0.00 -1.78 0.00 0.00 34.13 29.99 1xfd s GLU 822 CO 0.00 -0.03 0.77 0.45 -0.49 0.00 0.00 175.26 175.96 1xfd n SER 823 N -0.03 -0.96 0.08 -0.19 2.88 -1.26 -0.43 113.62 113.72 1xfd n SER 823 Ca 0.05 -1.09 -0.11 0.00 -1.33 0.00 0.00 58.87 56.38 1xfd n SER 823 Cb 0.50 -0.65 -0.04 0.00 -0.75 0.00 0.00 64.21 63.27 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 -1.96 0.44 0.01 0.66 -0.00 -1.90 -3.41 115.15 108.99 1xfd h HIS 824 Ca -0.27 -0.25 -0.22 0.00 -0.00 0.00 0.00 60.37 59.63 1xfd h HIS 824 Cb 0.79 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.13 1xfd h HIS 824 CO 0.00 1.08 -1.02 1.88 -0.00 0.00 0.00 177.93 179.87 1xfd h TYR 825 N 0.15 0.05 -4.20 5.26 -1.99 -1.94 -3.49 116.97 110.82 1xfd h TYR 825 Ca -0.07 -0.04 -0.11 0.00 2.00 0.00 0.00 58.73 60.51 1xfd h TYR 825 Cb 1.60 -0.00 0.09 0.00 2.00 0.00 0.00 36.73 40.41 1xfd h TYR 825 CO 0.04 1.02 -0.39 1.19 -0.00 0.00 0.00 178.16 180.03 1xfd n PHE 826 N -3.38 -1.23 -1.13 4.88 3.01 -1.26 -4.92 117.46 113.43 1xfd n PHE 826 Ca -0.01 0.43 -0.25 0.00 1.01 0.00 0.00 57.45 58.63 1xfd n PHE 826 Cb 0.94 -3.26 0.05 0.00 -0.01 0.00 0.00 39.48 37.20 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 -2.27 3.16 -3.74 4.37 -2.24 -1.26 -4.62 114.28 107.68 1xfd n THR 827 Ca -0.03 -2.30 -0.28 0.00 -2.27 0.00 0.00 64.05 59.17 1xfd n THR 827 Cb 0.55 -1.29 -0.16 0.00 -2.10 0.00 0.00 70.33 67.33 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 -0.60 2.95 0.29 3.42 0.15 -1.26 -5.00 113.70 113.66 1xfd s SER 828 Ca 0.46 -0.84 0.05 0.00 0.70 0.00 0.00 55.95 56.32 1xfd s SER 828 Cb 0.36 -0.62 0.74 0.00 -1.71 0.00 0.00 66.02 64.79 1xfd s SER 828 CO -0.03 -0.31 1.72 0.77 1.20 0.00 0.00 173.24 176.59 1xfd h SER 829 N 8.23 0.49 0.03 5.45 4.64 -1.98 0.73 113.55 131.15 1xfd h SER 829 Ca -0.16 0.13 0.02 0.00 -0.47 0.00 0.00 61.79 61.32 1xfd h SER 829 Cb 1.12 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 1xfd h SER 829 CO 0.34 0.09 -0.19 -1.28 -0.87 0.00 0.00 176.83 174.92 1xfd h SER 830 N 0.52 -0.53 0.15 4.97 0.87 -1.97 -0.44 113.55 117.11 1xfd h SER 830 Ca 0.57 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 61.19 1xfd h SER 830 Cb 1.02 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1xfd h SER 830 CO -0.47 -0.25 -0.07 -0.07 -0.53 0.00 0.00 176.83 175.43 1xfd h LEU 831 N -0.32 -0.18 -0.92 2.23 3.38 -1.04 -2.55 115.31 115.92 1xfd h LEU 831 Ca 0.05 -0.26 0.23 0.00 0.09 0.00 0.00 57.88 57.99 1xfd h LEU 831 Cb 0.37 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.04 1xfd h LEU 831 CO -0.15 0.18 0.42 0.50 0.09 0.00 0.00 178.44 179.47 1xfd h LYS 832 N -0.55 0.39 0.83 1.13 3.64 0.37 0.26 116.57 122.64 1xfd h LYS 832 Ca -0.02 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 1xfd h LYS 832 Cb 0.42 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1xfd h LYS 832 CO 0.03 0.26 -0.40 0.37 -2.27 0.00 0.00 179.45 177.44 1xfd h GLN 833 N 0.40 -1.07 -0.90 1.90 4.15 -0.98 -0.68 115.11 117.92 1xfd h GLN 833 Ca 0.58 0.07 0.19 0.00 0.77 0.00 0.00 58.65 60.26 1xfd h GLN 833 Cb 1.13 0.24 -0.11 0.00 0.21 0.00 0.00 27.48 28.96 1xfd h GLN 833 CO -0.54 -0.71 0.46 1.25 -1.93 0.00 0.00 178.83 177.36 1xfd h HIS 834 N -1.12 0.79 0.50 3.99 2.76 -0.60 -0.26 115.15 121.21 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 0.85 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.58 1xfd h HIS 834 CO -0.01 0.10 -0.45 1.25 -1.30 0.00 0.00 177.93 177.52 1xfd h LEU 835 N 0.56 -1.22 -0.25 0.26 6.46 -0.11 -0.32 115.31 120.70 1xfd h LEU 835 Ca 0.53 0.09 0.06 0.00 -0.12 0.00 0.00 57.88 58.44 1xfd h LEU 835 Cb 0.88 0.39 -0.07 0.00 -0.73 0.00 0.00 40.66 41.13 1xfd h LEU 835 CO -0.43 -0.61 -0.30 1.88 -0.62 0.00 0.00 178.44 178.36 1xfd h TYR 836 N -0.93 -0.81 -0.34 1.25 0.99 -0.23 -0.06 116.97 116.84 1xfd h TYR 836 Ca -0.06 0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.78 1xfd h TYR 836 Cb 0.80 0.39 -0.09 0.00 1.00 0.00 0.00 36.73 38.83 1xfd h TYR 836 CO -0.21 -0.37 -0.37 0.00 -0.00 0.00 0.00 178.16 177.22 1xfd h ARG 837 N -0.31 -0.31 -0.40 4.88 3.08 -0.93 0.26 114.38 120.66 1xfd h ARG 837 Ca 0.13 0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.29 1xfd h ARG 837 Cb 0.52 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.55 1xfd h ARG 837 CO -0.42 -0.21 -0.26 0.77 -1.07 0.00 0.00 179.97 178.78 1xfd h SER 838 N -0.32 -0.88 0.14 7.04 0.02 -0.18 0.61 113.55 119.98 1xfd h SER 838 Ca 0.14 0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.27 1xfd h SER 838 Cb 0.57 0.44 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 1xfd h SER 838 CO -0.51 -0.28 -0.15 0.40 -1.14 0.00 0.00 176.83 175.15 1xfd h ILE 839 N -0.20 0.67 -0.33 3.27 2.04 0.70 -2.34 117.51 121.32 1xfd h ILE 839 Ca 0.19 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.11 1xfd h ILE 839 Cb 0.49 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1xfd h ILE 839 CO -0.51 0.00 -0.07 0.40 0.00 0.00 0.00 178.15 177.96 1xfd h ILE 840 N -0.32 0.68 -0.42 -0.67 2.04 0.12 -1.29 117.51 117.65 1xfd h ILE 840 Ca 0.01 -0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.99 1xfd h ILE 840 Cb 0.31 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 1xfd h ILE 840 CO -0.05 0.00 0.47 0.78 0.00 0.00 0.00 178.15 179.35 1xfd h ASN 841 N 0.01 0.00 0.08 1.72 4.21 -0.59 -0.20 115.58 120.80 1xfd h ASN 841 Ca 0.16 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.66 1xfd h ASN 841 Cb 0.24 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.44 1xfd h ASN 841 CO -0.33 0.00 -0.04 0.15 -1.29 0.00 0.00 177.43 175.92 1xfd h PHE 842 N 0.00 -0.09 -0.38 1.19 3.57 -0.70 -3.24 116.94 117.28 1xfd h PHE 842 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1xfd h PHE 842 Cb 1.13 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1xfd h PHE 842 CO 0.00 -0.06 0.21 0.74 -2.23 0.00 0.00 178.31 176.97 1xfd h PHE 843 N -0.89 0.52 -0.47 0.41 0.05 -1.41 -2.16 116.94 112.99 1xfd h PHE 843 Ca -0.01 -0.01 0.14 0.00 3.82 0.00 0.00 57.97 61.91 1xfd h PHE 843 Cb 0.08 -0.17 -0.02 0.00 2.00 0.00 0.00 35.95 37.84 1xfd h PHE 843 CO 0.00 0.40 0.38 -0.24 -0.18 0.00 0.00 178.31 178.67 1xfd h VAL 844 N 0.49 0.62 0.00 -0.55 3.04 -1.22 -2.44 116.25 116.19 1xfd h VAL 844 Ca 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.82 1xfd h VAL 844 Cb 0.05 0.72 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 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 -4.16 0.00 0.00 4.17 -0.58 -0.84 -2.68 120.64 116.55 1xfd n GLU 845 Ca 0.08 0.50 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 1xfd n GLU 845 Cb 0.58 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 30.32 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 0.80 -0.22 -1.74 0.00 3.01 -0.94 -4.87 117.46 113.51 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 0.08 0.08 0.02 0.00 -0.01 0.00 0.00 39.48 39.65 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 -3.28 2.06 0.00 -1.08 3.00 -1.02 -4.99 116.66 111.35 1xfd n ARG 848 Ca 0.00 0.74 0.01 0.00 -0.00 0.00 0.00 57.85 58.60 1xfd n ARG 848 Cb 0.17 -2.53 0.01 0.00 0.00 0.00 0.00 32.46 30.10 1xfd n ARG 848 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14