#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s19 n ARG 121 N 0.00 1.61 -1.70 3.23 1.74 -1.26 -5.07 116.66 115.20 1s19 n ARG 121 Ca 0.00 -4.07 -0.39 0.00 -0.77 0.00 0.00 57.85 52.62 1s19 n ARG 121 Cb 0.00 -1.92 0.03 0.00 -1.02 0.00 0.00 32.46 29.55 1s19 n ARG 121 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1s19 n PRO 122 N 1.50 1.58 -1.62 5.56 -0.04 -1.26 -4.94 135.00 135.78 1s19 n PRO 122 Ca 0.26 0.58 -0.31 0.00 -0.04 0.00 0.00 63.50 63.99 1s19 n PRO 122 Cb 0.44 -2.41 0.05 0.00 -0.04 0.00 0.00 33.50 31.53 1s19 n PRO 122 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1s19 s LYS 123 N -2.63 2.88 0.10 0.54 1.02 -1.26 -4.82 119.74 115.57 1s19 s LYS 123 Ca 0.69 0.85 -0.31 0.00 0.02 0.00 0.00 55.97 57.22 1s19 s LYS 123 Cb -0.45 -1.99 -0.07 0.00 -0.52 0.00 0.00 37.83 34.80 1s19 s LYS 123 CO 0.52 -1.11 1.35 -0.51 -0.92 0.00 0.00 175.35 174.68 1s19 s LEU 124 N -5.53 4.37 0.99 3.17 1.43 -1.26 -5.00 118.68 116.85 1s19 s LEU 124 Ca 0.58 2.26 -0.12 0.00 -1.03 0.00 0.00 54.13 55.82 1s19 s LEU 124 Cb -0.14 -3.58 0.18 0.00 0.03 0.00 0.00 46.19 42.68 1s19 s LEU 124 CO 0.55 -0.62 1.09 -0.94 0.23 0.00 0.00 176.35 176.65 1s19 s SER 125 N 1.11 2.69 0.23 2.29 1.04 -1.26 -4.79 113.70 115.00 1s19 s SER 125 Ca 0.63 1.33 -0.07 0.00 0.48 0.00 0.00 55.95 58.33 1s19 s SER 125 Cb -0.35 -2.01 0.21 0.00 0.10 0.00 0.00 66.02 63.97 1s19 s SER 125 CO 0.30 -3.11 1.86 -0.08 0.98 0.00 0.00 173.24 173.19 1s19 h GLU 126 N -1.88 1.25 -0.41 4.02 4.57 -1.99 -1.74 114.58 118.40 1s19 h GLU 126 Ca -0.54 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 57.46 1s19 h GLU 126 Cb 1.31 -0.25 -0.02 0.00 -0.16 0.00 0.00 28.75 29.64 1s19 h GLU 126 CO 0.56 0.90 0.07 1.49 -1.18 0.00 0.00 179.01 180.85 1s19 h GLU 127 N 1.26 0.67 -0.71 1.92 4.81 -1.99 -1.96 114.58 118.58 1s19 h GLU 127 Ca 0.32 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1s19 h GLU 127 Cb -0.00 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.26 1s19 h GLU 127 CO -0.05 0.71 0.43 1.96 -0.73 0.00 0.00 179.01 181.33 1s19 h GLN 128 N 0.52 0.95 -0.55 1.92 4.20 -1.84 -0.20 115.11 120.12 1s19 h GLN 128 Ca 0.12 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1s19 h GLN 128 Cb 0.36 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 1s19 h GLN 128 CO 0.01 0.67 0.21 1.96 -0.67 0.00 0.00 178.83 181.01 1s19 h GLN 129 N 0.96 0.79 -0.47 1.46 4.20 -1.18 -2.03 115.11 118.83 1s19 h GLN 129 Ca 0.25 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 1s19 h GLN 129 Cb -0.05 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1s19 h GLN 129 CO -0.05 0.66 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.61 1s19 h ARG 130 N 0.78 0.88 -0.36 1.46 2.43 -0.53 -1.57 114.38 117.47 1s19 h ARG 130 Ca 0.19 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1s19 h ARG 130 Cb 0.17 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1s19 h ARG 130 CO -0.02 0.96 0.21 0.82 -1.51 0.00 0.00 179.97 180.43 1s19 h ILE 131 N 0.73 1.04 -0.49 1.20 2.04 -0.58 -0.33 117.51 121.12 1s19 h ILE 131 Ca 0.13 -0.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1s19 h ILE 131 Cb 0.60 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1s19 h ILE 131 CO 0.04 0.08 0.27 0.40 0.00 0.00 0.00 178.15 178.93 1s19 h ILE 132 N 0.43 1.17 -0.63 -0.67 2.04 -1.25 -1.23 117.51 117.37 1s19 h ILE 132 Ca 0.14 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1s19 h ILE 132 Cb 0.01 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1s19 h ILE 132 CO -0.07 0.18 0.37 0.00 0.00 0.00 0.00 178.15 178.63 1s19 h ALA 133 N 1.11 0.81 -0.63 1.87 0.00 -0.93 -0.41 119.26 121.07 1s19 h ALA 133 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1s19 h ALA 133 Cb 0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1s19 h ALA 133 CO -0.03 0.30 0.30 0.82 0.00 0.00 0.00 179.25 180.65 1s19 h ILE 134 N 0.86 1.22 -0.38 0.00 2.04 -0.79 -1.81 117.51 118.65 1s19 h ILE 134 Ca 0.22 -0.61 -0.15 0.00 1.00 0.00 0.00 64.86 65.32 1s19 h ILE 134 Cb 0.00 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1s19 h ILE 134 CO -0.04 0.25 -0.36 -0.07 0.00 0.00 0.00 178.15 177.94 1s19 h LEU 135 N 0.87 0.95 -0.58 1.44 3.38 -0.88 -0.63 115.31 119.85 1s19 h LEU 135 Ca 0.22 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1s19 h LEU 135 Cb 0.12 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1s19 h LEU 135 CO -0.03 1.20 0.25 -0.07 0.09 0.00 0.00 178.44 179.88 1s19 h LEU 136 N 0.74 0.78 -0.61 1.67 3.38 -0.97 -1.11 115.31 119.19 1s19 h LEU 136 Ca 0.07 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1s19 h LEU 136 Cb 0.93 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1s19 h LEU 136 CO 0.09 0.71 0.21 -0.78 0.09 0.00 0.00 178.44 178.76 1s19 h ASP 137 N 0.79 0.86 -0.58 -0.43 -0.00 -1.19 -1.30 116.42 114.57 1s19 h ASP 137 Ca 0.19 -0.19 -0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1s19 h ASP 137 Cb 0.16 -0.22 -0.03 0.00 -0.00 0.00 0.00 39.33 39.24 1s19 h ASP 137 CO -0.02 0.82 0.36 0.00 -0.00 0.00 0.00 179.24 180.40 1s19 h ALA 138 N 1.07 0.74 -0.44 -0.78 0.00 -0.80 -1.99 119.26 117.05 1s19 h ALA 138 Ca 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1s19 h ALA 138 Cb 0.25 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1s19 h ALA 138 CO -0.01 0.21 0.04 1.25 0.00 0.00 0.00 179.25 180.74 1s19 h HIS 139 N 0.79 0.82 -0.02 0.00 -0.00 -0.98 -2.22 115.15 113.53 1s19 h HIS 139 Ca 0.21 -0.13 -0.03 0.00 -0.00 0.00 0.00 60.37 60.42 1s19 h HIS 139 Cb -0.03 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.15 1s19 h HIS 139 CO -0.02 0.79 -0.12 0.45 -0.00 0.00 0.00 177.93 179.03 1s19 h HIS 140 N 0.61 0.03 0.00 5.26 3.86 -0.99 0.11 115.15 124.04 1s19 h HIS 140 Ca 0.13 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1s19 h HIS 140 Cb 0.44 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1s19 h HIS 140 CO 0.03 0.15 -0.31 0.87 0.86 0.00 0.00 177.93 179.53 1s19 h LYS 141 N 0.03 0.00 -0.00 2.45 1.57 -1.16 -3.36 116.57 116.09 1s19 h LYS 141 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1s19 h LYS 141 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1s19 h LYS 141 CO 0.02 0.00 -0.01 0.25 -0.57 0.00 0.00 179.45 179.14 1s19 n THR 142 N -2.49 0.00 -3.81 -0.16 -2.24 -0.73 -4.93 114.28 99.94 1s19 n THR 142 Ca 0.04 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.03 1s19 n THR 142 Cb 0.47 1.07 -0.16 0.00 -2.10 0.00 0.00 70.33 69.62 1s19 n THR 142 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1s19 s TYR 143 N -0.34 1.81 -0.53 4.78 6.14 0.32 -4.85 117.35 124.67 1s19 s TYR 143 Ca 0.04 -1.55 -0.25 0.00 0.64 0.00 0.00 57.07 55.96 1s19 s TYR 143 Cb 0.03 -1.54 0.04 0.00 0.42 0.00 0.00 41.96 40.91 1s19 s TYR 143 CO 0.05 -0.77 0.95 0.34 0.64 0.00 0.00 175.55 176.76 1s19 s ASP 144 N 1.59 6.38 0.00 4.32 2.15 -1.26 -4.75 116.67 125.09 1s19 s ASP 144 Ca 0.02 -0.23 0.14 0.00 0.43 0.00 0.00 52.55 52.91 1s19 s ASP 144 Cb -0.18 -2.44 0.72 0.00 -0.30 0.00 0.00 42.92 40.72 1s19 s ASP 144 CO -0.14 -1.20 1.36 -0.81 -0.17 0.00 0.00 175.17 174.21 1s19 n PRO 145 N 7.44 0.23 -0.00 4.34 -0.04 -1.26 -1.99 135.00 143.72 1s19 n PRO 145 Ca 0.03 0.14 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 1s19 n PRO 145 Cb 0.48 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.31 1s19 n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1s19 n THR 146 N -1.25 0.00 -2.97 0.52 -2.24 -1.26 -4.98 114.28 102.10 1s19 n THR 146 Ca 0.07 -0.12 -0.21 0.00 -2.27 0.00 0.00 64.05 61.53 1s19 n THR 146 Cb 0.10 0.78 0.01 0.00 -2.10 0.00 0.00 70.33 69.12 1s19 n THR 146 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1s19 n TYR 147 N -1.66 -1.73 0.33 4.78 4.02 -0.84 -4.78 117.16 117.27 1s19 n TYR 147 Ca 0.02 0.37 0.12 0.00 -0.01 0.00 0.00 57.90 58.40 1s19 n TYR 147 Cb 0.38 -3.70 0.51 0.00 -0.02 0.00 0.00 39.34 36.52 1s19 n TYR 147 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1s19 n SER 148 N -2.29 0.63 0.06 7.72 3.41 -1.26 -2.70 113.62 119.19 1s19 n SER 148 Ca -0.10 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 1s19 n SER 148 Cb 0.60 -0.81 0.18 0.00 -0.26 0.00 0.00 64.21 63.92 1s19 n SER 148 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1s19 n ASP 149 N -2.24 0.71 0.24 4.04 8.00 -1.26 -4.34 116.55 121.71 1s19 n ASP 149 Ca 0.01 0.15 0.18 0.00 0.71 0.00 0.00 54.79 55.84 1s19 n ASP 149 Cb 0.17 0.11 0.86 0.00 -0.02 0.00 0.00 41.12 42.25 1s19 n ASP 149 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1s19 h PHE 150 N 0.00 0.00 0.00 1.24 -1.00 -1.91 -0.26 116.94 115.01 1s19 h PHE 150 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1s19 h PHE 150 Cb 0.75 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.31 1s19 h PHE 150 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 1s19 h GLN 152 N 0.00 0.00 -7.40 0.00 4.20 -1.35 -3.47 115.11 107.08 1s19 h GLN 152 Ca 0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 1s19 h GLN 152 Cb 0.33 0.00 0.09 0.00 0.30 0.00 0.00 27.48 28.21 1s19 h GLN 152 CO 0.00 0.00 0.37 -0.06 -0.67 0.00 0.00 178.83 178.47 1s19 s PHE 153 N -3.16 3.09 0.32 2.96 2.99 -1.08 -4.97 117.98 118.13 1s19 s PHE 153 Ca 0.07 1.21 -0.29 0.00 0.00 0.00 0.00 56.93 57.92 1s19 s PHE 153 Cb 0.13 -3.01 -0.11 0.00 0.00 0.00 0.00 43.02 40.03 1s19 s PHE 153 CO 0.69 -1.40 1.50 1.03 -0.00 0.00 0.00 175.22 177.05 1s19 s ARG 154 N -5.18 4.16 0.44 0.44 0.52 -1.26 -4.89 118.95 113.18 1s19 s ARG 154 Ca 0.59 2.50 -0.25 0.00 -0.52 0.00 0.00 55.73 58.05 1s19 s ARG 154 Cb -0.13 -3.02 -0.09 0.00 0.52 0.00 0.00 34.95 32.23 1s19 s ARG 154 CO 0.54 -0.52 1.23 -0.35 0.02 0.00 0.00 175.30 176.22 1s19 n PRO 155 N 1.39 1.79 -2.58 3.54 -0.04 -1.26 -3.99 135.00 133.85 1s19 n PRO 155 Ca 0.04 0.64 -0.38 0.00 -0.04 0.00 0.00 63.50 63.76 1s19 n PRO 155 Cb 0.39 -2.34 -0.05 0.00 -0.04 0.00 0.00 33.50 31.46 1s19 n PRO 155 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1s19 s PRO 156 N -2.26 4.48 -0.13 0.54 0.04 -1.26 -4.46 135.00 131.94 1s19 s PRO 156 Ca 0.63 1.58 -0.00 0.00 0.04 0.00 0.00 61.00 63.25 1s19 s PRO 156 Cb -0.50 -2.90 0.03 0.00 0.04 0.00 0.00 34.50 31.17 1s19 s PRO 156 CO 0.57 0.13 -0.07 0.08 0.04 0.00 0.00 177.00 177.74 1s19 s VAL 157 N -1.42 1.08 -0.49 -0.36 1.01 -1.22 -5.06 120.40 113.93 1s19 s VAL 157 Ca 0.50 -0.40 -0.05 0.00 0.00 0.00 0.00 61.98 62.02 1s19 s VAL 157 Cb -0.25 -1.14 0.13 0.00 0.00 0.00 0.00 36.38 35.12 1s19 s VAL 157 CO 0.32 0.30 0.32 -0.13 0.00 0.00 0.00 175.10 175.92 1s19 s ARG 158 N 1.68 2.34 0.65 2.72 0.52 -1.26 -3.48 118.95 122.11 1s19 s ARG 158 Ca 0.04 -1.99 -0.11 0.00 -0.52 0.00 0.00 55.73 53.14 1s19 s ARG 158 Cb -0.13 -3.76 -0.02 0.00 0.52 0.00 0.00 34.95 31.56 1s19 s ARG 158 CO -0.08 -1.14 1.04 0.14 0.02 0.00 0.00 175.30 175.28 1s19 s VAL 159 N 0.89 4.44 -0.15 3.52 -7.23 -1.26 -4.99 120.40 115.63 1s19 s VAL 159 Ca 0.10 0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 60.78 1s19 s VAL 159 Cb -0.23 -3.69 -0.02 0.00 0.56 0.00 0.00 36.38 33.00 1s19 s VAL 159 CO -0.03 -1.03 1.39 0.20 -0.31 0.00 0.00 175.10 175.32 1s19 s ASN 160 N -4.00 6.81 -0.41 4.85 0.01 -1.26 -4.87 114.94 116.07 1s19 s ASN 160 Ca 0.56 1.79 0.09 0.00 -0.71 0.00 0.00 52.86 54.60 1s19 s ASN 160 Cb -0.12 -2.54 0.36 0.00 0.41 0.00 0.00 41.25 39.36 1s19 s ASN 160 CO 0.54 -0.86 1.12 -0.67 -1.51 0.00 0.00 177.10 175.72 1s19 n ASP 161 N 6.94 -1.33 0.25 -1.22 2.03 -1.26 -4.96 116.55 117.00 1s19 n ASP 161 Ca 0.15 -3.10 0.17 0.00 0.52 0.00 0.00 54.79 52.53 1s19 n ASP 161 Cb 0.44 1.00 0.80 0.00 -0.72 0.00 0.00 41.12 42.65 1s19 n ASP 161 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1s19 h GLY 162 N 2.68 0.00 0.95 0.27 0.00 -2.02 -2.04 103.07 102.91 1s19 h GLY 162 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.20 1s19 h GLY 162 CO 0.16 0.00 -0.41 0.61 0.00 0.00 0.00 176.54 176.90 1s19 n GLY 163 N -0.62 -1.16 3.10 4.60 0.00 -1.26 -4.96 105.19 104.89 1s19 n GLY 163 Ca -0.01 -0.34 -0.17 0.00 0.00 0.00 0.00 46.02 45.51 1s19 n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s19 n GLY 164 N 1.47 -0.24 3.64 -0.02 0.00 -0.77 -4.93 105.19 104.34 1s19 n GLY 164 Ca 0.07 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 1s19 n GLY 164 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s19 s SER 216 N -3.72 6.70 0.21 1.61 0.15 -1.26 -4.91 113.70 112.48 1s19 s SER 216 Ca 0.22 1.52 -0.08 0.00 0.70 0.00 0.00 55.95 58.31 1s19 s SER 216 Cb -0.10 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.82 1s19 s SER 216 CO 0.60 -1.00 1.77 0.58 1.20 0.00 0.00 173.24 176.39 1s19 h VAL 217 N 5.82 1.26 -0.19 4.45 2.07 -1.98 0.17 116.25 127.84 1s19 h VAL 217 Ca -0.29 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1s19 h VAL 217 Cb 1.12 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1s19 h VAL 217 CO 1.00 0.33 0.12 0.74 0.02 0.00 0.00 177.57 179.79 1s19 h THR 218 N 1.13 1.04 -0.16 2.57 2.02 -1.99 -0.07 112.91 117.44 1s19 h THR 218 Ca 0.26 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 1s19 h THR 218 Cb 0.22 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1s19 h THR 218 CO -0.02 0.05 0.05 0.25 0.37 0.00 0.00 175.52 176.22 1s19 h LEU 219 N 0.25 0.24 -0.52 2.58 5.85 -1.91 -1.73 115.31 120.08 1s19 h LEU 219 Ca 0.07 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1s19 h LEU 219 Cb -0.02 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1s19 h LEU 219 CO -0.02 0.38 0.25 -0.33 -0.34 0.00 0.00 178.44 178.38 1s19 h GLU 220 N 0.09 0.48 -0.22 1.25 5.08 -0.78 -1.47 114.58 119.00 1s19 h GLU 220 Ca 0.05 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 1s19 h GLU 220 Cb 0.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 1s19 h GLU 220 CO -0.00 0.32 -0.36 -0.07 -1.00 0.00 0.00 179.01 177.90 1s19 h LEU 221 N 0.49 0.50 -0.89 1.33 3.38 -0.96 0.58 115.31 119.75 1s19 h LEU 221 Ca 0.23 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1s19 h LEU 221 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1s19 h LEU 221 CO -0.17 0.82 -0.45 0.77 0.09 0.00 0.00 178.44 179.50 1s19 h SER 222 N 0.41 0.00 0.00 -0.43 4.64 -0.84 -3.37 113.55 113.96 1s19 h SER 222 Ca 0.04 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.05 1s19 h SER 222 Cb 0.82 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.86 1s19 h SER 222 CO 0.07 0.45 -2.08 0.00 -0.87 0.00 0.00 176.83 174.39 1s19 n GLN 223 N -3.62 0.42 -4.05 4.77 6.02 -0.60 -5.01 117.38 115.31 1s19 n GLN 223 Ca -0.01 0.17 -0.29 0.00 -0.01 0.00 0.00 57.00 56.86 1s19 n GLN 223 Cb 0.54 -1.23 -0.03 0.00 1.02 0.00 0.00 30.24 30.54 1s19 n GLN 223 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1s19 n LEU 224 N -3.70 -1.99 0.26 1.08 4.77 0.20 -4.84 117.00 112.78 1s19 n LEU 224 Ca -0.37 -1.03 0.10 0.00 -0.03 0.00 0.00 56.01 54.68 1s19 n LEU 224 Cb 0.79 -2.14 0.70 0.00 -2.33 0.00 0.00 43.42 40.43 1s19 n LEU 224 CO 0.05 0.40 1.02 0.77 -1.33 0.00 0.00 177.39 178.30 1s19 h SER 225 N -1.75 0.00 0.09 -1.43 4.64 -1.79 -2.71 113.55 110.59 1s19 h SER 225 Ca -0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 1s19 h SER 225 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1s19 h SER 225 CO 0.67 0.08 -0.56 0.23 -0.87 0.00 0.00 176.83 176.38 1s19 n MET 226 N -4.10 0.74 -0.10 4.77 2.81 -1.17 -3.41 117.12 116.66 1s19 n MET 226 Ca -0.03 -0.57 -0.09 0.00 -1.81 0.00 0.00 57.70 55.20 1s19 n MET 226 Cb 0.16 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.17 1s19 n MET 226 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1s19 h LEU 227 N 1.39 0.39 -0.54 4.03 5.85 -1.65 -1.85 115.31 122.93 1s19 h LEU 227 Ca 0.00 -0.08 0.07 0.00 0.84 0.00 0.00 57.88 58.70 1s19 h LEU 227 Cb 0.62 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 1s19 h LEU 227 CO 0.00 0.36 0.23 -0.65 -0.34 0.00 0.00 178.44 178.04 1s19 h PRO 228 N 0.39 0.42 -0.01 5.25 0.11 -1.76 0.25 132.00 136.65 1s19 h PRO 228 Ca 0.11 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.19 1s19 h PRO 228 Cb 0.05 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.07 1s19 h PRO 228 CO -0.02 0.28 -0.00 1.25 -0.21 0.00 0.00 178.00 179.30 1s19 h HIS 229 N 0.43 0.02 -0.06 0.65 -0.00 -1.67 -2.14 115.15 112.39 1s19 h HIS 229 Ca 0.25 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.55 1s19 h HIS 229 Cb 0.24 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 1s19 h HIS 229 CO -0.14 0.33 -0.30 -0.07 -0.00 0.00 0.00 177.93 177.75 1s19 h LEU 230 N -0.29 0.11 -0.53 0.26 3.38 -1.18 -0.90 115.31 116.16 1s19 h LEU 230 Ca 0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1s19 h LEU 230 Cb 0.32 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1s19 h LEU 230 CO 0.00 0.42 -0.01 0.00 0.09 0.00 0.00 178.44 178.94 1s19 h ALA 231 N 1.59 0.72 -0.44 1.53 0.00 -0.44 0.01 119.26 122.24 1s19 h ALA 231 Ca 0.01 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 1s19 h ALA 231 Cb 0.59 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1s19 h ALA 231 CO 0.04 0.54 -0.13 -0.44 0.00 0.00 0.00 179.25 179.26 1s19 h ASP 232 N 0.82 0.87 -0.37 0.00 3.45 -0.98 0.75 116.42 120.97 1s19 h ASP 232 Ca 0.15 -0.37 0.00 0.00 0.43 0.00 0.00 57.03 57.24 1s19 h ASP 232 Cb 0.54 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.05 1s19 h ASP 232 CO 0.03 1.05 0.24 0.25 -1.57 0.00 0.00 179.24 179.23 1s19 h LEU 233 N 0.69 0.42 -0.43 1.55 5.85 -0.99 0.93 115.31 123.34 1s19 h LEU 233 Ca 0.11 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 1s19 h LEU 233 Cb 0.68 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1s19 h LEU 233 CO 0.05 0.31 -0.38 0.58 -0.34 0.00 0.00 178.44 178.66 1s19 h VAL 234 N 0.49 1.27 -0.31 1.05 2.07 -0.89 -1.29 116.25 118.65 1s19 h VAL 234 Ca 0.13 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1s19 h VAL 234 Cb -0.05 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1s19 h VAL 234 CO -0.03 0.52 0.15 -1.28 0.02 0.00 0.00 177.57 176.95 1s19 h SER 235 N 0.74 0.40 -0.61 0.57 0.87 -0.61 -0.13 113.55 114.78 1s19 h SER 235 Ca 0.06 -0.12 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1s19 h SER 235 Cb 0.96 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.78 1s19 h SER 235 CO 0.09 0.41 0.37 0.22 -0.53 0.00 0.00 176.83 177.39 1s19 h TYR 236 N 0.37 0.70 -0.34 2.24 3.20 -0.75 -2.34 116.97 120.04 1s19 h TYR 236 Ca 0.11 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 1s19 h TYR 236 Cb 0.11 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1s19 h TYR 236 CO -0.02 0.39 -0.08 0.77 -1.64 0.00 0.00 178.16 177.58 1s19 h SER 237 N 0.73 0.55 -0.22 -2.11 0.02 -0.82 -2.09 113.55 109.61 1s19 h SER 237 Ca 0.25 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1s19 h SER 237 Cb 0.04 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1s19 h SER 237 CO -0.11 0.67 -0.11 0.40 -1.14 0.00 0.00 176.83 176.54 1s19 h ILE 238 N 0.53 1.24 -0.61 3.27 2.04 -0.53 0.75 117.51 124.21 1s19 h ILE 238 Ca 0.10 -1.07 -0.07 0.00 1.00 0.00 0.00 64.86 64.82 1s19 h ILE 238 Cb 0.46 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1s19 h ILE 238 CO 0.02 0.36 0.10 1.56 0.00 0.00 0.00 178.15 180.19 1s19 h GLN 239 N 0.56 1.01 -0.38 2.37 4.20 -0.91 -0.91 115.11 121.04 1s19 h GLN 239 Ca 0.10 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 1s19 h GLN 239 Cb 0.52 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 1s19 h GLN 239 CO 0.03 0.94 -0.20 0.87 -0.67 0.00 0.00 178.83 179.81 1s19 h LYS 240 N 0.91 0.74 -0.70 1.46 1.79 -0.82 -2.43 116.57 117.53 1s19 h LYS 240 Ca 0.19 -0.28 -0.07 0.00 -2.18 0.00 0.00 60.65 58.30 1s19 h LYS 240 Cb 0.42 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 1s19 h LYS 240 CO 0.01 0.88 0.15 0.28 -1.08 0.00 0.00 179.45 179.70 1s19 h VAL 241 N 0.65 1.26 -0.63 0.50 2.07 -0.57 -0.70 116.25 118.83 1s19 h VAL 241 Ca 0.10 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.62 1s19 h VAL 241 Cb 0.69 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 1s19 h VAL 241 CO 0.05 0.38 0.40 0.40 0.02 0.00 0.00 177.57 178.82 1s19 h ILE 242 N 1.06 1.17 -0.75 4.57 2.04 -0.92 -0.10 117.51 124.58 1s19 h ILE 242 Ca 0.22 -0.36 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1s19 h ILE 242 Cb 0.40 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1s19 h ILE 242 CO 0.01 0.17 0.31 1.23 0.00 0.00 0.00 178.15 179.87 1s19 h GLY 243 N 0.85 1.21 0.84 5.37 0.00 -1.03 -2.41 103.07 107.90 1s19 h GLY 243 Ca 0.23 -0.65 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1s19 h GLY 243 CO -0.05 0.62 -0.02 -2.75 0.00 0.00 0.00 176.54 174.34 1s19 h PHE 244 N 1.09 -0.04 -0.63 5.60 3.57 -0.67 -3.13 116.94 122.73 1s19 h PHE 244 Ca 0.25 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.81 1s19 h PHE 244 Cb 0.21 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1s19 h PHE 244 CO 0.02 0.12 0.41 0.00 -2.23 0.00 0.00 178.31 176.63 1s19 h ALA 245 N 0.75 1.76 0.00 2.41 0.00 -0.89 -1.69 119.26 121.60 1s19 h ALA 245 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1s19 h ALA 245 Cb 0.19 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s19 h ALA 245 CO 0.01 0.15 -0.04 0.87 0.00 0.00 0.00 179.25 180.24 1s19 h LYS 246 N 0.65 0.00 -0.08 0.00 1.57 -1.37 -2.28 116.57 115.06 1s19 h LYS 246 Ca 0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1s19 h LYS 246 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1s19 h LYS 246 CO -0.08 0.04 0.00 -1.33 -0.57 0.00 0.00 179.45 177.51 1s19 n MET 247 N -3.21 2.02 -2.39 3.15 2.81 -0.64 -4.60 117.12 114.25 1s19 n MET 247 Ca -0.01 -1.49 -0.43 0.00 -1.81 0.00 0.00 57.70 53.96 1s19 n MET 247 Cb 0.24 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.26 1s19 n MET 247 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1s19 s ILE 248 N -1.93 4.16 -0.22 2.02 1.01 -0.86 -4.81 121.20 120.58 1s19 s ILE 248 Ca 0.34 1.46 -0.38 0.00 0.00 0.00 0.00 60.65 62.07 1s19 s ILE 248 Cb 0.20 -3.94 -0.14 0.00 0.01 0.00 0.00 42.46 38.59 1s19 s ILE 248 CO 0.31 -0.06 1.79 -2.65 0.00 0.00 0.00 174.94 174.34 1s19 n PRO 249 N 5.89 1.49 0.00 2.79 -0.02 -1.26 -1.17 135.00 142.71 1s19 n PRO 249 Ca 0.13 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1s19 n PRO 249 Cb 0.45 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 1s19 n PRO 249 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s19 n GLY 250 N 4.28 2.96 0.26 -1.23 0.00 -1.26 -4.93 105.19 105.27 1s19 n GLY 250 Ca 0.25 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.30 1s19 n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1s19 h PHE 251 N 0.00 0.45 0.00 1.61 3.57 -1.44 -0.12 116.94 121.01 1s19 h PHE 251 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1s19 h PHE 251 Cb 0.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1s19 h PHE 251 CO 0.00 0.07 0.00 0.54 -2.23 0.00 0.00 178.31 176.69 1s19 n ARG 252 N -5.01 0.10 0.15 1.11 1.74 -1.26 -2.03 116.66 111.45 1s19 n ARG 252 Ca 0.12 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.54 1s19 n ARG 252 Cb 0.35 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.48 1s19 n ARG 252 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1s19 h ASP 253 N 0.00 0.00 -4.33 0.55 3.32 -1.39 -3.46 116.42 111.10 1s19 h ASP 253 Ca 0.00 -0.03 -0.51 0.00 0.02 0.00 0.00 57.03 56.51 1s19 h ASP 253 Cb 0.16 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.80 1s19 h ASP 253 CO 0.00 0.02 0.37 -0.76 -1.72 0.00 0.00 179.24 177.15 1s19 s LEU 254 N -5.36 3.07 0.61 1.55 1.43 -0.86 -5.02 118.68 114.10 1s19 s LEU 254 Ca 0.06 1.56 -0.16 0.00 -1.03 0.00 0.00 54.13 54.56 1s19 s LEU 254 Cb 0.09 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.86 1s19 s LEU 254 CO 0.69 -1.48 1.09 0.42 0.23 0.00 0.00 176.35 177.30 1s19 s THR 255 N -3.07 3.51 0.49 5.49 -4.23 -1.26 -4.85 115.64 111.72 1s19 s THR 255 Ca 0.58 0.74 0.15 0.00 -1.18 0.00 0.00 61.69 61.99 1s19 s THR 255 Cb -0.14 -3.26 0.24 0.00 1.34 0.00 0.00 72.50 70.67 1s19 s THR 255 CO 0.55 -0.39 2.09 0.77 -0.54 0.00 0.00 174.62 177.09 1s19 h SER 256 N 0.43 0.01 -0.43 3.99 4.64 -1.95 -1.30 113.55 118.93 1s19 h SER 256 Ca -0.47 -0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.86 1s19 h SER 256 Cb 1.24 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1s19 h SER 256 CO 0.56 0.07 0.27 -0.08 -0.87 0.00 0.00 176.83 176.79 1s19 h GLU 257 N 0.01 0.54 -0.08 4.77 4.81 -2.00 -1.21 114.58 121.42 1s19 h GLU 257 Ca 0.00 -0.03 -0.16 0.00 -0.13 0.00 0.00 59.36 59.03 1s19 h GLU 257 Cb 0.12 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1s19 h GLU 257 CO 0.01 0.36 -0.66 -0.44 -0.73 0.00 0.00 179.01 177.54 1s19 h ASP 258 N 0.56 0.38 -0.22 1.04 3.45 -1.71 -2.64 116.42 117.27 1s19 h ASP 258 Ca 0.16 -0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.39 1s19 h ASP 258 Cb -0.04 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.61 1s19 h ASP 258 CO -0.05 0.93 0.12 1.56 -1.57 0.00 0.00 179.24 180.23 1s19 h GLN 259 N 0.23 0.30 -0.56 3.56 4.20 -0.83 -1.26 115.11 120.75 1s19 h GLN 259 Ca -0.02 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.58 1s19 h GLN 259 Cb 1.20 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 1s19 h GLN 259 CO 0.11 0.27 0.02 0.82 -0.67 0.00 0.00 178.83 179.38 1s19 h ILE 260 N 0.24 1.26 -0.47 2.54 1.08 -1.25 -0.87 117.51 120.04 1s19 h ILE 260 Ca 0.08 -1.07 -0.02 0.00 -0.39 0.00 0.00 64.86 63.45 1s19 h ILE 260 Cb 0.06 0.81 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 1s19 h ILE 260 CO -0.01 0.39 0.20 0.58 -0.69 0.00 0.00 178.15 178.62 1s19 h VAL 261 N 0.87 1.20 -0.56 1.67 2.07 -1.27 -0.96 116.25 119.28 1s19 h VAL 261 Ca 0.16 -0.59 -0.10 0.00 0.82 0.00 0.00 66.70 66.99 1s19 h VAL 261 Cb 0.49 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1s19 h VAL 261 CO 0.02 0.23 -0.06 -0.07 0.02 0.00 0.00 177.57 177.71 1s19 h LEU 262 N 0.62 1.00 -0.22 2.57 3.38 -0.98 -1.99 115.31 119.69 1s19 h LEU 262 Ca 0.16 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1s19 h LEU 262 Cb 0.16 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1s19 h LEU 262 CO -0.02 1.09 -0.02 -0.07 0.09 0.00 0.00 178.44 179.52 1s19 h LEU 263 N 0.92 0.39 -0.85 1.67 3.38 -0.99 -2.16 115.31 117.66 1s19 h LEU 263 Ca 0.15 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 1s19 h LEU 263 Cb 0.61 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1s19 h LEU 263 CO 0.04 0.63 0.03 0.11 0.09 0.00 0.00 178.44 179.33 1s19 h LYS 264 N 0.15 0.88 -0.03 1.13 1.57 -1.16 -0.68 116.57 118.44 1s19 h LYS 264 Ca 0.06 -0.24 -0.17 0.00 -1.87 0.00 0.00 60.65 58.44 1s19 h LYS 264 Cb 0.44 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 1s19 h LYS 264 CO 0.01 0.86 -0.73 0.77 -0.57 0.00 0.00 179.45 179.80 1s19 h SER 265 N 0.82 0.21 0.00 0.86 0.02 -1.34 -3.34 113.55 110.78 1s19 h SER 265 Ca 0.16 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1s19 h SER 265 Cb 0.45 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1s19 h SER 265 CO 0.02 0.87 -0.90 -1.54 -1.14 0.00 0.00 176.83 174.13 1s19 n SER 266 N -3.76 0.83 -0.35 3.07 3.41 -0.82 -4.72 113.62 111.29 1s19 n SER 266 Ca -0.03 -0.84 -0.09 0.00 -0.26 0.00 0.00 58.87 57.66 1s19 n SER 266 Cb 0.70 1.06 -0.06 0.00 -0.26 0.00 0.00 64.21 65.66 1s19 n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s19 h ALA 267 N 2.40 -0.39 -0.33 7.33 0.00 -1.25 0.29 119.26 127.32 1s19 h ALA 267 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1s19 h ALA 267 Cb 0.44 1.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1s19 h ALA 267 CO 0.00 -0.88 0.05 0.97 0.00 0.00 0.00 179.25 179.39 1s19 h ILE 268 N -0.08 1.17 -0.36 0.00 6.09 -1.85 -1.80 117.51 120.68 1s19 h ILE 268 Ca 0.19 -0.61 -0.09 0.00 -1.37 0.00 0.00 64.86 62.98 1s19 h ILE 268 Cb 0.50 0.86 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 1s19 h ILE 268 CO -0.87 0.22 -0.14 -0.33 -3.07 0.00 0.00 178.15 173.96 1s19 h GLU 269 N 0.47 0.72 -0.13 2.19 5.08 -1.38 -1.80 114.58 119.74 1s19 h GLU 269 Ca 0.11 -0.30 -0.10 0.00 -1.00 0.00 0.00 59.36 58.06 1s19 h GLU 269 Cb 0.22 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1s19 h GLU 269 CO 0.00 0.90 -0.37 0.28 -1.00 0.00 0.00 179.01 178.82 1s19 h VAL 270 N 0.51 1.29 -0.52 3.13 2.07 -0.77 -1.16 116.25 120.81 1s19 h VAL 270 Ca 0.08 -1.44 -0.08 0.00 0.82 0.00 0.00 66.70 66.09 1s19 h VAL 270 Cb 0.67 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1s19 h VAL 270 CO 0.05 0.43 0.02 0.40 0.02 0.00 0.00 177.57 178.49 1s19 h ILE 271 N 0.23 1.26 -0.66 4.57 2.04 -1.19 0.21 117.51 123.98 1s19 h ILE 271 Ca 0.02 -1.05 -0.08 0.00 1.00 0.00 0.00 64.86 64.76 1s19 h ILE 271 Cb 0.77 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.75 1s19 h ILE 271 CO 0.06 0.37 0.12 0.24 0.00 0.00 0.00 178.15 178.94 1s19 h MET 272 N 0.77 1.08 0.39 2.37 2.86 -1.01 -1.11 114.93 120.27 1s19 h MET 272 Ca 0.15 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.48 1s19 h MET 272 Cb 0.49 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1s19 h MET 272 CO 0.02 0.99 -0.19 -0.07 1.06 0.00 0.00 176.91 178.73 1s19 h LEU 273 N 1.00 -0.44 -1.89 1.22 3.38 -0.83 -3.15 115.31 114.60 1s19 h LEU 273 Ca 0.20 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1s19 h LEU 273 Cb 0.43 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1s19 h LEU 273 CO 0.01 -0.19 -0.12 0.08 0.09 0.00 0.00 178.44 178.31 1s19 h ARG 274 N -0.69 0.00 0.00 1.13 0.11 -0.54 -2.22 114.38 112.18 1s19 h ARG 274 Ca -0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1s19 h ARG 274 Cb 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1s19 h ARG 274 CO 0.09 0.12 0.00 0.66 0.10 0.00 0.00 179.97 180.94 1s19 h SER 275 N 0.00 0.00 0.03 0.08 4.64 -1.15 -2.82 113.55 114.33 1s19 h SER 275 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s19 h SER 275 Cb 0.34 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1s19 h SER 275 CO 0.02 0.00 -0.01 -1.13 -0.87 0.00 0.00 176.83 174.84 1s19 h ASN 276 N 0.00 0.00 0.33 4.97 -0.73 -1.44 -1.29 115.58 117.43 1s19 h ASN 276 Ca 0.00 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 1s19 h ASN 276 Cb 0.41 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.00 1s19 h ASN 276 CO 0.00 0.01 -0.27 -0.08 -0.37 0.00 0.00 177.43 176.72 1s19 h GLU 277 N 0.00 0.00 -0.01 6.67 4.81 -1.71 -2.72 114.58 121.61 1s19 h GLU 277 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1s19 h GLU 277 Cb 0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1s19 h GLU 277 CO 0.00 0.27 -0.54 -1.13 -0.73 0.00 0.00 179.01 176.88 1s19 n SER 278 N -4.06 1.75 -4.76 1.04 3.41 -0.52 -4.94 113.62 105.53 1s19 n SER 278 Ca -0.02 -1.38 -0.39 0.00 -0.26 0.00 0.00 58.87 56.82 1s19 n SER 278 Cb 0.33 0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 64.81 1s19 n SER 278 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1s19 s PHE 279 N -2.44 3.51 -0.03 7.33 5.36 -0.98 -0.87 117.98 129.86 1s19 s PHE 279 Ca 0.15 1.69 0.02 0.00 -0.96 0.00 0.00 56.93 57.84 1s19 s PHE 279 Cb 0.16 -3.24 0.01 0.00 -0.34 0.00 0.00 43.02 39.61 1s19 s PHE 279 CO 0.58 -0.55 -0.09 -0.08 -1.46 0.00 0.00 175.22 173.63 1s19 s THR 280 N -1.28 0.79 -1.50 0.12 -1.32 0.65 -4.91 115.64 108.19 1s19 s THR 280 Ca 0.48 -0.34 0.28 0.00 -1.21 0.00 0.00 61.69 60.90 1s19 s THR 280 Cb -0.30 -0.72 0.53 0.00 -1.51 0.00 0.00 72.50 70.51 1s19 s THR 280 CO 0.38 0.26 1.99 0.23 -2.21 0.00 0.00 174.62 175.26 1s19 n MET 281 N 3.49 0.46 -0.20 7.08 2.81 -1.26 -1.84 117.12 127.66 1s19 n MET 281 Ca -0.20 0.02 -0.02 0.00 -1.81 0.00 0.00 57.70 55.68 1s19 n MET 281 Cb 0.53 -1.50 0.08 0.00 -0.71 0.00 0.00 33.22 31.63 1s19 n MET 281 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 1s19 h ASP 282 N 0.00 0.43 0.00 7.83 1.82 -1.95 -3.33 116.42 121.22 1s19 h ASP 282 Ca 0.00 0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 1s19 h ASP 282 Cb 0.23 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1s19 h ASP 282 CO 0.00 0.28 -0.47 -0.90 -1.61 0.00 0.00 179.24 176.54 1s19 n ASP 283 N -4.86 0.05 -3.52 2.28 5.75 -1.24 -5.04 116.55 109.97 1s19 n ASP 283 Ca 0.07 -1.89 -0.21 0.00 -0.01 0.00 0.00 54.79 52.74 1s19 n ASP 283 Cb 0.17 -0.18 0.05 0.00 -1.03 0.00 0.00 41.12 40.14 1s19 n ASP 283 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1s19 n MET 284 N 0.03 -3.49 -4.15 0.11 2.81 -0.77 -5.01 117.12 106.64 1s19 n MET 284 Ca 0.00 0.69 -0.11 0.00 -1.81 0.00 0.00 57.70 56.47 1s19 n MET 284 Cb 0.70 -5.23 -0.09 0.00 -0.71 0.00 0.00 33.22 27.89 1s19 n MET 284 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1s19 s SER 285 N -3.86 0.16 -0.37 7.83 1.04 -1.10 -4.69 113.70 112.71 1s19 s SER 285 Ca 0.25 -1.27 -0.11 0.00 0.48 0.00 0.00 55.95 55.30 1s19 s SER 285 Cb -0.06 0.38 0.02 0.00 0.10 0.00 0.00 66.02 66.47 1s19 s SER 285 CO 0.79 -0.84 0.21 0.26 0.98 0.00 0.00 173.24 174.64 1s19 s TRP 286 N -4.11 3.24 -0.31 5.02 0.51 -0.57 -0.25 118.94 122.47 1s19 s TRP 286 Ca 0.32 -0.86 -0.09 0.00 -2.12 0.00 0.00 56.10 53.35 1s19 s TRP 286 Cb 0.06 -2.45 0.00 0.00 -0.81 0.00 0.00 33.47 30.27 1s19 s TRP 286 CO 0.08 -0.62 0.13 0.99 -0.51 0.00 0.00 176.95 177.03 1s19 s THR 287 N 1.58 4.38 -0.70 2.01 2.01 -0.05 -0.29 115.64 124.58 1s19 s THR 287 Ca 0.03 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.52 1s19 s THR 287 Cb -0.19 -3.26 0.32 0.00 0.01 0.00 0.00 72.50 69.38 1s19 s THR 287 CO 0.07 0.05 1.09 0.00 -0.69 0.00 0.00 174.62 175.15 1s19 n GLY 289 N 0.11 0.99 3.96 0.00 0.00 -1.26 -4.70 105.19 104.28 1s19 n GLY 289 Ca 0.33 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1s19 n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s19 s ASN 290 N -4.00 5.82 0.47 1.61 2.20 -1.26 -4.98 114.94 114.80 1s19 s ASN 290 Ca 0.00 0.19 0.28 0.00 -0.94 0.00 0.00 52.86 52.39 1s19 s ASN 290 Cb 0.00 -1.44 1.35 0.00 -2.00 0.00 0.00 41.25 39.16 1s19 s ASN 290 CO 0.00 -0.68 1.76 1.56 -2.94 0.00 0.00 177.10 176.80 1s19 h GLN 291 N 0.46 0.17 -0.33 3.55 1.08 -1.97 0.14 115.11 118.22 1s19 h GLN 291 Ca -0.46 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 56.71 1s19 h GLN 291 Cb 1.26 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.63 1s19 h GLN 291 CO 0.56 0.12 0.11 -0.44 -0.95 0.00 0.00 178.83 178.23 1s19 h ASP 292 N 0.18 0.42 -0.96 1.46 3.45 -1.96 -2.76 116.42 116.25 1s19 h ASP 292 Ca 0.62 -0.04 -0.65 0.00 0.43 0.00 0.00 57.03 57.38 1s19 h ASP 292 Cb 2.01 -0.11 -0.30 0.00 -0.56 0.00 0.00 39.33 40.37 1s19 h ASP 292 CO -0.18 0.41 0.66 -1.22 -1.57 0.00 0.00 179.24 177.34 1s19 n TYR 293 N -4.38 3.14 -4.08 4.55 0.53 0.50 -4.88 117.16 112.55 1s19 n TYR 293 Ca 0.02 -2.85 -0.35 0.00 -1.02 0.00 0.00 57.90 53.70 1s19 n TYR 293 Cb 0.15 -1.29 -0.13 0.00 -1.03 0.00 0.00 39.34 37.05 1s19 n TYR 293 CO 0.00 0.00 0.00 0.21 -1.02 0.00 0.00 176.86 176.05 1s19 s LYS 294 N -3.76 3.55 -0.18 -0.72 2.20 -1.04 -0.98 119.74 118.81 1s19 s LYS 294 Ca 0.63 -0.56 -0.03 0.00 -0.36 0.00 0.00 55.97 55.66 1s19 s LYS 294 Cb 0.50 -3.04 -0.01 0.00 -1.51 0.00 0.00 37.83 33.76 1s19 s LYS 294 CO 0.00 -0.03 -0.07 0.71 -0.36 0.00 0.00 175.35 175.60 1s19 s TYR 295 N 1.08 2.92 0.50 4.03 1.51 0.60 -4.96 117.35 123.02 1s19 s TYR 295 Ca 0.02 -0.72 0.05 0.00 -1.01 0.00 0.00 57.07 55.41 1s19 s TYR 295 Cb -0.14 -1.99 -0.00 0.00 -0.11 0.00 0.00 41.96 39.71 1s19 s TYR 295 CO 0.01 -0.33 0.21 1.03 -1.11 0.00 0.00 175.55 175.36 1s19 s ARG 296 N 0.88 2.22 0.27 -0.62 0.52 -1.26 -1.52 118.95 119.44 1s19 s ARG 296 Ca -0.02 -2.10 -0.01 0.00 -0.52 0.00 0.00 55.73 53.08 1s19 s ARG 296 Cb -0.15 -1.88 0.48 0.00 0.52 0.00 0.00 34.95 33.92 1s19 s ARG 296 CO 0.01 -0.39 1.82 0.28 0.02 0.00 0.00 175.30 177.04 1s19 h VAL 297 N 1.14 0.92 0.00 3.52 2.07 -1.97 -1.23 116.25 120.68 1s19 h VAL 297 Ca -0.41 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.77 1s19 h VAL 297 Cb 1.29 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1s19 h VAL 297 CO 0.66 0.17 -0.14 0.77 0.02 0.00 0.00 177.57 179.05 1s19 h SER 298 N 0.91 0.00 0.76 0.57 4.64 -2.00 -2.25 113.55 116.18 1s19 h SER 298 Ca 0.45 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.60 1s19 h SER 298 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 1s19 h SER 298 CO -0.26 0.14 -0.80 0.44 -0.87 0.00 0.00 176.83 175.48 1s19 h ASP 299 N 0.00 0.03 0.49 4.97 3.32 -1.61 -2.96 116.42 120.66 1s19 h ASP 299 Ca -0.00 -0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.82 1s19 h ASP 299 Cb 0.31 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1s19 h ASP 299 CO 0.02 0.82 -0.89 0.58 -1.72 0.00 0.00 179.24 178.05 1s19 h VAL 300 N 0.01 1.46 -0.17 -1.35 2.07 -1.29 -3.05 116.25 113.92 1s19 h VAL 300 Ca -0.01 -2.53 -0.10 0.00 0.82 0.00 0.00 66.70 64.88 1s19 h VAL 300 Cb 1.42 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.60 1s19 h VAL 300 CO 0.11 0.74 -0.31 0.71 0.02 0.00 0.00 177.57 178.84 1s19 h THR 301 N 0.15 1.28 0.00 2.57 1.35 -1.49 -1.57 112.91 115.20 1s19 h THR 301 Ca -0.05 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 1s19 h THR 301 Cb 1.51 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 69.42 1s19 h THR 301 CO 0.14 0.41 0.00 0.29 -0.25 0.00 0.00 175.52 176.11 1s19 n LYS 302 N -4.09 0.21 -0.17 4.72 5.02 -1.12 -1.55 118.16 121.17 1s19 n LYS 302 Ca -0.01 0.14 0.11 0.00 -2.02 0.00 0.00 58.31 56.53 1s19 n LYS 302 Cb 0.43 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.13 1s19 n LYS 302 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s19 n ALA 303 N -1.30 2.41 -0.02 7.82 0.00 -0.60 -3.03 120.51 125.78 1s19 n ALA 303 Ca 0.07 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.54 1s19 n ALA 303 Cb 0.13 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1s19 n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s19 n GLY 304 N 1.37 0.59 3.92 0.00 0.00 -0.60 -4.69 105.19 105.78 1s19 n GLY 304 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1s19 n GLY 304 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s19 s HIS 305 N -2.03 3.48 0.39 1.61 3.76 -1.17 -4.89 115.29 116.45 1s19 s HIS 305 Ca 0.00 0.41 0.08 0.00 -0.15 0.00 0.00 55.06 55.40 1s19 s HIS 305 Cb 0.00 -1.90 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 1s19 s HIS 305 CO 0.00 0.41 0.39 -1.54 -0.85 0.00 0.00 174.74 173.15 1s19 s SER 306 N -2.88 5.23 0.62 1.40 1.04 -1.26 -4.05 113.70 113.80 1s19 s SER 306 Ca 0.39 -0.62 0.35 0.00 0.48 0.00 0.00 55.95 56.55 1s19 s SER 306 Cb -0.12 -0.70 2.03 0.00 0.10 0.00 0.00 66.02 67.34 1s19 s SER 306 CO 0.28 -0.59 2.29 -0.07 0.98 0.00 0.00 173.24 176.13 1s19 h LEU 307 N 1.02 0.00 -2.12 2.42 3.38 -1.98 -1.53 115.31 116.50 1s19 h LEU 307 Ca -0.42 0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.62 1s19 h LEU 307 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1s19 h LEU 307 CO 0.56 0.00 0.22 -0.08 0.09 0.00 0.00 178.44 179.22 1s19 h GLU 308 N 0.00 0.00 0.00 1.13 4.57 -2.01 -0.95 114.58 117.32 1s19 h GLU 308 Ca 0.00 0.00 -0.45 0.00 -1.18 0.00 0.00 59.36 57.73 1s19 h GLU 308 Cb 0.01 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.54 1s19 h GLU 308 CO -0.00 0.00 -2.53 -0.11 -1.18 0.00 0.00 179.01 175.19 1s19 n LEU 309 N -4.11 2.09 -0.05 1.64 7.94 -0.61 -4.52 117.00 119.37 1s19 n LEU 309 Ca 0.03 0.26 -0.08 0.00 -1.11 0.00 0.00 56.01 55.11 1s19 n LEU 309 Cb 0.36 -0.82 -0.02 0.00 0.53 0.00 0.00 43.42 43.47 1s19 n LEU 309 CO 0.31 0.63 0.88 0.40 -1.11 0.00 0.00 177.39 178.51 1s19 h ILE 310 N -0.84 0.88 -0.22 1.96 2.04 -1.27 -1.65 117.51 118.42 1s19 h ILE 310 Ca -0.68 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.16 1s19 h ILE 310 Cb 1.65 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1s19 h ILE 310 CO -0.37 0.02 0.08 -0.33 0.00 0.00 0.00 178.15 177.55 1s19 h GLU 311 N 0.12 0.18 -0.05 2.37 5.08 -1.45 0.37 114.58 121.19 1s19 h GLU 311 Ca 0.11 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 1s19 h GLU 311 Cb 0.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1s19 h GLU 311 CO -0.15 0.12 -0.25 -1.35 -1.00 0.00 0.00 179.01 176.38 1s19 h PRO 312 N 0.19 0.09 -0.30 2.33 0.11 -1.73 -1.78 132.00 130.91 1s19 h PRO 312 Ca 0.09 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 1s19 h PRO 312 Cb 0.05 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.14 1s19 h PRO 312 CO -0.09 0.34 -0.02 1.25 -0.21 0.00 0.00 178.00 179.27 1s19 h LEU 313 N 0.08 0.53 -0.68 2.35 5.85 -0.51 -0.67 115.31 122.26 1s19 h LEU 313 Ca 0.01 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 1s19 h LEU 313 Cb 0.49 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 1s19 h LEU 313 CO 0.03 0.73 0.19 0.40 -0.34 0.00 0.00 178.44 179.45 1s19 h ILE 314 N 0.32 1.26 -0.84 4.05 1.08 -0.65 -0.72 117.51 122.01 1s19 h ILE 314 Ca 0.08 -0.92 -0.02 0.00 -0.39 0.00 0.00 64.86 63.61 1s19 h ILE 314 Cb 0.47 0.56 -0.04 0.00 -3.07 0.00 0.00 36.82 34.73 1s19 h ILE 314 CO 0.02 0.35 0.46 0.50 -0.69 0.00 0.00 178.15 178.79 1s19 h LYS 315 N 1.01 1.17 -0.38 2.37 3.64 -1.20 -1.58 116.57 121.60 1s19 h LYS 315 Ca 0.22 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1s19 h LYS 315 Cb 0.34 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1s19 h LYS 315 CO -0.00 0.86 0.20 0.35 -2.27 0.00 0.00 179.45 178.59 1s19 h PHE 316 N 1.17 0.54 -0.64 1.91 3.57 -0.55 -0.89 116.94 122.04 1s19 h PHE 316 Ca 0.30 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.79 1s19 h PHE 316 Cb 0.03 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 1s19 h PHE 316 CO 0.01 0.43 0.42 1.96 -2.23 0.00 0.00 178.31 178.89 1s19 h GLN 317 N 0.49 0.82 -0.27 1.11 1.08 -0.63 -0.84 115.11 116.88 1s19 h GLN 317 Ca 0.13 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 1s19 h GLN 317 Cb 0.08 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 1s19 h GLN 317 CO -0.02 0.54 0.02 0.28 -0.95 0.00 0.00 178.83 178.70 1s19 h VAL 318 N 0.84 1.25 -0.87 -0.54 2.07 -1.14 -0.77 116.25 117.09 1s19 h VAL 318 Ca 0.24 -0.86 0.03 0.00 0.82 0.00 0.00 66.70 66.93 1s19 h VAL 318 Cb -0.07 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1s19 h VAL 318 CO -0.06 0.27 0.57 1.23 0.02 0.00 0.00 177.57 179.61 1s19 h GLY 319 N 0.25 1.24 1.05 2.17 0.00 -0.88 -1.67 103.07 105.24 1s19 h GLY 319 Ca 0.08 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 46.81 1s19 h GLY 319 CO 0.01 0.40 -0.47 -2.00 0.00 0.00 0.00 176.54 174.48 1s19 h LEU 320 N 1.12 0.86 -0.89 3.11 5.85 -1.00 -3.12 115.31 121.23 1s19 h LEU 320 Ca 0.34 -0.53 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1s19 h LEU 320 Cb -0.03 -0.25 -0.06 0.00 0.37 0.00 0.00 40.66 40.70 1s19 h LEU 320 CO -0.09 1.23 0.56 0.11 -0.34 0.00 0.00 178.44 179.91 1s19 h LYS 321 N 0.52 1.03 0.00 1.25 1.79 -0.66 -2.23 116.57 118.27 1s19 h LYS 321 Ca 0.01 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1s19 h LYS 321 Cb 1.07 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 31.49 1s19 h LYS 321 CO 0.11 0.68 -0.05 0.87 -1.08 0.00 0.00 179.45 179.97 1s19 h LYS 322 N 1.06 0.00 0.00 3.15 1.57 -1.26 -1.87 116.57 119.22 1s19 h LYS 322 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1s19 h LYS 322 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1s19 h LYS 322 CO -0.15 0.05 0.00 -0.07 -0.57 0.00 0.00 179.45 178.72 1s19 h LEU 323 N 0.00 0.00 -2.65 2.94 3.38 -1.39 -3.47 115.31 114.12 1s19 h LEU 323 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 1s19 h LEU 323 Cb 0.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.03 1s19 h LEU 323 CO 0.01 0.00 -0.92 0.59 0.09 0.00 0.00 178.44 178.21 1s19 n ASN 324 N -2.80 -2.90 -4.77 -0.43 3.02 -0.70 -4.89 115.26 101.78 1s19 n ASN 324 Ca 0.01 -1.03 -0.37 0.00 -0.03 0.00 0.00 54.58 53.15 1s19 n ASN 324 Cb 0.26 -3.13 -0.00 0.00 -0.61 0.00 0.00 39.78 36.30 1s19 n ASN 324 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1s19 s LEU 325 N -6.77 4.01 0.65 3.41 1.43 -1.26 -5.02 118.68 115.13 1s19 s LEU 325 Ca 0.26 2.40 -0.12 0.00 -1.03 0.00 0.00 54.13 55.63 1s19 s LEU 325 Cb -0.10 -4.22 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 1s19 s LEU 325 CO 0.88 -1.00 1.04 -1.00 0.23 0.00 0.00 176.35 176.51 1s19 s HIS 326 N -1.49 3.29 0.37 0.29 3.76 -1.26 -4.85 115.29 115.41 1s19 s HIS 326 Ca 0.64 1.39 0.04 0.00 -0.15 0.00 0.00 55.06 56.98 1s19 s HIS 326 Cb -0.31 -2.83 0.71 0.00 1.11 0.00 0.00 32.58 31.26 1s19 s HIS 326 CO 0.38 -0.99 2.02 1.49 -0.85 0.00 0.00 174.74 176.79 1s19 h GLU 327 N -0.37 0.75 -0.89 1.40 4.81 -1.99 -1.11 114.58 117.17 1s19 h GLU 327 Ca -0.44 -0.04 0.05 0.00 -0.13 0.00 0.00 59.36 58.79 1s19 h GLU 327 Cb 1.20 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 30.36 1s19 h GLU 327 CO 0.59 0.49 0.57 0.93 -0.73 0.00 0.00 179.01 180.86 1s19 h GLU 328 N 0.77 1.04 -0.25 1.92 3.07 -1.97 -0.89 114.58 118.27 1s19 h GLU 328 Ca 0.22 -0.06 -0.19 0.00 -0.50 0.00 0.00 59.36 58.83 1s19 h GLU 328 Cb -0.03 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 27.64 1s19 h GLU 328 CO -0.05 0.69 -0.59 0.93 -1.40 0.00 0.00 179.01 178.59 1s19 h GLU 329 N 1.08 0.83 -0.22 2.33 5.08 -1.64 -2.70 114.58 119.33 1s19 h GLU 329 Ca 0.37 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1s19 h GLU 329 Cb 0.08 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1s19 h GLU 329 CO -0.14 1.18 0.13 1.25 -1.00 0.00 0.00 179.01 180.43 1s19 h HIS 330 N 0.62 0.29 -0.05 4.33 2.76 -0.71 -0.99 115.15 121.42 1s19 h HIS 330 Ca 0.00 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.04 1s19 h HIS 330 Cb 1.19 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 30.04 1s19 h HIS 330 CO 0.07 0.23 -0.57 -0.39 -1.30 0.00 0.00 177.93 175.97 1s19 h VAL 331 N 0.27 1.39 -0.42 5.26 -1.51 -1.23 -2.55 116.25 117.46 1s19 h VAL 331 Ca 0.08 -1.93 -0.13 0.00 -1.23 0.00 0.00 66.70 63.48 1s19 h VAL 331 Cb 0.03 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 1s19 h VAL 331 CO -0.01 0.56 -0.26 -0.07 -1.23 0.00 0.00 177.57 176.56 1s19 h LEU 332 N 0.11 0.91 -0.67 4.19 3.38 -1.33 -2.22 115.31 119.68 1s19 h LEU 332 Ca -0.00 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.57 1s19 h LEU 332 Cb 1.05 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1s19 h LEU 332 CO 0.08 1.11 0.27 0.25 0.09 0.00 0.00 178.44 180.24 1s19 h LEU 333 N 0.75 0.93 -0.78 1.67 5.85 -0.99 -0.56 115.31 122.18 1s19 h LEU 333 Ca 0.09 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1s19 h LEU 333 Cb 0.81 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1s19 h LEU 333 CO 0.07 0.85 0.01 0.24 -0.34 0.00 0.00 178.44 179.26 1s19 h MET 334 N 0.95 0.93 -0.22 1.25 2.86 -1.34 -1.25 114.93 118.12 1s19 h MET 334 Ca 0.22 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1s19 h MET 334 Cb 0.21 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1s19 h MET 334 CO -0.02 0.92 0.05 0.00 1.06 0.00 0.00 176.91 178.93 1s19 h ALA 335 N 1.13 0.28 -0.59 6.32 0.00 -1.07 -2.39 119.26 122.95 1s19 h ALA 335 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1s19 h ALA 335 Cb 0.50 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1s19 h ALA 335 CO 0.02 -0.07 0.32 0.82 0.00 0.00 0.00 179.25 180.35 1s19 h ILE 336 N 0.17 1.18 -0.56 0.00 2.04 -0.96 -1.86 117.51 117.52 1s19 h ILE 336 Ca 0.07 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 1s19 h ILE 336 Cb 0.27 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1s19 h ILE 336 CO 0.00 0.20 0.17 0.00 0.00 0.00 0.00 178.15 178.52 1s19 h ILE 338 N 0.79 1.32 -0.84 0.00 2.04 -1.03 -3.34 117.51 116.45 1s19 h ILE 338 Ca 0.18 -1.14 -0.73 0.00 1.00 0.00 0.00 64.86 64.17 1s19 h ILE 338 Cb 0.29 1.74 -0.09 0.00 -0.74 0.00 0.00 36.82 38.01 1s19 h ILE 338 CO -0.01 0.34 2.64 0.52 0.00 0.00 0.00 178.15 181.64 1s19 n VAL 339 N -4.62 4.44 -3.88 1.67 0.31 -0.74 -4.81 118.33 110.70 1s19 n VAL 339 Ca -0.06 -3.83 -0.36 0.00 -0.01 0.00 0.00 64.34 60.08 1s19 n VAL 339 Cb 0.31 -2.36 -0.11 0.00 -0.91 0.00 0.00 33.84 30.76 1s19 n VAL 339 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1s19 s SER 340 N 1.34 5.40 0.50 4.52 0.01 -1.25 -4.44 113.70 119.78 1s19 s SER 340 Ca 0.50 -0.07 0.31 0.00 1.31 0.00 0.00 55.95 58.00 1s19 s SER 340 Cb 0.14 -1.95 1.17 0.00 0.21 0.00 0.00 66.02 65.60 1s19 s SER 340 CO -0.05 0.06 1.90 1.55 0.41 0.00 0.00 173.24 177.11 1s19 h PRO 341 N 7.55 0.00 -1.29 12.44 0.13 -1.88 -3.27 132.00 145.69 1s19 h PRO 341 Ca -0.37 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.24 1s19 h PRO 341 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 1s19 h PRO 341 CO 0.63 0.00 0.67 -0.40 -0.23 0.00 0.00 178.00 178.67 1s19 n ASP 342 N -3.00 7.14 -4.84 1.44 3.85 -1.26 -4.86 116.55 115.02 1s19 n ASP 342 Ca 0.01 -3.46 -0.36 0.00 -0.71 0.00 0.00 54.79 50.27 1s19 n ASP 342 Cb 0.33 -1.02 -0.07 0.00 -1.35 0.00 0.00 41.12 39.01 1s19 n ASP 342 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1s19 s ARG 343 N -2.91 3.65 0.18 0.11 1.81 -1.23 -5.04 118.95 115.52 1s19 s ARG 343 Ca 0.50 -0.16 -0.33 0.00 -1.72 0.00 0.00 55.73 54.02 1s19 s ARG 343 Cb 0.39 -3.26 -0.13 0.00 -0.45 0.00 0.00 34.95 31.50 1s19 s ARG 343 CO -0.03 0.64 1.63 -2.30 -0.68 0.00 0.00 175.30 174.57 1s19 n PRO 344 N 2.42 2.39 -0.43 3.54 -0.02 -1.26 -2.81 135.00 138.83 1s19 n PRO 344 Ca -0.19 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1s19 n PRO 344 Cb 0.54 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1s19 n PRO 344 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s19 n GLY 345 N 3.59 0.73 3.76 -1.23 0.00 -1.26 -5.00 105.19 105.78 1s19 n GLY 345 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1s19 n GLY 345 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s19 s VAL 346 N -2.67 3.19 -0.14 1.61 -7.23 -1.12 -4.96 120.40 109.07 1s19 s VAL 346 Ca 0.00 1.19 -0.10 0.00 -1.81 0.00 0.00 61.98 61.26 1s19 s VAL 346 Cb 0.00 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 1s19 s VAL 346 CO 0.00 0.27 -0.12 -0.61 -0.31 0.00 0.00 175.10 174.33 1s19 h GLN 347 N 3.56 0.00 -3.30 4.82 4.15 -1.94 -3.42 115.11 118.98 1s19 h GLN 347 Ca -0.48 0.00 -0.80 0.00 0.77 0.00 0.00 58.65 58.14 1s19 h GLN 347 Cb 1.22 0.00 -0.28 0.00 0.21 0.00 0.00 27.48 28.63 1s19 h GLN 347 CO 0.66 0.10 0.58 -3.47 -1.93 0.00 0.00 178.83 174.77 1s19 n ASP 348 N -4.62 5.86 0.01 -0.69 4.64 -1.26 -4.85 116.55 115.65 1s19 n ASP 348 Ca -0.09 -3.19 0.02 0.00 -1.38 0.00 0.00 54.79 50.15 1s19 n ASP 348 Cb 0.28 -1.33 0.36 0.00 -1.04 0.00 0.00 41.12 39.39 1s19 n ASP 348 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1s19 h ALA 349 N 6.16 1.54 -0.51 -1.67 0.00 -1.89 -2.45 119.26 120.44 1s19 h ALA 349 Ca 0.19 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1s19 h ALA 349 Cb 0.77 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1s19 h ALA 349 CO 1.14 0.35 0.17 0.00 0.00 0.00 0.00 179.25 180.92 1s19 h ALA 350 N 1.63 0.67 0.08 0.00 0.00 -1.96 -0.14 119.26 119.54 1s19 h ALA 350 Ca 0.13 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1s19 h ALA 350 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1s19 h ALA 350 CO -0.01 0.31 -0.04 1.25 0.00 0.00 0.00 179.25 180.76 1s19 h LEU 351 N 0.69 -0.09 -1.04 0.00 6.46 -1.92 -1.76 115.31 117.66 1s19 h LEU 351 Ca 0.17 -0.19 0.10 0.00 -0.12 0.00 0.00 57.88 57.84 1s19 h LEU 351 Cb 0.25 0.02 -0.08 0.00 -0.73 0.00 0.00 40.66 40.13 1s19 h LEU 351 CO -0.01 0.14 0.63 0.40 -0.62 0.00 0.00 178.44 178.98 1s19 h ILE 352 N -0.32 0.98 -0.31 4.05 2.04 -1.34 -1.13 117.51 121.48 1s19 h ILE 352 Ca -0.01 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 1s19 h ILE 352 Cb 0.27 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.19 1s19 h ILE 352 CO 0.02 0.19 -0.23 -0.08 0.00 0.00 0.00 178.15 178.05 1s19 h GLU 353 N 1.04 0.60 -0.54 2.37 4.81 -0.79 -0.85 114.58 121.22 1s19 h GLU 353 Ca 0.47 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1s19 h GLU 353 Cb 0.38 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1s19 h GLU 353 CO -0.22 0.78 0.10 0.00 -0.73 0.00 0.00 179.01 178.94 1s19 h ALA 354 N 1.22 0.71 -0.19 2.92 0.00 -0.33 0.48 119.26 124.07 1s19 h ALA 354 Ca 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 1s19 h ALA 354 Cb 0.68 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1s19 h ALA 354 CO 0.05 0.45 0.06 0.82 0.00 0.00 0.00 179.25 180.63 1s19 h ILE 355 N 0.77 1.18 -0.64 0.00 2.04 -1.03 -2.29 117.51 117.54 1s19 h ILE 355 Ca 0.16 -0.56 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1s19 h ILE 355 Cb 0.39 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1s19 h ILE 355 CO 0.01 0.18 0.18 -0.61 0.00 0.00 0.00 178.15 177.91 1s19 h GLN 356 N 0.14 1.00 -0.79 2.37 4.15 -1.01 -2.74 115.11 118.22 1s19 h GLN 356 Ca 0.06 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.30 1s19 h GLN 356 Cb 0.21 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.71 1s19 h GLN 356 CO -0.00 0.89 0.50 -0.44 -1.93 0.00 0.00 178.83 177.85 1s19 h ASP 357 N 0.92 0.82 -0.54 -0.69 3.32 -0.80 0.41 116.42 119.86 1s19 h ASP 357 Ca 0.20 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 1s19 h ASP 357 Cb 0.32 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1s19 h ASP 357 CO -0.00 0.56 0.34 -0.09 -1.72 0.00 0.00 179.24 178.32 1s19 h ARG 358 N 0.96 0.74 -0.02 3.56 2.43 -1.16 0.14 114.38 121.02 1s19 h ARG 358 Ca 0.32 -0.05 -0.25 0.00 -0.81 0.00 0.00 59.98 59.19 1s19 h ARG 358 Cb 0.05 -0.16 0.02 0.00 -0.42 0.00 0.00 29.97 29.46 1s19 h ARG 358 CO -0.13 0.51 -0.97 -0.07 -1.51 0.00 0.00 179.97 177.81 1s19 h LEU 359 N 0.76 0.89 -0.31 3.80 3.38 -0.92 -2.66 115.31 120.24 1s19 h LEU 359 Ca 0.20 -0.72 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1s19 h LEU 359 Cb -0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1s19 h LEU 359 CO -0.04 1.49 0.14 0.28 0.09 0.00 0.00 178.44 180.40 1s19 h SER 360 N 0.38 0.42 0.01 -0.43 0.02 0.35 -1.19 113.55 113.10 1s19 h SER 360 Ca -0.11 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 1s19 h SER 360 Cb 1.62 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.04 1s19 h SER 360 CO 0.19 0.45 -0.12 0.78 -1.14 0.00 0.00 176.83 176.99 1s19 h ASN 361 N 0.36 0.23 -0.31 3.07 2.35 -0.82 0.38 115.58 120.83 1s19 h ASN 361 Ca 0.10 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1s19 h ASN 361 Cb 0.15 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1s19 h ASN 361 CO -0.01 0.38 -0.10 0.74 -1.65 0.00 0.00 177.43 176.79 1s19 h THR 362 N 0.23 1.28 -0.13 2.81 2.02 -1.09 -1.16 112.91 116.87 1s19 h THR 362 Ca 0.05 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 1s19 h THR 362 Cb 0.36 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 1s19 h THR 362 CO 0.02 0.37 0.03 0.25 0.37 0.00 0.00 175.52 176.56 1s19 h LEU 363 N 0.39 0.21 -0.68 2.58 5.85 -0.72 -0.39 115.31 122.55 1s19 h LEU 363 Ca 0.08 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1s19 h LEU 363 Cb 0.60 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1s19 h LEU 363 CO 0.04 0.40 0.44 -0.61 -0.34 0.00 0.00 178.44 178.36 1s19 h GLN 364 N 0.00 0.84 -0.43 1.25 4.15 -0.92 -1.42 115.11 118.58 1s19 h GLN 364 Ca 0.04 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.33 1s19 h GLN 364 Cb 0.28 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 1s19 h GLN 364 CO 0.00 0.56 -0.03 1.15 -1.93 0.00 0.00 178.83 178.58 1s19 h THR 365 N 0.87 1.27 -0.67 2.39 2.02 -1.11 -2.73 112.91 114.94 1s19 h THR 365 Ca 0.27 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.36 1s19 h THR 365 Cb -0.02 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1s19 h THR 365 CO -0.09 0.37 0.45 0.22 0.37 0.00 0.00 175.52 176.84 1s19 h TYR 366 N 0.62 0.85 0.00 3.16 5.03 -0.72 -1.58 116.97 124.33 1s19 h TYR 366 Ca 0.12 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.45 1s19 h TYR 366 Cb 0.54 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.53 1s19 h TYR 366 CO 0.04 0.53 -0.00 0.82 -1.32 0.00 0.00 178.16 178.23 1s19 h ILE 367 N 0.91 1.07 0.00 1.81 2.04 -1.18 0.81 117.51 122.97 1s19 h ILE 367 Ca 0.25 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 1s19 h ILE 367 Cb -0.11 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1s19 h ILE 367 CO -0.05 0.06 -0.16 0.03 0.00 0.00 0.00 178.15 178.03 1s19 h ARG 368 N -0.09 0.00 0.03 2.37 3.08 -1.42 -1.99 114.38 116.36 1s19 h ARG 368 Ca -0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 1s19 h ARG 368 Cb 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 1s19 h ARG 368 CO 0.00 0.16 -2.30 0.00 -1.07 0.00 0.00 179.97 176.76 1s19 n ARG 370 N -3.55 2.31 -3.06 0.00 5.12 0.28 -4.95 116.66 112.81 1s19 n ARG 370 Ca -0.43 -0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.03 1s19 n ARG 370 Cb 0.97 -1.10 -0.06 0.00 -1.16 0.00 0.00 32.46 31.11 1s19 n ARG 370 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1s19 s HIS 371 N -2.28 3.09 0.54 -1.55 2.46 -0.75 -5.01 115.29 111.79 1s19 s HIS 371 Ca 0.01 0.26 -0.19 0.00 0.47 0.00 0.00 55.06 55.61 1s19 s HIS 371 Cb 0.08 -3.33 -0.06 0.00 -0.13 0.00 0.00 32.58 29.13 1s19 s HIS 371 CO 0.44 -0.77 1.09 -1.25 -2.47 0.00 0.00 174.74 171.77 1s19 s PRO 372 N 2.91 3.45 0.86 2.88 0.04 -1.26 -4.65 135.00 139.23 1s19 s PRO 372 Ca 0.26 1.45 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 1s19 s PRO 372 Cb -0.14 -2.03 0.11 0.00 0.04 0.00 0.00 34.50 32.47 1s19 s PRO 372 CO 0.18 -0.74 1.11 -1.25 0.04 0.00 0.00 177.00 176.34 1s19 s PRO 373 N -3.45 1.59 0.63 0.56 0.04 -1.26 -4.45 135.00 128.66 1s19 s PRO 373 Ca 0.69 0.49 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 1s19 s PRO 373 Cb -0.20 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1s19 s PRO 373 CO 0.27 -1.93 1.06 -1.25 0.04 0.00 0.00 177.00 175.19 1s19 s PRO 374 N -5.19 3.19 0.00 0.56 0.04 -1.26 -4.93 135.00 127.40 1s19 s PRO 374 Ca 0.62 1.11 0.00 0.00 0.04 0.00 0.00 61.00 62.77 1s19 s PRO 374 Cb -0.15 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.37 1s19 s PRO 374 CO 0.54 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1s19 n GLY 375 N -1.36 0.71 0.42 0.56 0.00 -1.26 -4.98 105.19 99.27 1s19 n GLY 375 Ca 0.08 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 1s19 n GLY 375 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s19 h SER 376 N 0.00 -1.58 -3.59 1.61 0.02 -1.83 -3.33 113.55 104.85 1s19 h SER 376 Ca 0.00 0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 61.11 1s19 h SER 376 Cb 0.00 0.67 0.01 0.00 0.14 0.00 0.00 62.40 63.22 1s19 h SER 376 CO 0.00 -0.39 0.02 1.57 -1.14 0.00 0.00 176.83 176.89 1s19 n HIS 377 N -5.41 -3.31 0.00 3.45 -0.00 -1.26 -4.34 115.22 104.35 1s19 n HIS 377 Ca -0.02 -0.27 0.00 0.00 -0.00 0.00 0.00 57.72 57.44 1s19 n HIS 377 Cb 0.35 -0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.23 1s19 n HIS 377 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23 1s19 n LEU 378 N 0.00 0.00 -0.29 0.27 7.94 -1.26 -4.67 117.00 118.98 1s19 n LEU 378 Ca 0.02 0.00 -0.05 0.00 -1.11 0.00 0.00 56.01 54.88 1s19 n LEU 378 Cb 0.09 0.00 0.07 0.00 0.53 0.00 0.00 43.42 44.11 1s19 n LEU 378 CO 0.06 0.00 1.13 0.25 -1.11 0.00 0.00 177.39 177.72 1s19 h LEU 379 N 0.00 1.00 -0.45 -1.96 5.85 -1.76 -1.90 115.31 116.09 1s19 h LEU 379 Ca 0.00 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1s19 h LEU 379 Cb 0.00 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 1s19 h LEU 379 CO 0.00 0.82 0.29 0.22 -0.34 0.00 0.00 178.44 179.43 1s19 h TYR 380 N 1.11 0.55 -0.69 1.25 3.20 -1.86 -0.90 116.97 119.62 1s19 h TYR 380 Ca 0.28 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.11 1s19 h TYR 380 Cb 0.04 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1s19 h TYR 380 CO 0.00 0.34 0.23 0.00 -1.64 0.00 0.00 178.16 177.10 1s19 h ALA 381 N 1.17 1.10 -0.19 1.82 0.00 -1.88 -1.13 119.26 120.15 1s19 h ALA 381 Ca 0.17 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1s19 h ALA 381 Cb -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1s19 h ALA 381 CO -0.05 0.62 -0.30 0.87 0.00 0.00 0.00 179.25 180.39 1s19 h LYS 382 N 1.01 0.38 -0.26 0.00 1.57 -0.96 -2.04 116.57 116.27 1s19 h LYS 382 Ca 0.23 -0.15 -0.19 0.00 -1.87 0.00 0.00 60.65 58.67 1s19 h LYS 382 Cb 0.26 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1s19 h LYS 382 CO -0.01 0.65 -0.57 0.52 -0.57 0.00 0.00 179.45 179.47 1s19 h MET 383 N 0.33 0.82 -0.23 3.15 2.86 -0.62 -2.84 114.93 118.40 1s19 h MET 383 Ca 0.04 -0.53 -0.09 0.00 -2.06 0.00 0.00 59.70 57.07 1s19 h MET 383 Cb 0.70 0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1s19 h MET 383 CO 0.05 1.16 -0.23 0.82 1.06 0.00 0.00 176.91 179.77 1s19 h ILE 384 N 0.62 1.26 0.00 -1.22 1.08 -1.06 -2.43 117.51 115.76 1s19 h ILE 384 Ca 0.01 -1.20 -0.07 0.00 -0.39 0.00 0.00 64.86 63.20 1s19 h ILE 384 Cb 1.17 1.33 -0.01 0.00 -3.07 0.00 0.00 36.82 36.25 1s19 h ILE 384 CO 0.12 0.38 -0.35 -0.61 -0.69 0.00 0.00 178.15 177.00 1s19 h GLN 385 N 0.39 0.00 -0.21 2.37 5.75 -1.28 -2.32 115.11 119.81 1s19 h GLN 385 Ca 0.06 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 1s19 h GLN 385 Cb 0.62 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 1s19 h GLN 385 CO 0.04 0.35 -0.23 0.87 -2.65 0.00 0.00 178.83 177.21 1s19 h LYS 386 N 0.00 0.38 -0.48 1.69 1.79 -1.19 -0.89 116.57 117.87 1s19 h LYS 386 Ca -0.00 -0.13 -0.08 0.00 -2.18 0.00 0.00 60.65 58.25 1s19 h LYS 386 Cb 0.69 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.29 1s19 h LYS 386 CO 0.05 0.60 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.91 1s19 h LEU 387 N 0.34 0.79 -0.54 2.94 3.38 -1.34 -0.86 115.31 120.03 1s19 h LEU 387 Ca 0.05 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 1s19 h LEU 387 Cb 0.60 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 1s19 h LEU 387 CO 0.04 0.87 -0.11 0.00 0.09 0.00 0.00 178.44 179.33 1s19 h ALA 388 N 1.21 0.74 -0.99 1.53 0.00 -1.25 -2.74 119.26 117.76 1s19 h ALA 388 Ca 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1s19 h ALA 388 Cb 0.50 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1s19 h ALA 388 CO 0.03 0.66 0.66 -0.44 0.00 0.00 0.00 179.25 180.15 1s19 h ASP 389 N 0.90 1.14 -0.34 0.00 3.45 -0.67 -2.42 116.42 118.48 1s19 h ASP 389 Ca 0.14 -0.03 -0.04 0.00 0.43 0.00 0.00 57.03 57.53 1s19 h ASP 389 Cb 0.68 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.15 1s19 h ASP 389 CO 0.05 0.82 0.10 -0.07 -1.57 0.00 0.00 179.24 178.57 1s19 h LEU 390 N 1.34 0.56 -0.66 1.55 3.38 -0.89 -2.31 115.31 118.28 1s19 h LEU 390 Ca 0.36 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1s19 h LEU 390 Cb -0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 1s19 h LEU 390 CO -0.08 0.57 0.42 0.03 0.09 0.00 0.00 178.44 179.47 1s19 h ARG 391 N 0.60 0.89 -0.38 1.13 2.47 -1.18 0.11 114.38 118.02 1s19 h ARG 391 Ca 0.14 -0.07 -0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1s19 h ARG 391 Cb 0.23 -0.19 -0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1s19 h ARG 391 CO -0.00 0.61 0.14 0.77 0.56 0.00 0.00 179.97 182.04 1s19 h SER 392 N 0.90 0.54 -0.71 7.04 0.02 -1.39 -1.40 113.55 118.55 1s19 h SER 392 Ca 0.24 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1s19 h SER 392 Cb -0.07 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1s19 h SER 392 CO -0.05 0.57 0.31 -0.07 -1.14 0.00 0.00 176.83 176.46 1s19 h LEU 393 N 0.47 0.98 -0.43 5.07 3.38 -1.10 -1.88 115.31 121.80 1s19 h LEU 393 Ca 0.13 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1s19 h LEU 393 Cb 0.21 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1s19 h LEU 393 CO -0.01 0.86 0.26 -1.13 0.09 0.00 0.00 178.44 178.50 1s19 h ASN 394 N 1.05 0.42 -0.17 -0.43 -0.73 -0.36 0.07 115.58 115.43 1s19 h ASN 394 Ca 0.25 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.42 1s19 h ASN 394 Cb 0.17 -0.09 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1s19 h ASN 394 CO -0.02 0.30 0.10 -0.08 -0.37 0.00 0.00 177.43 177.35 1s19 h GLU 395 N 0.52 0.24 -0.80 6.67 4.81 -0.83 -1.70 114.58 123.50 1s19 h GLU 395 Ca 0.17 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1s19 h GLU 395 Cb 0.01 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1s19 h GLU 395 CO -0.08 0.23 0.31 1.49 -0.73 0.00 0.00 179.01 180.23 1s19 h GLU 396 N 0.19 1.20 -0.80 1.92 4.57 -1.11 -2.08 114.58 118.47 1s19 h GLU 396 Ca 0.06 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1s19 h GLU 396 Cb 0.05 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 28.41 1s19 h GLU 396 CO -0.01 0.97 0.46 1.25 -1.18 0.00 0.00 179.01 180.51 1s19 h HIS 397 N 1.17 1.08 -0.66 0.92 2.76 -0.74 -1.72 115.15 117.96 1s19 h HIS 397 Ca 0.27 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.41 1s19 h HIS 397 Cb 0.23 -0.35 -0.03 0.00 1.55 0.00 0.00 27.41 28.81 1s19 h HIS 397 CO 0.02 0.74 0.36 1.03 -1.30 0.00 0.00 177.93 178.78 1s19 h SER 398 N 1.10 0.82 -0.17 3.26 0.87 -0.95 0.12 113.55 118.61 1s19 h SER 398 Ca 0.28 -0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1s19 h SER 398 Cb -0.00 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 1s19 h SER 398 CO -0.05 0.68 0.11 0.11 -0.53 0.00 0.00 176.83 177.15 1s19 h LYS 399 N 0.90 0.23 -0.03 2.24 1.57 -0.97 -1.97 116.57 118.52 1s19 h LYS 399 Ca 0.23 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.90 1s19 h LYS 399 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1s19 h LYS 399 CO -0.04 0.18 -0.42 1.96 -0.57 0.00 0.00 179.45 180.56 1s19 h GLN 400 N 0.21 0.08 -0.41 3.15 4.20 -1.03 -2.83 115.11 118.47 1s19 h GLN 400 Ca 0.06 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 1s19 h GLN 400 Cb 0.00 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1s19 h GLN 400 CO -0.01 0.49 0.00 -0.92 -0.67 0.00 0.00 178.83 177.72 1s19 h TYR 401 N 0.06 0.79 -0.20 2.96 3.20 -0.48 -1.94 116.97 121.36 1s19 h TYR 401 Ca 0.00 -0.13 0.05 0.00 3.14 0.00 0.00 58.73 61.79 1s19 h TYR 401 Cb 0.78 -0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 1s19 h TYR 401 CO 0.00 0.79 -0.17 -0.09 -1.64 0.00 0.00 178.16 177.05 1s19 h ARG 402 N 0.55 -0.18 -0.86 1.82 2.43 -1.13 0.43 114.38 117.45 1s19 h ARG 402 Ca 0.12 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1s19 h ARG 402 Cb 0.47 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.02 1s19 h ARG 402 CO 0.02 -0.12 0.56 0.00 -1.51 0.00 0.00 179.97 178.92 1s19 h LEU 404 N 1.10 0.91 -0.35 0.00 5.85 -0.50 -1.70 115.31 120.63 1s19 h LEU 404 Ca 0.34 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1s19 h LEU 404 Cb -0.03 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.77 1s19 h LEU 404 CO -0.10 0.69 0.00 -1.54 -0.34 0.00 0.00 178.44 177.15 1s19 n SER 405 N -4.39 0.27 0.11 1.25 3.41 0.05 -1.91 113.62 112.41 1s19 n SER 405 Ca 0.08 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.39 1s19 n SER 405 Cb 0.06 -0.63 0.32 0.00 -0.26 0.00 0.00 64.21 63.70 1s19 n SER 405 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1s19 h PHE 406 N 0.00 0.00 -2.95 7.33 0.05 -1.23 -3.45 116.94 116.70 1s19 h PHE 406 Ca 0.00 0.00 -0.57 0.00 3.82 0.00 0.00 57.97 61.22 1s19 h PHE 406 Cb 0.24 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.15 1s19 h PHE 406 CO 0.00 0.00 0.91 -1.14 -0.18 0.00 0.00 178.31 177.90 1s19 s GLN 407 N -3.13 4.19 0.23 1.51 2.00 -0.80 -4.97 119.66 118.69 1s19 s GLN 407 Ca 0.09 1.59 -0.31 0.00 -2.00 0.00 0.00 55.36 54.74 1s19 s GLN 407 Cb 0.12 -3.78 -0.14 0.00 0.80 0.00 0.00 33.01 30.01 1s19 s GLN 407 CO 0.64 -0.76 1.17 -2.30 -0.50 0.00 0.00 175.29 173.54 1s19 n PRO 408 N 6.70 1.46 -1.22 1.67 -0.02 -1.26 -1.91 135.00 140.42 1s19 n PRO 408 Ca 0.14 0.52 -0.07 0.00 -2.02 0.00 0.00 63.50 62.06 1s19 n PRO 408 Cb 0.45 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 1s19 n PRO 408 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1s19 n GLU 409 N 1.42 -0.90 0.03 -0.52 -0.58 -1.26 -4.90 120.64 113.92 1s19 n GLU 409 Ca 0.12 0.68 -0.11 0.00 -0.42 0.00 0.00 57.16 57.43 1s19 n GLU 409 Cb 0.29 -4.61 0.02 0.00 -0.57 0.00 0.00 31.44 26.56 1s19 n GLU 409 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s19 h SER 411 N 0.36 0.37 0.76 0.00 4.64 -1.91 -0.23 113.55 117.54 1s19 h SER 411 Ca -0.03 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1s19 h SER 411 Cb 1.28 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1s19 h SER 411 CO 0.13 0.21 -0.05 0.24 -0.87 0.00 0.00 176.83 176.48 1s19 h MET 412 N 0.40 0.00 -0.01 4.77 2.07 -1.98 -2.23 114.93 117.96 1s19 h MET 412 Ca 0.32 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.95 1s19 h MET 412 Cb 0.70 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.43 1s19 h MET 412 CO -0.09 0.05 -0.11 1.63 1.07 0.00 0.00 176.91 179.46 1s19 n LYS 413 N -3.21 1.19 0.00 1.72 5.02 -0.10 -4.86 118.16 117.92 1s19 n LYS 413 Ca -0.00 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 1s19 n LYS 413 Cb 0.28 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.80 1s19 n LYS 413 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1s19 n LEU 414 N -0.35 0.00 -3.86 -0.35 4.77 -0.84 -3.85 117.00 112.53 1s19 n LEU 414 Ca 0.16 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.05 1s19 n LEU 414 Cb 0.33 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.34 1s19 n LEU 414 CO 0.21 0.00 -0.11 0.42 -1.33 0.00 0.00 177.39 176.58 1s19 s THR 415 N 2.72 0.13 0.27 -5.08 -4.23 -1.26 -4.94 115.64 103.25 1s19 s THR 415 Ca 0.00 -1.05 -0.00 0.00 -1.18 0.00 0.00 61.69 59.46 1s19 s THR 415 Cb 0.00 -1.11 0.25 0.00 1.34 0.00 0.00 72.50 72.98 1s19 s THR 415 CO 0.00 -0.58 1.78 -0.65 -0.54 0.00 0.00 174.62 174.64 1s19 h PRO 416 N 3.15 0.71 -0.37 3.99 0.11 -1.99 -0.23 132.00 137.36 1s19 h PRO 416 Ca -0.33 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 1s19 h PRO 416 Cb 1.19 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1s19 h PRO 416 CO 0.52 0.47 0.13 1.25 -0.21 0.00 0.00 178.00 180.16 1s19 h LEU 417 N 0.73 0.53 -0.49 2.35 5.85 -1.98 -1.67 115.31 120.63 1s19 h LEU 417 Ca 0.47 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 1s19 h LEU 417 Cb 0.60 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1s19 h LEU 417 CO -0.33 0.59 0.20 0.58 -0.34 0.00 0.00 178.44 179.14 1s19 h VAL 418 N 0.45 1.21 -0.65 1.05 2.07 -1.76 -1.60 116.25 117.02 1s19 h VAL 418 Ca 0.12 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 67.04 1s19 h VAL 418 Cb 0.24 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 1s19 h VAL 418 CO -0.01 0.24 0.37 -0.07 0.02 0.00 0.00 177.57 178.13 1s19 h LEU 419 N 0.65 0.58 0.04 2.57 3.38 -0.87 -0.50 115.31 121.17 1s19 h LEU 419 Ca 0.16 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1s19 h LEU 419 Cb 0.19 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1s19 h LEU 419 CO -0.01 0.39 -0.02 -0.08 0.09 0.00 0.00 178.44 178.80 1s19 h GLU 420 N 0.71 -0.05 -0.74 1.13 4.81 -1.12 0.49 114.58 119.81 1s19 h GLU 420 Ca 0.28 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 1s19 h GLU 420 Cb 0.12 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1s19 h GLU 420 CO -0.15 0.40 0.47 0.28 -0.73 0.00 0.00 179.01 179.27 1s19 h VAL 421 N -0.53 1.20 0.00 0.32 2.07 -1.21 -3.11 116.25 114.99 1s19 h VAL 421 Ca -0.01 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1s19 h VAL 421 Cb 0.48 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1s19 h VAL 421 CO 0.01 0.20 -1.25 0.49 0.02 0.00 0.00 177.57 177.04 1s19 n PHE 422 N -4.54 0.24 1.67 1.57 0.99 -0.20 -4.91 117.46 112.27 1s19 n PHE 422 Ca 0.07 0.07 0.13 0.00 -0.00 0.00 0.00 57.45 57.72 1s19 n PHE 422 Cb 0.03 -0.45 0.79 0.00 -1.00 0.00 0.00 39.48 38.86 1s19 n PHE 422 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17