#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ie8 n ARG 121 N 0.00 1.64 -2.01 1.96 1.74 -1.26 -5.08 116.66 113.64 1ie8 n ARG 121 Ca 0.00 -4.32 -0.38 0.00 -0.77 0.00 0.00 57.85 52.38 1ie8 n ARG 121 Cb 0.00 -2.20 0.01 0.00 -1.02 0.00 0.00 32.46 29.25 1ie8 n ARG 121 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ie8 s PRO 122 N -1.30 3.60 0.65 5.56 0.04 -1.26 -4.99 135.00 137.30 1ie8 s PRO 122 Ca 0.26 2.08 -0.12 0.00 0.04 0.00 0.00 61.00 63.26 1ie8 s PRO 122 Cb -0.02 -2.47 -0.01 0.00 0.04 0.00 0.00 34.50 32.04 1ie8 s PRO 122 CO -0.17 -0.77 1.05 0.15 0.04 0.00 0.00 177.00 177.30 1ie8 s LYS 123 N -2.63 3.17 0.23 4.56 1.02 -1.26 -4.92 119.74 119.90 1ie8 s LYS 123 Ca 0.64 0.98 -0.30 0.00 0.02 0.00 0.00 55.97 57.32 1ie8 s LYS 123 Cb -0.36 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 34.83 1ie8 s LYS 123 CO 0.44 -0.92 1.38 -0.51 -0.92 0.00 0.00 175.35 174.83 1ie8 s LEU 124 N -5.18 4.40 0.84 3.17 1.43 -1.26 -4.99 118.68 117.09 1ie8 s LEU 124 Ca 0.59 2.55 -0.11 0.00 -1.03 0.00 0.00 54.13 56.12 1ie8 s LEU 124 Cb -0.14 -3.62 0.10 0.00 0.03 0.00 0.00 46.19 42.56 1ie8 s LEU 124 CO 0.49 -0.62 1.09 -0.94 0.23 0.00 0.00 176.35 176.60 1ie8 s SER 125 N 0.35 4.01 0.37 2.29 1.04 -1.26 -4.77 113.70 115.73 1ie8 s SER 125 Ca 0.58 1.49 0.07 0.00 0.48 0.00 0.00 55.95 58.57 1ie8 s SER 125 Cb -0.39 -2.20 0.78 0.00 0.10 0.00 0.00 66.02 64.30 1ie8 s SER 125 CO 0.41 -2.30 1.95 -0.08 0.98 0.00 0.00 173.24 174.20 1ie8 h GLU 126 N -1.32 0.69 -0.31 4.02 4.57 -1.99 -0.54 114.58 119.71 1ie8 h GLU 126 Ca -0.48 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 57.61 1ie8 h GLU 126 Cb 1.27 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1ie8 h GLU 126 CO 0.55 0.46 -0.02 1.49 -1.18 0.00 0.00 179.01 180.32 1ie8 h GLU 127 N 0.71 0.55 -0.44 1.92 4.81 -1.99 -1.84 114.58 118.30 1ie8 h GLU 127 Ca 0.32 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1ie8 h GLU 127 Cb 0.33 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1ie8 h GLU 127 CO -0.11 0.71 0.00 1.96 -0.73 0.00 0.00 179.01 180.84 1ie8 h GLN 128 N 0.34 0.71 -0.72 1.92 4.20 -1.67 0.09 115.11 120.00 1ie8 h GLN 128 Ca 0.09 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 1ie8 h GLN 128 Cb 0.47 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.12 1ie8 h GLN 128 CO 0.02 0.73 0.25 1.96 -0.67 0.00 0.00 178.83 181.12 1ie8 h GLN 129 N 0.67 1.08 -0.44 1.46 4.20 -0.97 -1.73 115.11 119.39 1ie8 h GLN 129 Ca 0.14 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1ie8 h GLN 129 Cb 0.41 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1ie8 h GLN 129 CO 0.02 0.90 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.91 1ie8 h ARG 130 N 1.05 0.83 -0.54 1.46 2.43 -0.63 -1.32 114.38 117.66 1ie8 h ARG 130 Ca 0.24 -0.31 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1ie8 h ARG 130 Cb 0.25 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1ie8 h ARG 130 CO -0.01 0.93 0.32 0.82 -1.51 0.00 0.00 179.97 180.52 1ie8 h ILE 131 N 0.66 1.04 -0.46 1.20 2.04 -0.60 0.75 117.51 122.15 1ie8 h ILE 131 Ca 0.11 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1ie8 h ILE 131 Cb 0.61 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1ie8 h ILE 131 CO 0.04 0.11 0.23 0.40 0.00 0.00 0.00 178.15 178.93 1ie8 h ILE 132 N 0.63 1.18 -0.70 -0.67 1.08 -1.14 -0.45 117.51 117.44 1ie8 h ILE 132 Ca 0.22 -0.50 -0.05 0.00 -0.39 0.00 0.00 64.86 64.14 1ie8 h ILE 132 Cb 0.04 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 34.44 1ie8 h ILE 132 CO -0.11 0.20 0.22 0.00 -0.69 0.00 0.00 178.15 177.77 1ie8 h ALA 133 N 1.07 1.08 -0.50 1.87 0.00 -0.67 -0.57 119.26 121.54 1ie8 h ALA 133 Ca 0.16 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1ie8 h ALA 133 Cb 0.11 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1ie8 h ALA 133 CO -0.02 0.63 0.04 0.82 0.00 0.00 0.00 179.25 180.72 1ie8 h ILE 134 N 1.03 1.26 -0.26 0.00 2.04 -0.55 -1.34 117.51 119.68 1ie8 h ILE 134 Ca 0.23 -1.01 -0.14 0.00 1.00 0.00 0.00 64.86 64.94 1ie8 h ILE 134 Cb 0.28 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1ie8 h ILE 134 CO -0.01 0.35 -0.41 -0.07 0.00 0.00 0.00 178.15 178.02 1ie8 h LEU 135 N 0.72 0.68 -0.48 1.44 3.38 -0.79 0.61 115.31 120.86 1ie8 h LEU 135 Ca 0.15 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.76 1ie8 h LEU 135 Cb 0.46 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1ie8 h LEU 135 CO 0.02 1.01 0.12 -0.07 0.09 0.00 0.00 178.44 179.60 1ie8 h LEU 136 N 0.52 0.73 -0.45 1.67 3.38 -1.01 -0.39 115.31 119.76 1ie8 h LEU 136 Ca 0.04 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1ie8 h LEU 136 Cb 0.93 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ie8 h LEU 136 CO 0.08 0.77 0.21 -0.78 0.09 0.00 0.00 178.44 178.81 1ie8 h ASP 137 N 0.65 0.60 -0.65 -0.43 1.82 -1.05 -0.22 116.42 117.14 1ie8 h ASP 137 Ca 0.15 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.65 1ie8 h ASP 137 Cb 0.33 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.15 1ie8 h ASP 137 CO 0.00 0.57 0.38 0.00 -1.61 0.00 0.00 179.24 178.58 1ie8 h ALA 138 N 1.05 0.84 -0.54 -0.78 0.00 -0.70 -1.05 119.26 118.07 1ie8 h ALA 138 Ca 0.15 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1ie8 h ALA 138 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1ie8 h ALA 138 CO -0.02 0.32 0.12 1.25 0.00 0.00 0.00 179.25 180.92 1ie8 h HIS 139 N 0.89 0.92 0.00 0.00 -0.00 -0.80 -2.12 115.15 114.04 1ie8 h HIS 139 Ca 0.23 -0.12 -0.04 0.00 -0.00 0.00 0.00 60.37 60.45 1ie8 h HIS 139 Cb -0.01 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.14 1ie8 h HIS 139 CO -0.01 0.81 -0.18 0.45 -0.00 0.00 0.00 177.93 178.99 1ie8 h HIS 140 N 0.77 0.00 0.00 5.26 3.86 -0.64 0.94 115.15 125.34 1ie8 h HIS 140 Ca 0.17 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 1ie8 h HIS 140 Cb 0.36 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1ie8 h HIS 140 CO 0.03 0.18 -0.25 0.87 0.86 0.00 0.00 177.93 179.61 1ie8 h LYS 141 N 0.00 0.00 -0.00 2.45 1.57 -0.93 -3.37 116.57 116.28 1ie8 h LYS 141 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ie8 h LYS 141 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ie8 h LYS 141 CO 0.02 0.00 -0.00 0.25 -0.57 0.00 0.00 179.45 179.15 1ie8 n THR 142 N -2.86 0.00 -3.79 -0.16 -2.24 -0.72 -4.92 114.28 99.59 1ie8 n THR 142 Ca 0.03 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.02 1ie8 n THR 142 Cb 0.52 1.01 -0.16 0.00 -2.10 0.00 0.00 70.33 69.60 1ie8 n THR 142 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1ie8 s TYR 143 N -0.07 1.71 -0.47 4.78 6.14 0.25 -4.83 117.35 124.87 1ie8 s TYR 143 Ca 0.01 -1.49 -0.25 0.00 0.64 0.00 0.00 57.07 55.97 1ie8 s TYR 143 Cb 0.00 -1.50 0.03 0.00 0.42 0.00 0.00 41.96 40.91 1ie8 s TYR 143 CO 0.01 -0.77 0.91 0.34 0.64 0.00 0.00 175.55 176.68 1ie8 s ASP 144 N 1.62 6.48 0.00 4.32 2.15 -1.26 -4.74 116.67 125.23 1ie8 s ASP 144 Ca 0.03 0.05 0.16 0.00 0.43 0.00 0.00 52.55 53.22 1ie8 s ASP 144 Cb -0.18 -2.44 0.88 0.00 -0.30 0.00 0.00 42.92 40.89 1ie8 s ASP 144 CO -0.15 -1.05 1.41 -0.81 -0.17 0.00 0.00 175.17 174.41 1ie8 n PRO 145 N 7.13 0.37 -0.00 4.34 -0.04 -1.26 -1.99 135.00 143.55 1ie8 n PRO 145 Ca 0.05 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.68 1ie8 n PRO 145 Cb 0.48 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.32 1ie8 n PRO 145 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1ie8 n THR 146 N -1.14 0.00 -2.60 0.52 -2.24 -1.26 -4.98 114.28 102.59 1ie8 n THR 146 Ca 0.10 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.62 1ie8 n THR 146 Cb 0.09 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1ie8 n THR 146 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ie8 n TYR 147 N -1.58 -1.35 0.29 4.78 4.02 -0.84 -4.86 117.16 117.61 1ie8 n TYR 147 Ca 0.03 0.14 0.14 0.00 -0.01 0.00 0.00 57.90 58.20 1ie8 n TYR 147 Cb 0.35 -3.75 0.68 0.00 -0.02 0.00 0.00 39.34 36.60 1ie8 n TYR 147 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1ie8 h SER 148 N -0.35 0.00 0.64 7.72 4.64 -1.92 -2.39 113.55 121.89 1ie8 h SER 148 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1ie8 h SER 148 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1ie8 h SER 148 CO 0.53 0.00 -0.51 0.47 -0.87 0.00 0.00 176.83 176.44 1ie8 n ASP 149 N -2.52 0.52 0.27 4.97 8.00 -1.26 -4.39 116.55 122.14 1ie8 n ASP 149 Ca -0.00 -0.08 0.11 0.00 0.71 0.00 0.00 54.79 55.52 1ie8 n ASP 149 Cb 0.15 0.18 0.75 0.00 -0.02 0.00 0.00 41.12 42.18 1ie8 n ASP 149 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1ie8 h PHE 150 N 0.00 0.00 0.00 1.24 -1.00 -1.82 -0.63 116.94 114.73 1ie8 h PHE 150 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ie8 h PHE 150 Cb 0.58 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1ie8 h PHE 150 CO 0.00 0.02 0.00 0.00 -1.61 0.00 0.00 178.31 176.72 1ie8 h GLN 152 N 0.00 0.00 -7.37 0.00 4.20 -1.42 -3.46 115.11 107.05 1ie8 h GLN 152 Ca 0.00 0.00 -0.49 0.00 0.06 0.00 0.00 58.65 58.22 1ie8 h GLN 152 Cb 0.27 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.16 1ie8 h GLN 152 CO 0.00 0.00 0.32 -0.06 -0.67 0.00 0.00 178.83 178.42 1ie8 s PHE 153 N -3.14 2.74 0.40 2.96 2.99 -0.86 -4.96 117.98 118.12 1ie8 s PHE 153 Ca 0.09 1.27 -0.27 0.00 0.00 0.00 0.00 56.93 58.02 1ie8 s PHE 153 Cb 0.10 -3.08 -0.10 0.00 0.00 0.00 0.00 43.02 39.94 1ie8 s PHE 153 CO 0.63 -1.81 1.40 0.54 -0.00 0.00 0.00 175.22 175.98 1ie8 n ARG 154 N -3.49 2.33 -1.84 0.44 1.74 -1.26 -4.87 116.66 109.71 1ie8 n ARG 154 Ca 0.07 0.82 -0.39 0.00 -0.77 0.00 0.00 57.85 57.58 1ie8 n ARG 154 Cb 0.55 -2.55 0.02 0.00 -1.02 0.00 0.00 32.46 29.46 1ie8 n ARG 154 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1ie8 s PRO 155 N -2.18 3.60 0.39 5.56 0.04 -1.26 -3.98 135.00 137.17 1ie8 s PRO 155 Ca 0.57 2.32 -0.25 0.00 0.04 0.00 0.00 61.00 63.68 1ie8 s PRO 155 Cb -0.49 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.39 1ie8 s PRO 155 CO 0.61 -0.85 1.16 -1.25 0.04 0.00 0.00 177.00 176.71 1ie8 s PRO 156 N -2.53 4.11 -0.06 0.56 0.04 -1.26 -4.42 135.00 131.43 1ie8 s PRO 156 Ca 0.63 1.83 0.01 0.00 0.04 0.00 0.00 61.00 63.51 1ie8 s PRO 156 Cb -0.42 -2.71 0.02 0.00 0.04 0.00 0.00 34.50 31.43 1ie8 s PRO 156 CO 0.53 -0.27 -0.07 0.08 0.04 0.00 0.00 177.00 177.30 1ie8 s VAL 157 N -1.40 0.79 -0.32 -0.36 1.01 -1.24 -5.07 120.40 113.80 1ie8 s VAL 157 Ca 0.56 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.33 1ie8 s VAL 157 Cb -0.30 -0.78 0.09 0.00 0.00 0.00 0.00 36.38 35.38 1ie8 s VAL 157 CO 0.38 0.29 0.02 -0.13 0.00 0.00 0.00 175.10 175.66 1ie8 s ARG 158 N 0.99 1.61 0.61 2.72 0.52 -1.26 -3.57 118.95 120.57 1ie8 s ARG 158 Ca -0.09 -1.74 -0.07 0.00 -0.52 0.00 0.00 55.73 53.30 1ie8 s ARG 158 Cb -0.14 -3.10 0.01 0.00 0.52 0.00 0.00 34.95 32.23 1ie8 s ARG 158 CO 0.00 -0.86 0.94 0.14 0.02 0.00 0.00 175.30 175.54 1ie8 s VAL 159 N 0.97 3.69 -0.12 3.52 -7.23 -1.26 -5.00 120.40 114.97 1ie8 s VAL 159 Ca 0.07 0.14 -0.29 0.00 -1.81 0.00 0.00 61.98 60.09 1ie8 s VAL 159 Cb -0.19 -3.49 -0.04 0.00 0.56 0.00 0.00 36.38 33.22 1ie8 s VAL 159 CO -0.08 -0.54 1.56 0.20 -0.31 0.00 0.00 175.10 175.94 1ie8 s ASN 160 N -4.31 6.66 -0.35 4.85 0.01 -1.26 -4.86 114.94 115.69 1ie8 s ASN 160 Ca 0.55 1.98 0.14 0.00 -0.71 0.00 0.00 52.86 54.81 1ie8 s ASN 160 Cb -0.11 -2.53 0.42 0.00 0.41 0.00 0.00 41.25 39.44 1ie8 s ASN 160 CO 0.47 -0.97 1.30 -0.67 -1.51 0.00 0.00 177.10 175.72 1ie8 n ASP 161 N 7.33 -0.69 0.20 -1.22 2.03 -1.26 -4.95 116.55 117.99 1ie8 n ASP 161 Ca 0.17 -2.38 0.17 0.00 0.52 0.00 0.00 54.79 53.27 1ie8 n ASP 161 Cb 0.44 0.43 0.82 0.00 -0.72 0.00 0.00 41.12 42.09 1ie8 n ASP 161 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1ie8 h GLY 162 N 1.99 0.00 1.68 0.27 0.00 -2.02 0.49 103.07 105.49 1ie8 h GLY 162 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 1ie8 h GLY 162 CO 0.04 0.00 -0.16 0.61 0.00 0.00 0.00 176.54 177.02 1ie8 n GLY 163 N -1.41 -1.44 3.61 4.60 0.00 -1.26 -4.91 105.19 104.38 1ie8 n GLY 163 Ca 0.02 -0.17 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1ie8 n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ie8 n GLY 164 N 1.49 -0.53 3.66 -0.02 0.00 0.17 -4.87 105.19 105.08 1ie8 n GLY 164 Ca 0.06 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 1ie8 n GLY 164 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ie8 s SER 216 N -3.42 6.49 0.17 1.61 0.15 -1.26 -4.90 113.70 112.54 1ie8 s SER 216 Ca 0.54 2.38 -0.13 0.00 0.70 0.00 0.00 55.95 59.44 1ie8 s SER 216 Cb -0.24 -2.53 0.07 0.00 -1.71 0.00 0.00 66.02 61.61 1ie8 s SER 216 CO 0.74 -1.05 1.76 0.58 1.20 0.00 0.00 173.24 176.47 1ie8 h VAL 217 N 5.71 1.21 -0.30 4.45 2.07 -1.98 0.11 116.25 127.52 1ie8 h VAL 217 Ca -0.44 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 66.53 1ie8 h VAL 217 Cb 1.21 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1ie8 h VAL 217 CO 0.95 0.23 0.15 0.74 0.02 0.00 0.00 177.57 179.67 1ie8 h THR 218 N 0.79 0.99 -0.48 2.57 2.02 -1.99 -0.07 112.91 116.74 1ie8 h THR 218 Ca 0.20 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 67.19 1ie8 h THR 218 Cb 0.11 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1ie8 h THR 218 CO -0.03 0.06 -0.02 0.25 0.37 0.00 0.00 175.52 176.16 1ie8 h LEU 219 N 0.32 0.84 -0.64 2.58 5.85 -1.89 -0.97 115.31 121.40 1ie8 h LEU 219 Ca 0.13 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.53 1ie8 h LEU 219 Cb 0.04 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1ie8 h LEU 219 CO -0.08 0.96 0.41 -0.33 -0.34 0.00 0.00 178.44 179.05 1ie8 h GLU 220 N 0.71 0.85 -0.10 1.25 5.08 -0.45 -1.25 114.58 120.69 1ie8 h GLU 220 Ca 0.13 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.29 1ie8 h GLU 220 Cb 0.53 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1ie8 h GLU 220 CO 0.03 0.58 -0.58 -0.07 -1.00 0.00 0.00 179.01 177.97 1ie8 h LEU 221 N 0.87 0.35 -1.02 1.33 3.38 -0.91 0.46 115.31 119.78 1ie8 h LEU 221 Ca 0.23 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 1ie8 h LEU 221 Cb -0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1ie8 h LEU 221 CO -0.05 0.86 -0.20 0.77 0.09 0.00 0.00 178.44 179.91 1ie8 h SER 222 N 0.23 0.46 0.00 -0.43 4.64 -0.69 -3.36 113.55 114.41 1ie8 h SER 222 Ca -0.00 -0.14 -0.30 0.00 -0.47 0.00 0.00 61.79 60.87 1ie8 h SER 222 Cb 1.09 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.00 1ie8 h SER 222 CO 0.09 0.68 -2.15 0.00 -0.87 0.00 0.00 176.83 174.58 1ie8 n GLN 223 N -4.16 0.55 -4.21 4.77 6.02 -0.51 -5.00 117.38 114.84 1ie8 n GLN 223 Ca -0.00 0.11 -0.31 0.00 -0.01 0.00 0.00 57.00 56.79 1ie8 n GLN 223 Cb 0.37 -1.41 -0.07 0.00 1.02 0.00 0.00 30.24 30.16 1ie8 n GLN 223 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1ie8 n LEU 224 N -3.07 -1.44 -0.25 1.08 4.77 0.16 -4.81 117.00 113.44 1ie8 n LEU 224 Ca -0.35 -1.16 0.06 0.00 -0.03 0.00 0.00 56.01 54.53 1ie8 n LEU 224 Cb 0.89 -1.85 0.31 0.00 -2.33 0.00 0.00 43.42 40.44 1ie8 n LEU 224 CO 0.21 0.41 1.23 0.77 -1.33 0.00 0.00 177.39 178.67 1ie8 h SER 225 N -1.69 0.76 -0.03 -1.43 4.64 -1.74 -1.82 113.55 112.23 1ie8 h SER 225 Ca -0.64 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 1ie8 h SER 225 Cb 1.39 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1ie8 h SER 225 CO 0.71 0.47 0.00 0.23 -0.87 0.00 0.00 176.83 177.37 1ie8 n MET 226 N -4.50 1.95 -0.13 4.77 2.81 -1.06 -3.69 117.12 117.26 1ie8 n MET 226 Ca 0.13 -1.38 -0.10 0.00 -1.81 0.00 0.00 57.70 54.54 1ie8 n MET 226 Cb 0.26 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 1ie8 n MET 226 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1ie8 h LEU 227 N 3.33 0.58 -0.38 4.03 5.85 -1.47 -1.65 115.31 125.61 1ie8 h LEU 227 Ca 0.00 -0.26 0.05 0.00 0.84 0.00 0.00 57.88 58.51 1ie8 h LEU 227 Cb 0.71 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1ie8 h LEU 227 CO 0.00 0.69 0.11 -0.65 -0.34 0.00 0.00 178.44 178.25 1ie8 h PRO 228 N 0.45 0.25 -0.06 5.25 0.11 -1.75 0.33 132.00 136.57 1ie8 h PRO 228 Ca 0.11 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1ie8 h PRO 228 Cb 0.36 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.41 1ie8 h PRO 228 CO 0.01 0.16 0.01 1.25 -0.21 0.00 0.00 178.00 179.22 1ie8 h HIS 229 N 0.25 0.10 -0.10 0.65 -0.00 -1.68 -1.22 115.15 113.16 1ie8 h HIS 229 Ca 0.17 -0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1ie8 h HIS 229 Cb 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1ie8 h HIS 229 CO -0.16 0.32 -0.40 -0.07 -0.00 0.00 0.00 177.93 177.62 1ie8 h LEU 230 N -0.15 0.21 -0.74 0.26 3.38 -1.13 0.37 115.31 117.51 1ie8 h LEU 230 Ca 0.02 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1ie8 h LEU 230 Cb 0.27 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1ie8 h LEU 230 CO 0.00 0.59 0.07 0.00 0.09 0.00 0.00 178.44 179.19 1ie8 h ALA 231 N 1.42 0.95 -0.52 1.53 0.00 -0.26 0.93 119.26 123.32 1ie8 h ALA 231 Ca 0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1ie8 h ALA 231 Cb 0.78 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1ie8 h ALA 231 CO 0.06 0.64 -0.15 -0.44 0.00 0.00 0.00 179.25 179.36 1ie8 h ASP 232 N 0.95 1.02 -0.43 0.00 3.45 -0.78 0.17 116.42 120.80 1ie8 h ASP 232 Ca 0.18 -0.36 -0.03 0.00 0.43 0.00 0.00 57.03 57.26 1ie8 h ASP 232 Cb 0.46 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 1ie8 h ASP 232 CO 0.02 1.15 0.14 0.25 -1.57 0.00 0.00 179.24 179.23 1ie8 h LEU 233 N 0.89 0.62 -0.47 1.55 5.85 -0.62 -0.40 115.31 122.72 1ie8 h LEU 233 Ca 0.13 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 1ie8 h LEU 233 Cb 0.72 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1ie8 h LEU 233 CO 0.06 0.65 -0.09 0.58 -0.34 0.00 0.00 178.44 179.29 1ie8 h VAL 234 N 0.56 1.27 -0.35 1.05 2.07 -0.66 -0.59 116.25 119.60 1ie8 h VAL 234 Ca 0.14 -1.21 -0.00 0.00 0.82 0.00 0.00 66.70 66.44 1ie8 h VAL 234 Cb 0.25 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1ie8 h VAL 234 CO -0.01 0.42 0.20 -1.28 0.02 0.00 0.00 177.57 176.92 1ie8 h SER 235 N 0.74 0.43 -0.58 0.57 0.87 -0.51 0.10 113.55 115.18 1ie8 h SER 235 Ca 0.12 -0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.65 1ie8 h SER 235 Cb 0.64 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1ie8 h SER 235 CO 0.04 0.37 0.33 0.22 -0.53 0.00 0.00 176.83 177.27 1ie8 h TYR 236 N 0.45 0.62 -0.42 2.24 3.20 -0.98 -1.79 116.97 120.29 1ie8 h TYR 236 Ca 0.12 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1ie8 h TYR 236 Cb 0.03 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.09 1ie8 h TYR 236 CO -0.03 0.33 -0.00 0.77 -1.64 0.00 0.00 178.16 177.59 1ie8 h SER 237 N 0.65 0.64 -0.72 -2.11 0.02 -0.47 -1.36 113.55 110.20 1ie8 h SER 237 Ca 0.24 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1ie8 h SER 237 Cb 0.07 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1ie8 h SER 237 CO -0.13 0.72 0.25 0.40 -1.14 0.00 0.00 176.83 176.93 1ie8 h ILE 238 N 0.64 1.26 -0.77 3.27 1.08 -0.23 0.12 117.51 122.87 1ie8 h ILE 238 Ca 0.13 -0.86 0.02 0.00 -0.39 0.00 0.00 64.86 63.75 1ie8 h ILE 238 Cb 0.40 0.45 -0.04 0.00 -3.07 0.00 0.00 36.82 34.57 1ie8 h ILE 238 CO 0.02 0.34 0.50 1.56 -0.69 0.00 0.00 178.15 179.88 1ie8 h GLN 239 N 1.06 0.99 -0.55 2.37 4.20 -0.68 -0.67 115.11 121.82 1ie8 h GLN 239 Ca 0.24 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.80 1ie8 h GLN 239 Cb 0.28 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1ie8 h GLN 239 CO -0.01 0.65 0.01 0.87 -0.67 0.00 0.00 178.83 179.68 1ie8 h LYS 240 N 1.02 0.94 -0.48 1.46 1.79 -0.68 -2.25 116.57 118.37 1ie8 h LYS 240 Ca 0.29 -0.27 -0.06 0.00 -2.18 0.00 0.00 60.65 58.43 1ie8 h LYS 240 Cb -0.08 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 1ie8 h LYS 240 CO -0.08 0.93 0.04 0.28 -1.08 0.00 0.00 179.45 179.54 1ie8 h VAL 241 N 0.87 1.23 -0.41 0.50 2.07 -0.46 -0.32 116.25 119.73 1ie8 h VAL 241 Ca 0.16 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1ie8 h VAL 241 Cb 0.50 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 1ie8 h VAL 241 CO 0.02 0.32 0.18 0.40 0.02 0.00 0.00 177.57 178.52 1ie8 h ILE 242 N 0.72 1.18 -0.75 4.57 5.03 -0.80 0.83 117.51 128.31 1ie8 h ILE 242 Ca 0.15 -0.55 -0.03 0.00 -0.12 0.00 0.00 64.86 64.31 1ie8 h ILE 242 Cb 0.38 0.78 -0.03 0.00 -3.03 0.00 0.00 36.82 34.92 1ie8 h ILE 242 CO 0.01 0.20 0.35 1.23 -0.68 0.00 0.00 178.15 179.26 1ie8 h GLY 243 N 0.52 1.16 0.86 5.37 0.00 -0.90 -1.78 103.07 108.31 1ie8 h GLY 243 Ca 0.14 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1ie8 h GLY 243 CO -0.02 0.56 0.04 -2.75 0.00 0.00 0.00 176.54 174.37 1ie8 h PHE 244 N 1.05 0.15 -0.83 5.60 3.57 -0.75 -3.03 116.94 122.71 1ie8 h PHE 244 Ca 0.25 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.82 1ie8 h PHE 244 Cb 0.14 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 1ie8 h PHE 244 CO 0.01 0.26 0.50 0.00 -2.23 0.00 0.00 178.31 176.85 1ie8 h ALA 245 N 0.88 1.16 0.00 2.41 0.00 -0.60 -0.98 119.26 122.12 1ie8 h ALA 245 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1ie8 h ALA 245 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ie8 h ALA 245 CO -0.00 0.19 0.00 0.87 0.00 0.00 0.00 179.25 180.31 1ie8 h LYS 246 N 0.88 0.00 -0.01 0.00 1.57 -1.20 -1.19 116.57 116.62 1ie8 h LYS 246 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1ie8 h LYS 246 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1ie8 h LYS 246 CO -0.20 0.00 -0.41 -1.33 -0.57 0.00 0.00 179.45 176.94 1ie8 n MET 247 N -2.93 0.99 -2.08 3.15 2.81 -0.38 -4.65 117.12 114.03 1ie8 n MET 247 Ca -0.02 -0.73 -0.42 0.00 -1.81 0.00 0.00 57.70 54.71 1ie8 n MET 247 Cb 0.10 -1.48 -0.03 0.00 -0.71 0.00 0.00 33.22 31.10 1ie8 n MET 247 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1ie8 s ILE 248 N -2.52 3.19 0.01 2.02 1.01 -0.45 -4.81 121.20 119.64 1ie8 s ILE 248 Ca 0.20 0.76 -0.34 0.00 0.00 0.00 0.00 60.65 61.28 1ie8 s ILE 248 Cb 0.18 -3.49 -0.13 0.00 0.01 0.00 0.00 42.46 39.04 1ie8 s ILE 248 CO 0.57 0.03 1.75 -2.65 0.00 0.00 0.00 174.94 174.64 1ie8 n PRO 249 N 4.62 2.13 0.00 2.79 -0.02 -1.26 -1.46 135.00 141.79 1ie8 n PRO 249 Ca 0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1ie8 n PRO 249 Cb 0.41 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.31 1ie8 n PRO 249 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ie8 n GLY 250 N 3.98 3.29 0.36 -1.23 0.00 -1.26 -4.93 105.19 105.41 1ie8 n GLY 250 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.25 1ie8 n GLY 250 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ie8 h PHE 251 N 0.00 1.18 0.00 1.61 3.57 -1.55 -1.27 116.94 120.49 1ie8 h PHE 251 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1ie8 h PHE 251 Cb 0.00 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.35 1ie8 h PHE 251 CO 0.00 0.61 0.00 0.54 -2.23 0.00 0.00 178.31 177.23 1ie8 n ARG 252 N -4.51 0.02 0.15 1.11 1.74 -1.26 -2.13 116.66 111.78 1ie8 n ARG 252 Ca 0.15 0.21 0.02 0.00 -0.77 0.00 0.00 57.85 57.46 1ie8 n ARG 252 Cb 0.18 -1.50 0.15 0.00 -1.02 0.00 0.00 32.46 30.27 1ie8 n ARG 252 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1ie8 h ASP 253 N 0.00 0.00 -4.18 0.55 3.32 -1.61 -3.45 116.42 111.04 1ie8 h ASP 253 Ca 0.00 0.00 -0.51 0.00 0.02 0.00 0.00 57.03 56.54 1ie8 h ASP 253 Cb 0.27 0.00 0.10 0.00 0.22 0.00 0.00 39.33 39.92 1ie8 h ASP 253 CO 0.00 0.52 0.38 -0.76 -1.72 0.00 0.00 179.24 177.66 1ie8 s LEU 254 N -6.82 3.43 0.87 1.55 1.43 -0.91 -5.01 118.68 113.22 1ie8 s LEU 254 Ca 0.02 2.03 -0.11 0.00 -1.03 0.00 0.00 54.13 55.04 1ie8 s LEU 254 Cb 0.10 -4.56 0.12 0.00 0.03 0.00 0.00 46.19 41.88 1ie8 s LEU 254 CO 0.73 -1.59 1.11 0.42 0.23 0.00 0.00 176.35 177.24 1ie8 s THR 255 N -2.26 2.67 0.27 5.49 -4.23 -1.26 -4.79 115.64 111.54 1ie8 s THR 255 Ca 0.68 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 61.40 1ie8 s THR 255 Cb -0.21 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.24 1ie8 s THR 255 CO 0.40 -0.29 1.76 0.77 -0.54 0.00 0.00 174.62 176.72 1ie8 h SER 256 N -1.57 0.70 -0.65 3.99 4.64 -1.95 -0.83 113.55 117.88 1ie8 h SER 256 Ca -0.45 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 60.69 1ie8 h SER 256 Cb 1.26 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.13 1ie8 h SER 256 CO 0.48 0.79 0.38 -0.08 -0.87 0.00 0.00 176.83 177.53 1ie8 h GLU 257 N 0.67 0.89 -0.35 4.77 4.81 -1.99 0.14 114.58 123.51 1ie8 h GLU 257 Ca 0.13 -0.09 -0.15 0.00 -0.13 0.00 0.00 59.36 59.12 1ie8 h GLU 257 Cb 0.47 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 1ie8 h GLU 257 CO 0.02 0.65 -0.36 -0.44 -0.73 0.00 0.00 179.01 178.15 1ie8 h ASP 258 N 0.89 0.87 -0.33 1.04 3.45 -1.83 -1.43 116.42 119.08 1ie8 h ASP 258 Ca 0.23 -0.39 0.03 0.00 0.43 0.00 0.00 57.03 57.33 1ie8 h ASP 258 Cb -0.00 -0.24 -0.03 0.00 -0.56 0.00 0.00 39.33 38.49 1ie8 h ASP 258 CO -0.04 1.14 0.15 1.56 -1.57 0.00 0.00 179.24 180.49 1ie8 h GLN 259 N 0.68 0.31 -0.56 3.56 4.20 -0.59 -0.88 115.11 121.83 1ie8 h GLN 259 Ca 0.06 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 1ie8 h GLN 259 Cb 0.93 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 1ie8 h GLN 259 CO 0.09 0.21 -0.02 0.82 -0.67 0.00 0.00 178.83 179.26 1ie8 h ILE 260 N 0.32 1.26 -0.41 2.54 2.04 -0.86 -0.86 117.51 121.55 1ie8 h ILE 260 Ca 0.14 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.86 1ie8 h ILE 260 Cb 0.07 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1ie8 h ILE 260 CO -0.11 0.41 0.25 0.58 0.00 0.00 0.00 178.15 179.28 1ie8 h VAL 261 N 0.90 1.13 -0.66 1.67 2.07 -0.91 -0.50 116.25 119.95 1ie8 h VAL 261 Ca 0.16 -0.31 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1ie8 h VAL 261 Cb 0.55 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1ie8 h VAL 261 CO 0.03 0.13 0.14 -0.07 0.02 0.00 0.00 177.57 177.82 1ie8 h LEU 262 N 0.54 1.03 -0.30 2.57 3.38 -0.95 -1.86 115.31 119.72 1ie8 h LEU 262 Ca 0.15 -0.25 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1ie8 h LEU 262 Cb 0.00 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 1ie8 h LEU 262 CO -0.03 1.01 -0.07 -0.07 0.09 0.00 0.00 178.44 179.37 1ie8 h LEU 263 N 1.00 0.58 -0.69 1.67 3.38 -0.91 -1.89 115.31 118.45 1ie8 h LEU 263 Ca 0.20 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.72 1ie8 h LEU 263 Cb 0.40 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1ie8 h LEU 263 CO 0.01 0.81 0.03 0.11 0.09 0.00 0.00 178.44 179.49 1ie8 h LYS 264 N 0.34 1.05 0.00 1.13 1.57 -1.01 -0.65 116.57 118.99 1ie8 h LYS 264 Ca 0.08 -0.31 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 1ie8 h LYS 264 Cb 0.55 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1ie8 h LYS 264 CO 0.03 1.00 -0.46 0.66 -0.57 0.00 0.00 179.45 180.11 1ie8 h SER 265 N 0.97 0.00 0.00 0.86 4.64 -1.34 -3.32 113.55 115.36 1ie8 h SER 265 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ie8 h SER 265 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1ie8 h SER 265 CO 0.02 0.46 -1.46 -1.54 -0.87 0.00 0.00 176.83 173.45 1ie8 n SER 266 N -3.35 0.55 -0.29 4.97 3.41 -0.71 -4.69 113.62 113.50 1ie8 n SER 266 Ca 0.01 -0.54 -0.05 0.00 -0.26 0.00 0.00 58.87 58.03 1ie8 n SER 266 Cb 0.64 1.46 -0.01 0.00 -0.26 0.00 0.00 64.21 66.05 1ie8 n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ie8 h ALA 267 N 2.52 -0.12 -0.27 7.33 0.00 -1.22 0.85 119.26 128.36 1ie8 h ALA 267 Ca 0.00 0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.04 1ie8 h ALA 267 Cb 0.73 0.99 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 1ie8 h ALA 267 CO 0.00 -0.74 -0.04 0.97 0.00 0.00 0.00 179.25 179.44 1ie8 h ILE 268 N -0.11 1.19 -0.30 0.00 6.09 -1.84 -0.40 117.51 122.14 1ie8 h ILE 268 Ca 0.25 -0.76 -0.13 0.00 -1.37 0.00 0.00 64.86 62.84 1ie8 h ILE 268 Cb 0.56 1.03 -0.00 0.00 0.47 0.00 0.00 36.82 38.87 1ie8 h ILE 268 CO -0.82 0.25 -0.32 -0.33 -3.07 0.00 0.00 178.15 173.87 1ie8 h GLU 269 N 0.40 0.74 -0.30 2.19 5.08 -1.37 -0.64 114.58 120.68 1ie8 h GLU 269 Ca 0.09 -0.40 -0.11 0.00 -1.00 0.00 0.00 59.36 57.94 1ie8 h GLU 269 Cb 0.34 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1ie8 h GLU 269 CO 0.01 1.02 -0.26 0.28 -1.00 0.00 0.00 179.01 179.06 1ie8 h VAL 270 N 0.49 1.27 -0.52 3.13 2.07 -0.54 0.24 116.25 122.39 1ie8 h VAL 270 Ca 0.04 -1.33 -0.00 0.00 0.82 0.00 0.00 66.70 66.24 1ie8 h VAL 270 Cb 0.89 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1ie8 h VAL 270 CO 0.08 0.43 0.32 0.40 0.02 0.00 0.00 177.57 178.81 1ie8 h ILE 271 N 0.52 1.16 -0.61 4.57 5.03 -0.89 0.25 117.51 127.54 1ie8 h ILE 271 Ca 0.07 -0.35 -0.05 0.00 -0.12 0.00 0.00 64.86 64.41 1ie8 h ILE 271 Cb 0.72 0.45 -0.03 0.00 -3.03 0.00 0.00 36.82 34.93 1ie8 h ILE 271 CO 0.06 0.16 0.19 0.24 -0.68 0.00 0.00 178.15 178.11 1ie8 h MET 272 N 0.70 0.94 0.09 2.37 2.86 -0.49 -0.75 114.93 120.66 1ie8 h MET 272 Ca 0.19 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ie8 h MET 272 Cb -0.01 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.51 1ie8 h MET 272 CO -0.04 0.84 -0.04 -0.07 1.06 0.00 0.00 176.91 178.66 1ie8 h LEU 273 N 0.87 -0.10 -1.58 1.22 3.38 -0.68 -3.15 115.31 115.26 1ie8 h LEU 273 Ca 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1ie8 h LEU 273 Cb 0.29 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1ie8 h LEU 273 CO -0.01 0.12 -0.21 0.08 0.09 0.00 0.00 178.44 178.51 1ie8 h ARG 274 N -0.32 0.00 0.00 1.13 0.11 -0.37 -1.67 114.38 113.27 1ie8 h ARG 274 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1ie8 h ARG 274 Cb 0.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.35 1ie8 h ARG 274 CO 0.02 0.21 0.00 0.66 0.10 0.00 0.00 179.97 180.96 1ie8 h SER 275 N 0.00 0.00 0.03 0.08 4.64 -1.09 -2.53 113.55 114.68 1ie8 h SER 275 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ie8 h SER 275 Cb 0.49 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1ie8 h SER 275 CO 0.03 0.00 -0.01 -1.13 -0.87 0.00 0.00 176.83 174.85 1ie8 h ASN 276 N 0.00 0.00 0.36 4.97 -0.73 -1.33 -0.52 115.58 118.33 1ie8 h ASN 276 Ca 0.00 0.00 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 1ie8 h ASN 276 Cb 0.31 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 1ie8 h ASN 276 CO 0.00 0.01 -0.37 -0.08 -0.37 0.00 0.00 177.43 176.62 1ie8 h GLU 277 N 0.00 0.02 0.00 6.67 4.81 -1.65 -2.90 114.58 121.53 1ie8 h GLU 277 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1ie8 h GLU 277 Cb 0.02 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1ie8 h GLU 277 CO 0.00 0.39 -1.32 -1.13 -0.73 0.00 0.00 179.01 176.22 1ie8 n SER 278 N -4.09 0.51 -4.77 1.04 3.41 -0.29 -4.92 113.62 104.50 1ie8 n SER 278 Ca -0.02 0.02 -0.40 0.00 -0.26 0.00 0.00 58.87 58.21 1ie8 n SER 278 Cb 0.41 1.06 -0.01 0.00 -0.26 0.00 0.00 64.21 65.41 1ie8 n SER 278 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1ie8 s PHE 279 N -3.35 2.83 -0.02 7.33 5.36 -0.66 -1.17 117.98 128.29 1ie8 s PHE 279 Ca -0.01 1.35 0.01 0.00 -0.96 0.00 0.00 56.93 57.32 1ie8 s PHE 279 Cb 0.13 -3.76 0.01 0.00 -0.34 0.00 0.00 43.02 39.05 1ie8 s PHE 279 CO 0.83 -2.24 -0.04 -0.08 -1.46 0.00 0.00 175.22 172.23 1ie8 s THR 280 N -1.18 0.42 -1.88 0.12 -1.32 0.28 -4.90 115.64 107.18 1ie8 s THR 280 Ca 0.53 -0.15 0.31 0.00 -1.21 0.00 0.00 61.69 61.17 1ie8 s THR 280 Cb -0.41 -0.41 0.82 0.00 -1.51 0.00 0.00 72.50 71.00 1ie8 s THR 280 CO 0.54 0.15 2.18 0.23 -2.21 0.00 0.00 174.62 175.51 1ie8 n MET 281 N 3.43 0.87 -0.21 7.08 2.81 -1.26 -1.18 117.12 128.66 1ie8 n MET 281 Ca -0.19 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.65 1ie8 n MET 281 Cb 0.55 -1.50 0.05 0.00 -0.71 0.00 0.00 33.22 31.60 1ie8 n MET 281 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1ie8 h ASP 282 N 0.00 0.67 0.00 7.83 3.32 -1.94 -3.35 116.42 122.94 1ie8 h ASP 282 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ie8 h ASP 282 Cb 0.06 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.45 1ie8 h ASP 282 CO 0.00 0.48 -0.27 -0.90 -1.72 0.00 0.00 179.24 176.83 1ie8 n ASP 283 N -4.69 0.00 -3.57 6.45 5.75 -1.23 -5.03 116.55 114.23 1ie8 n ASP 283 Ca 0.05 -1.54 -0.20 0.00 -0.01 0.00 0.00 54.79 53.09 1ie8 n ASP 283 Cb 0.04 -0.11 0.07 0.00 -1.03 0.00 0.00 41.12 40.09 1ie8 n ASP 283 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 1ie8 n MET 284 N 0.00 -6.11 -4.36 0.11 2.81 -0.32 -5.01 117.12 104.24 1ie8 n MET 284 Ca 0.00 0.75 -0.18 0.00 -1.81 0.00 0.00 57.70 56.46 1ie8 n MET 284 Cb 0.61 -5.61 -0.10 0.00 -0.71 0.00 0.00 33.22 27.40 1ie8 n MET 284 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1ie8 s SER 285 N -4.21 1.71 -0.44 7.83 1.04 -1.15 -4.69 113.70 113.79 1ie8 s SER 285 Ca 0.09 -1.35 -0.13 0.00 0.48 0.00 0.00 55.95 55.05 1ie8 s SER 285 Cb -0.04 0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.19 1ie8 s SER 285 CO 0.76 -0.65 0.33 0.26 0.98 0.00 0.00 173.24 174.92 1ie8 s TRP 286 N -3.54 3.27 -0.40 5.02 0.51 -0.14 -0.56 118.94 123.12 1ie8 s TRP 286 Ca 0.35 -1.11 -0.17 0.00 -2.12 0.00 0.00 56.10 53.06 1ie8 s TRP 286 Cb 0.08 -2.99 0.01 0.00 -0.81 0.00 0.00 33.47 29.76 1ie8 s TRP 286 CO 0.13 -0.79 0.42 0.99 -0.51 0.00 0.00 176.95 177.19 1ie8 s THR 287 N 1.56 5.11 -0.20 2.01 2.01 -0.32 -0.58 115.64 125.24 1ie8 s THR 287 Ca 0.04 -0.22 0.13 0.00 0.31 0.00 0.00 61.69 61.95 1ie8 s THR 287 Cb -0.23 -3.97 0.41 0.00 0.01 0.00 0.00 72.50 68.72 1ie8 s THR 287 CO 0.05 -0.32 1.26 0.00 -0.69 0.00 0.00 174.62 174.92 1ie8 n GLY 289 N -1.16 0.65 3.29 0.00 0.00 -1.25 -4.79 105.19 101.92 1ie8 n GLY 289 Ca 0.21 -1.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.41 1ie8 n GLY 289 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ie8 s ASN 290 N -4.00 -1.02 0.41 1.61 2.20 -1.26 -4.59 114.94 108.28 1ie8 s ASN 290 Ca 0.00 1.00 0.19 0.00 -0.94 0.00 0.00 52.86 53.12 1ie8 s ASN 290 Cb 0.00 -1.46 1.13 0.00 -2.00 0.00 0.00 41.25 38.92 1ie8 s ASN 290 CO 0.00 -5.36 1.79 1.56 -2.94 0.00 0.00 177.10 172.15 1ie8 h GLN 291 N -3.42 0.36 -0.98 3.55 1.08 -1.99 -0.94 115.11 112.78 1ie8 h GLN 291 Ca -0.47 -0.02 0.12 0.00 -1.45 0.00 0.00 58.65 56.83 1ie8 h GLN 291 Cb 1.35 -0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.61 1ie8 h GLN 291 CO 0.32 0.24 0.61 -0.44 -0.95 0.00 0.00 178.83 178.60 1ie8 h ASP 292 N 0.37 0.89 -0.69 1.46 3.45 -2.00 -2.37 116.42 117.53 1ie8 h ASP 292 Ca 0.57 0.05 -0.35 0.00 0.43 0.00 0.00 57.03 57.73 1ie8 h ASP 292 Cb 1.50 -0.13 -0.21 0.00 -0.56 0.00 0.00 39.33 39.94 1ie8 h ASP 292 CO -0.26 0.47 0.30 -1.22 -1.57 0.00 0.00 179.24 176.96 1ie8 n TYR 293 N -4.64 2.13 -3.65 4.55 4.02 -0.37 -4.87 117.16 114.33 1ie8 n TYR 293 Ca 0.18 -1.70 -0.38 0.00 -0.01 0.00 0.00 57.90 55.99 1ie8 n TYR 293 Cb 0.35 -0.73 -0.12 0.00 -0.02 0.00 0.00 39.34 38.83 1ie8 n TYR 293 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 1ie8 s LYS 294 N -3.26 3.81 -0.24 -0.72 2.20 -0.90 -1.17 119.74 119.45 1ie8 s LYS 294 Ca 0.51 -0.40 -0.08 0.00 -0.36 0.00 0.00 55.97 55.64 1ie8 s LYS 294 Cb 0.44 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 33.18 1ie8 s LYS 294 CO 0.06 -0.20 0.09 0.71 -0.36 0.00 0.00 175.35 175.65 1ie8 s TYR 295 N 1.70 3.15 0.46 4.03 1.51 0.26 -4.96 117.35 123.50 1ie8 s TYR 295 Ca 0.07 -0.20 0.06 0.00 -1.01 0.00 0.00 57.07 55.98 1ie8 s TYR 295 Cb -0.16 -2.24 -0.02 0.00 -0.11 0.00 0.00 41.96 39.43 1ie8 s TYR 295 CO 0.08 -0.21 0.21 1.03 -1.11 0.00 0.00 175.55 175.55 1ie8 s ARG 296 N 1.39 2.23 0.29 -0.62 0.52 -1.26 -0.96 118.95 120.53 1ie8 s ARG 296 Ca 0.06 -1.97 0.02 0.00 -0.52 0.00 0.00 55.73 53.31 1ie8 s ARG 296 Cb -0.15 -1.94 0.58 0.00 0.52 0.00 0.00 34.95 33.96 1ie8 s ARG 296 CO 0.05 -0.27 1.84 0.28 0.02 0.00 0.00 175.30 177.21 1ie8 h VAL 297 N 1.25 0.91 0.00 3.52 2.07 -1.98 0.09 116.25 122.12 1ie8 h VAL 297 Ca -0.42 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 1ie8 h VAL 297 Cb 1.27 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1ie8 h VAL 297 CO 0.68 0.18 -0.10 0.77 0.02 0.00 0.00 177.57 179.11 1ie8 h SER 298 N 0.97 0.00 0.31 0.57 4.64 -1.99 -1.61 113.55 116.44 1ie8 h SER 298 Ca 0.50 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.65 1ie8 h SER 298 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1ie8 h SER 298 CO -0.27 0.10 -0.69 0.44 -0.87 0.00 0.00 176.83 175.55 1ie8 h ASP 299 N 0.00 0.40 0.37 4.97 3.32 -1.36 -2.14 116.42 121.98 1ie8 h ASP 299 Ca -0.00 -0.25 -0.15 0.00 0.02 0.00 0.00 57.03 56.65 1ie8 h ASP 299 Cb 0.24 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 1ie8 h ASP 299 CO 0.01 0.97 -0.61 0.58 -1.72 0.00 0.00 179.24 178.47 1ie8 h VAL 300 N 0.24 1.39 -0.12 -1.35 2.07 -1.19 -2.42 116.25 114.86 1ie8 h VAL 300 Ca -0.02 -1.99 -0.12 0.00 0.82 0.00 0.00 66.70 65.38 1ie8 h VAL 300 Cb 1.25 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1ie8 h VAL 300 CO 0.11 0.59 -0.47 0.71 0.02 0.00 0.00 177.57 178.53 1ie8 h THR 301 N 0.17 1.33 0.00 2.57 1.35 -1.33 -1.87 112.91 115.13 1ie8 h THR 301 Ca -0.01 -1.67 0.00 0.00 -0.55 0.00 0.00 66.41 64.19 1ie8 h THR 301 Cb 1.11 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1ie8 h THR 301 CO 0.09 0.50 0.00 0.29 -0.25 0.00 0.00 175.52 176.15 1ie8 n LYS 302 N -3.98 0.27 -0.19 4.72 5.02 -0.81 -1.34 118.16 121.84 1ie8 n LYS 302 Ca -0.02 0.11 0.10 0.00 -2.02 0.00 0.00 58.31 56.48 1ie8 n LYS 302 Cb 0.53 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.24 1ie8 n LYS 302 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ie8 n ALA 303 N -1.29 2.38 -0.12 7.82 0.00 -0.73 -2.57 120.51 126.00 1ie8 n ALA 303 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1ie8 n ALA 303 Cb 0.15 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1ie8 n ALA 303 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ie8 n GLY 304 N 1.27 0.75 3.94 0.00 0.00 -0.45 -4.75 105.19 105.95 1ie8 n GLY 304 Ca 0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 1ie8 n GLY 304 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ie8 s HIS 305 N -2.12 3.49 0.41 1.61 3.76 -1.03 -4.91 115.29 116.50 1ie8 s HIS 305 Ca 0.00 0.33 0.08 0.00 -0.15 0.00 0.00 55.06 55.31 1ie8 s HIS 305 Cb 0.00 -1.87 -0.03 0.00 1.11 0.00 0.00 32.58 31.79 1ie8 s HIS 305 CO 0.00 0.21 0.31 -1.54 -0.85 0.00 0.00 174.74 172.86 1ie8 s SER 306 N -3.81 4.84 0.58 1.40 1.04 -1.26 -4.22 113.70 112.27 1ie8 s SER 306 Ca 0.39 -0.85 0.27 0.00 0.48 0.00 0.00 55.95 56.24 1ie8 s SER 306 Cb -0.10 -0.55 1.72 0.00 0.10 0.00 0.00 66.02 67.20 1ie8 s SER 306 CO 0.33 -0.61 2.24 0.25 0.98 0.00 0.00 173.24 176.44 1ie8 h LEU 307 N 1.17 0.00 -2.53 2.42 5.85 -1.99 -1.38 115.31 118.85 1ie8 h LEU 307 Ca -0.42 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.31 1ie8 h LEU 307 Cb 1.26 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 1ie8 h LEU 307 CO 0.62 0.00 0.06 -0.33 -0.34 0.00 0.00 178.44 178.45 1ie8 h GLU 308 N 0.00 0.00 0.00 1.25 5.08 -2.01 -1.11 114.58 117.79 1ie8 h GLU 308 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 1ie8 h GLU 308 Cb 0.01 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1ie8 h GLU 308 CO -0.00 0.00 -2.31 -0.11 -1.00 0.00 0.00 179.01 175.59 1ie8 n LEU 309 N -3.59 2.26 -0.03 1.33 7.94 -0.60 -4.56 117.00 119.76 1ie8 n LEU 309 Ca -0.02 0.11 -0.11 0.00 -1.11 0.00 0.00 56.01 54.88 1ie8 n LEU 309 Cb 0.15 -0.74 -0.05 0.00 0.53 0.00 0.00 43.42 43.31 1ie8 n LEU 309 CO 0.25 0.67 0.89 0.40 -1.11 0.00 0.00 177.39 178.48 1ie8 h ILE 310 N -0.47 1.10 0.07 1.96 5.03 -1.08 -1.73 117.51 122.39 1ie8 h ILE 310 Ca -0.56 -0.28 0.02 0.00 -0.12 0.00 0.00 64.86 63.92 1ie8 h ILE 310 Cb 1.64 1.01 -0.03 0.00 -3.03 0.00 0.00 36.82 36.41 1ie8 h ILE 310 CO -0.24 0.09 -0.19 -0.33 -0.68 0.00 0.00 178.15 176.81 1ie8 h GLU 311 N 0.14 -0.33 -0.34 2.37 5.08 -1.48 -0.43 114.58 119.59 1ie8 h GLU 311 Ca 0.05 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ie8 h GLU 311 Cb 0.08 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1ie8 h GLU 311 CO -0.01 -0.22 0.16 -1.35 -1.00 0.00 0.00 179.01 176.59 1ie8 h PRO 312 N -0.34 0.46 -0.45 2.33 0.11 -1.74 -0.93 132.00 131.44 1ie8 h PRO 312 Ca 0.04 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1ie8 h PRO 312 Cb 0.38 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.37 1ie8 h PRO 312 CO -0.13 0.36 0.17 1.25 -0.21 0.00 0.00 178.00 179.45 1ie8 h LEU 313 N 0.47 0.63 -0.48 2.35 5.85 -0.58 -0.35 115.31 123.20 1ie8 h LEU 313 Ca 0.12 -0.17 -0.12 0.00 0.84 0.00 0.00 57.88 58.54 1ie8 h LEU 313 Cb 0.05 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1ie8 h LEU 313 CO -0.02 0.63 -0.18 0.40 -0.34 0.00 0.00 178.44 178.94 1ie8 h ILE 314 N 0.58 1.27 -0.98 4.05 1.08 -0.47 -0.79 117.51 122.26 1ie8 h ILE 314 Ca 0.15 -1.33 0.02 0.00 -0.39 0.00 0.00 64.86 63.31 1ie8 h ILE 314 Cb 0.20 1.12 -0.05 0.00 -3.07 0.00 0.00 36.82 35.03 1ie8 h ILE 314 CO -0.01 0.46 0.65 0.50 -0.69 0.00 0.00 178.15 179.05 1ie8 h LYS 315 N 0.81 1.26 -0.45 2.37 3.64 -1.01 -0.72 116.57 122.47 1ie8 h LYS 315 Ca 0.11 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1ie8 h LYS 315 Cb 0.75 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.26 1ie8 h LYS 315 CO 0.06 0.83 0.07 0.35 -2.27 0.00 0.00 179.45 178.49 1ie8 h PHE 316 N 1.30 0.79 -0.65 1.91 3.57 -0.70 -0.80 116.94 122.37 1ie8 h PHE 316 Ca 0.37 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1ie8 h PHE 316 Cb -0.10 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.39 1ie8 h PHE 316 CO -0.00 0.75 0.33 1.96 -2.23 0.00 0.00 178.31 179.12 1ie8 h GLN 317 N 0.61 0.92 -0.24 1.11 1.08 -0.45 -0.54 115.11 117.59 1ie8 h GLN 317 Ca 0.14 -0.13 -0.06 0.00 -1.45 0.00 0.00 58.65 57.15 1ie8 h GLN 317 Cb 0.39 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1ie8 h GLN 317 CO 0.01 0.72 -0.08 0.28 -0.95 0.00 0.00 178.83 178.81 1ie8 h VAL 318 N 0.89 1.29 -0.63 -0.54 2.07 -1.02 -0.16 116.25 118.16 1ie8 h VAL 318 Ca 0.22 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1ie8 h VAL 318 Cb 0.09 1.53 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1ie8 h VAL 318 CO -0.03 0.35 0.37 1.23 0.02 0.00 0.00 177.57 179.50 1ie8 h GLY 319 N 0.21 0.92 1.29 2.17 0.00 -0.96 -0.87 103.07 105.83 1ie8 h GLY 319 Ca 0.06 -0.39 -0.22 0.00 0.00 0.00 0.00 47.33 46.79 1ie8 h GLY 319 CO 0.03 0.37 -0.78 -2.00 0.00 0.00 0.00 176.54 174.17 1ie8 h LEU 320 N 0.88 0.83 -0.77 3.11 5.85 -0.93 -3.07 115.31 121.20 1ie8 h LEU 320 Ca 0.23 -0.55 0.01 0.00 0.84 0.00 0.00 57.88 58.40 1ie8 h LEU 320 Cb -0.01 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1ie8 h LEU 320 CO -0.04 1.34 0.51 0.11 -0.34 0.00 0.00 178.44 180.01 1ie8 h LYS 321 N 0.47 1.02 0.00 1.25 1.79 -0.53 -2.17 116.57 118.40 1ie8 h LYS 321 Ca -0.05 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1ie8 h LYS 321 Cb 1.39 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 1ie8 h LYS 321 CO 0.15 0.68 0.00 1.63 -1.08 0.00 0.00 179.45 180.83 1ie8 n LYS 322 N -4.54 0.19 0.13 3.15 5.02 -0.37 -1.41 118.16 120.33 1ie8 n LYS 322 Ca 0.07 0.46 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 1ie8 n LYS 322 Cb 0.02 -1.90 0.47 0.00 -0.02 0.00 0.00 35.03 33.60 1ie8 n LYS 322 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ie8 n LEU 323 N -2.26 0.76 -3.86 -0.35 4.77 -0.81 -4.91 117.00 110.33 1ie8 n LEU 323 Ca 0.01 0.64 -0.24 0.00 -0.03 0.00 0.00 56.01 56.40 1ie8 n LEU 323 Cb 0.20 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1ie8 n LEU 323 CO 0.18 -0.45 -0.17 0.59 -1.33 0.00 0.00 177.39 176.21 1ie8 n ASN 324 N -2.29 -0.61 -4.76 -1.43 4.13 -0.50 -4.87 115.26 104.93 1ie8 n ASN 324 Ca 0.03 -0.94 -0.39 0.00 1.68 0.00 0.00 54.58 54.97 1ie8 n ASN 324 Cb 0.30 -3.43 0.02 0.00 -1.54 0.00 0.00 39.78 35.13 1ie8 n ASN 324 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1ie8 s LEU 325 N -6.86 3.97 0.54 3.41 1.43 -1.26 -5.00 118.68 114.92 1ie8 s LEU 325 Ca 0.00 2.71 -0.17 0.00 -1.03 0.00 0.00 54.13 55.64 1ie8 s LEU 325 Cb -0.00 -4.15 -0.06 0.00 0.03 0.00 0.00 46.19 42.00 1ie8 s LEU 325 CO 0.86 -1.30 1.03 -1.00 0.23 0.00 0.00 176.35 176.17 1ie8 s HIS 326 N -1.32 3.11 0.42 0.29 3.76 -1.26 -4.84 115.29 115.45 1ie8 s HIS 326 Ca 0.66 1.52 0.11 0.00 -0.15 0.00 0.00 55.06 57.20 1ie8 s HIS 326 Cb -0.39 -2.97 0.95 0.00 1.11 0.00 0.00 32.58 31.29 1ie8 s HIS 326 CO 0.47 -0.83 2.02 1.49 -0.85 0.00 0.00 174.74 177.04 1ie8 h GLU 327 N 0.89 0.46 -0.80 1.40 4.81 -1.99 0.00 114.58 119.35 1ie8 h GLU 327 Ca -0.48 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.75 1ie8 h GLU 327 Cb 1.21 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1ie8 h GLU 327 CO 0.59 0.30 0.52 0.93 -0.73 0.00 0.00 179.01 180.62 1ie8 h GLU 328 N 0.47 1.01 -0.43 1.92 3.07 -1.96 -0.97 114.58 117.70 1ie8 h GLU 328 Ca 0.22 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.89 1ie8 h GLU 328 Cb 0.26 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.93 1ie8 h GLU 328 CO -0.06 0.67 -0.24 0.93 -1.40 0.00 0.00 179.01 178.92 1ie8 h GLU 329 N 1.04 0.91 -0.32 2.33 5.08 -1.43 -2.12 114.58 120.06 1ie8 h GLU 329 Ca 0.31 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ie8 h GLU 329 Cb -0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1ie8 h GLU 329 CO -0.09 1.07 0.18 1.25 -1.00 0.00 0.00 179.01 180.42 1ie8 h HIS 330 N 0.74 0.44 -0.08 4.33 2.76 -0.65 0.14 115.15 122.83 1ie8 h HIS 330 Ca 0.09 -0.01 -0.16 0.00 -2.20 0.00 0.00 60.37 58.10 1ie8 h HIS 330 Cb 0.81 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.62 1ie8 h HIS 330 CO 0.06 0.34 -0.63 -0.39 -1.30 0.00 0.00 177.93 176.01 1ie8 h VAL 331 N 0.41 1.39 -0.53 5.26 -1.51 -1.20 -2.04 116.25 118.03 1ie8 h VAL 331 Ca 0.12 -2.02 -0.09 0.00 -1.23 0.00 0.00 66.70 63.48 1ie8 h VAL 331 Cb 0.04 2.02 -0.02 0.00 -2.13 0.00 0.00 31.29 31.20 1ie8 h VAL 331 CO -0.02 0.60 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.84 1ie8 h LEU 332 N 0.21 0.89 -0.64 4.19 3.38 -1.18 -1.74 115.31 120.41 1ie8 h LEU 332 Ca -0.01 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 1ie8 h LEU 332 Cb 1.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1ie8 h LEU 332 CO 0.10 0.95 0.13 0.25 0.09 0.00 0.00 178.44 179.96 1ie8 h LEU 333 N 0.84 1.00 -0.63 1.67 5.85 -0.63 -0.49 115.31 122.92 1ie8 h LEU 333 Ca 0.15 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1ie8 h LEU 333 Cb 0.51 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1ie8 h LEU 333 CO 0.03 0.99 0.23 0.24 -0.34 0.00 0.00 178.44 179.59 1ie8 h MET 334 N 0.97 0.97 -0.65 1.25 2.86 -1.20 -0.83 114.93 118.30 1ie8 h MET 334 Ca 0.20 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1ie8 h MET 334 Cb 0.40 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 1ie8 h MET 334 CO 0.01 0.83 0.29 0.00 1.06 0.00 0.00 176.91 179.10 1ie8 h ALA 335 N 1.09 0.84 -0.64 6.32 0.00 -0.92 -1.94 119.26 124.00 1ie8 h ALA 335 Ca 0.21 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ie8 h ALA 335 Cb 0.25 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1ie8 h ALA 335 CO -0.01 0.42 0.10 0.82 0.00 0.00 0.00 179.25 180.58 1ie8 h ILE 336 N 0.90 1.26 -0.53 0.00 2.04 -0.89 -1.60 117.51 118.68 1ie8 h ILE 336 Ca 0.22 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 65.07 1ie8 h ILE 336 Cb 0.15 0.66 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1ie8 h ILE 336 CO -0.02 0.38 0.35 0.00 0.00 0.00 0.00 178.15 178.86 1ie8 h ILE 338 N 0.72 1.28 -1.59 0.00 2.04 -0.98 -3.33 117.51 115.65 1ie8 h ILE 338 Ca 0.20 -1.01 -0.76 0.00 1.00 0.00 0.00 64.86 64.29 1ie8 h ILE 338 Cb -0.07 1.56 -0.17 0.00 -0.74 0.00 0.00 36.82 37.39 1ie8 h ILE 338 CO -0.05 0.30 1.86 0.52 0.00 0.00 0.00 178.15 180.79 1ie8 n VAL 339 N -4.64 4.53 -3.81 1.67 0.31 -0.64 -4.80 118.33 110.95 1ie8 n VAL 339 Ca -0.05 -4.62 -0.36 0.00 -0.01 0.00 0.00 64.34 59.30 1ie8 n VAL 339 Cb 0.27 -2.30 -0.13 0.00 -0.91 0.00 0.00 33.84 30.77 1ie8 n VAL 339 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1ie8 s SER 340 N 0.43 4.96 0.37 4.52 0.01 -1.25 -4.39 113.70 118.35 1ie8 s SER 340 Ca 0.39 -0.24 0.27 0.00 1.31 0.00 0.00 55.95 57.68 1ie8 s SER 340 Cb 0.09 -1.88 1.03 0.00 0.21 0.00 0.00 66.02 65.47 1ie8 s SER 340 CO 0.02 -0.02 1.81 1.55 0.41 0.00 0.00 173.24 177.00 1ie8 h PRO 341 N 8.13 0.00 -0.37 12.44 0.13 -1.87 -3.25 132.00 147.21 1ie8 h PRO 341 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1ie8 h PRO 341 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ie8 h PRO 341 CO 0.59 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.96 1ie8 n ASP 342 N -2.62 1.76 -4.76 1.44 3.85 -1.26 -4.82 116.55 110.14 1ie8 n ASP 342 Ca 0.02 -2.05 -0.41 0.00 -0.71 0.00 0.00 54.79 51.64 1ie8 n ASP 342 Cb 0.31 -0.25 -0.03 0.00 -1.35 0.00 0.00 41.12 39.80 1ie8 n ASP 342 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 1ie8 s ARG 343 N -1.62 4.51 0.29 0.11 1.81 -1.23 -4.95 118.95 117.87 1ie8 s ARG 343 Ca 0.20 1.98 -0.29 0.00 -1.72 0.00 0.00 55.73 55.89 1ie8 s ARG 343 Cb 0.11 -3.15 -0.10 0.00 -0.45 0.00 0.00 34.95 31.36 1ie8 s ARG 343 CO 0.12 0.02 1.44 -1.25 -0.68 0.00 0.00 175.30 174.95 1ie8 s PRO 344 N -1.43 4.24 0.00 3.54 0.04 -1.26 -2.85 135.00 137.28 1ie8 s PRO 344 Ca 0.47 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.89 1ie8 s PRO 344 Cb -0.35 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.12 1ie8 s PRO 344 CO 0.45 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 177.48 1ie8 n GLY 345 N 1.63 0.48 3.77 0.56 0.00 -1.26 -5.01 105.19 105.36 1ie8 n GLY 345 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1ie8 n GLY 345 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ie8 s VAL 346 N -2.20 3.35 -0.17 1.61 -7.23 -1.13 -4.97 120.40 109.66 1ie8 s VAL 346 Ca 0.00 1.21 -0.16 0.00 -1.81 0.00 0.00 61.98 61.22 1ie8 s VAL 346 Cb 0.00 -3.71 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 1ie8 s VAL 346 CO 0.00 0.18 -0.30 0.00 -0.31 0.00 0.00 175.10 174.67 1ie8 n GLN 347 N 0.51 0.51 -2.63 4.82 1.13 -1.26 -4.69 117.38 115.77 1ie8 n GLN 347 Ca 0.02 0.30 -0.43 0.00 -1.94 0.00 0.00 57.00 54.95 1ie8 n GLN 347 Cb 0.46 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.31 1ie8 n GLN 347 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1ie8 n ASP 348 N -4.49 5.56 -0.33 1.08 4.64 -1.26 -4.79 116.55 116.97 1ie8 n ASP 348 Ca -0.14 -3.20 0.05 0.00 -1.38 0.00 0.00 54.79 50.11 1ie8 n ASP 348 Cb 0.47 -1.41 0.23 0.00 -1.04 0.00 0.00 41.12 39.37 1ie8 n ASP 348 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1ie8 h ALA 349 N 5.76 1.51 -0.74 -1.67 0.00 -1.87 -2.40 119.26 119.84 1ie8 h ALA 349 Ca 0.32 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1ie8 h ALA 349 Cb 0.65 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1ie8 h ALA 349 CO 1.48 0.33 0.24 0.00 0.00 0.00 0.00 179.25 181.31 1ie8 h ALA 350 N 1.51 0.97 -0.47 0.00 0.00 -1.95 0.43 119.26 119.76 1ie8 h ALA 350 Ca 0.42 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1ie8 h ALA 350 Cb 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1ie8 h ALA 350 CO -0.17 0.65 -0.20 1.25 0.00 0.00 0.00 179.25 180.77 1ie8 h LEU 351 N 1.10 0.95 -0.69 0.00 5.85 -1.89 -1.52 115.31 119.11 1ie8 h LEU 351 Ca 0.24 -0.35 -0.09 0.00 0.84 0.00 0.00 57.88 58.52 1ie8 h LEU 351 Cb 0.29 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 1ie8 h LEU 351 CO -0.01 1.12 0.03 0.40 -0.34 0.00 0.00 178.44 179.64 1ie8 h ILE 352 N 0.81 1.26 -0.30 4.05 2.04 -1.08 -1.63 117.51 122.67 1ie8 h ILE 352 Ca 0.11 -1.11 -0.08 0.00 1.00 0.00 0.00 64.86 64.79 1ie8 h ILE 352 Cb 0.76 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1ie8 h ILE 352 CO 0.06 0.40 -0.14 -0.08 0.00 0.00 0.00 178.15 178.39 1ie8 h GLU 353 N 0.96 0.52 -0.29 2.37 4.81 -0.69 0.28 114.58 122.54 1ie8 h GLU 353 Ca 0.18 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1ie8 h GLU 353 Cb 0.52 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1ie8 h GLU 353 CO 0.02 0.65 0.02 0.00 -0.73 0.00 0.00 179.01 178.98 1ie8 h ALA 354 N 1.38 0.39 -0.53 2.92 0.00 -0.82 0.23 119.26 122.83 1ie8 h ALA 354 Ca 0.08 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1ie8 h ALA 354 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1ie8 h ALA 354 CO 0.03 0.11 0.20 0.82 0.00 0.00 0.00 179.25 180.42 1ie8 h ILE 355 N 0.31 1.22 -0.61 0.00 1.08 -0.99 -1.72 117.51 116.81 1ie8 h ILE 355 Ca 0.09 -0.70 -0.08 0.00 -0.39 0.00 0.00 64.86 63.77 1ie8 h ILE 355 Cb 0.39 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 1ie8 h ILE 355 CO 0.01 0.27 0.05 -0.61 -0.69 0.00 0.00 178.15 177.18 1ie8 h GLN 356 N 0.72 1.04 -0.90 2.37 4.15 -0.74 -2.48 115.11 119.28 1ie8 h GLN 356 Ca 0.18 -0.31 -0.02 0.00 0.77 0.00 0.00 58.65 59.27 1ie8 h GLN 356 Cb 0.22 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.75 1ie8 h GLN 356 CO -0.01 1.00 0.49 -0.44 -1.93 0.00 0.00 178.83 177.94 1ie8 h ASP 357 N 0.94 1.13 -0.98 -0.69 3.32 -0.33 0.31 116.42 120.13 1ie8 h ASP 357 Ca 0.18 -0.10 0.01 0.00 0.02 0.00 0.00 57.03 57.14 1ie8 h ASP 357 Cb 0.49 -0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1ie8 h ASP 357 CO 0.02 0.91 0.65 -0.09 -1.72 0.00 0.00 179.24 179.01 1ie8 h ARG 358 N 1.27 1.28 -0.25 3.56 2.43 -1.06 0.23 114.38 121.84 1ie8 h ARG 358 Ca 0.32 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 59.24 1ie8 h ARG 358 Cb 0.03 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.29 1ie8 h ARG 358 CO -0.05 0.85 -0.51 -0.07 -1.51 0.00 0.00 179.97 178.67 1ie8 h LEU 359 N 1.32 0.89 -0.68 3.80 3.38 -0.90 -2.72 115.31 120.40 1ie8 h LEU 359 Ca 0.36 -0.54 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1ie8 h LEU 359 Cb -0.14 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.32 1ie8 h LEU 359 CO -0.08 1.27 0.18 0.28 0.09 0.00 0.00 178.44 180.18 1ie8 h SER 360 N 0.55 1.02 -0.12 -0.43 0.02 0.03 -0.91 113.55 113.72 1ie8 h SER 360 Ca 0.01 -0.23 -0.10 0.00 -0.84 0.00 0.00 61.79 60.63 1ie8 h SER 360 Cb 1.12 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1ie8 h SER 360 CO 0.11 0.98 -0.25 0.78 -1.14 0.00 0.00 176.83 177.31 1ie8 h ASN 361 N 1.01 0.57 -0.35 3.07 2.35 -1.02 0.46 115.58 121.67 1ie8 h ASN 361 Ca 0.22 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1ie8 h ASN 361 Cb 0.35 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1ie8 h ASN 361 CO -0.00 0.81 0.12 0.74 -1.65 0.00 0.00 177.43 177.45 1ie8 h THR 362 N 0.49 1.20 -0.18 2.81 2.02 -1.13 -0.14 112.91 117.99 1ie8 h THR 362 Ca 0.07 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.59 1ie8 h THR 362 Cb 0.70 0.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1ie8 h THR 362 CO 0.05 0.22 0.06 0.25 0.37 0.00 0.00 175.52 176.47 1ie8 h LEU 363 N 0.42 0.26 -0.95 2.58 5.85 -0.80 0.73 115.31 123.40 1ie8 h LEU 363 Ca 0.12 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1ie8 h LEU 363 Cb 0.23 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 1ie8 h LEU 363 CO -0.01 0.39 0.61 1.56 -0.34 0.00 0.00 178.44 180.66 1ie8 h GLN 364 N 0.11 1.27 -0.31 1.25 4.20 -0.78 -0.55 115.11 120.30 1ie8 h GLN 364 Ca 0.06 -0.09 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 1ie8 h GLN 364 Cb 0.22 -0.28 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 1ie8 h GLN 364 CO -0.00 0.86 -0.03 1.15 -0.67 0.00 0.00 178.83 180.14 1ie8 h THR 365 N 1.30 1.27 -0.52 -0.54 2.02 -0.85 -2.16 112.91 113.42 1ie8 h THR 365 Ca 0.35 -1.01 0.02 0.00 0.77 0.00 0.00 66.41 66.53 1ie8 h THR 365 Cb -0.11 1.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1ie8 h THR 365 CO -0.07 0.33 0.31 0.22 0.37 0.00 0.00 175.52 176.68 1ie8 h TYR 366 N 0.35 0.59 -0.02 3.16 5.03 -0.47 -2.89 116.97 122.71 1ie8 h TYR 366 Ca 0.08 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.41 1ie8 h TYR 366 Cb 0.49 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.58 1ie8 h TYR 366 CO 0.04 0.34 0.01 0.82 -1.32 0.00 0.00 178.16 178.05 1ie8 h ILE 367 N 0.63 1.08 -0.32 1.81 2.04 -1.00 0.38 117.51 122.13 1ie8 h ILE 367 Ca 0.21 -0.24 -0.21 0.00 1.00 0.00 0.00 64.86 65.62 1ie8 h ILE 367 Cb 0.01 1.20 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 1ie8 h ILE 367 CO -0.09 0.07 0.23 0.54 0.00 0.00 0.00 178.15 178.90 1ie8 n ARG 368 N -5.02 1.56 0.00 2.37 1.74 -0.82 -2.48 116.66 114.00 1ie8 n ARG 368 Ca -0.07 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 55.99 1ie8 n ARG 368 Cb 0.07 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.07 1ie8 n ARG 368 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ie8 n ARG 370 N -2.13 4.81 -3.09 0.00 5.12 0.13 -4.96 116.66 116.53 1ie8 n ARG 370 Ca 0.00 -0.01 -0.43 0.00 -1.93 0.00 0.00 57.85 55.48 1ie8 n ARG 370 Cb 0.00 -0.81 -0.07 0.00 -1.16 0.00 0.00 32.46 30.43 1ie8 n ARG 370 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1ie8 s HIS 371 N -1.60 3.05 0.48 -1.55 2.46 -1.04 -5.03 115.29 112.07 1ie8 s HIS 371 Ca 0.03 -0.05 -0.24 0.00 0.47 0.00 0.00 55.06 55.27 1ie8 s HIS 371 Cb 0.05 -3.39 -0.07 0.00 -0.13 0.00 0.00 32.58 29.04 1ie8 s HIS 371 CO 0.26 -0.89 1.33 -2.14 -2.47 0.00 0.00 174.74 170.83 1ie8 s PRO 372 N 2.87 3.56 0.72 2.88 0.02 -1.26 -4.89 135.00 138.91 1ie8 s PRO 372 Ca 0.23 2.19 -0.12 0.00 0.02 0.00 0.00 61.00 63.32 1ie8 s PRO 372 Cb -0.14 -2.49 0.03 0.00 0.02 0.00 0.00 34.50 31.92 1ie8 s PRO 372 CO 0.19 -0.84 1.09 -2.14 -0.33 0.00 0.00 177.00 174.97 1ie8 s PRO 373 N -2.61 2.55 0.51 5.54 0.02 -1.26 -5.20 135.00 134.55 1ie8 s PRO 373 Ca 0.64 1.19 -0.16 0.00 0.02 0.00 0.00 61.00 62.69 1ie8 s PRO 373 Cb -0.39 -1.93 -0.08 0.00 0.02 0.00 0.00 34.50 32.12 1ie8 s PRO 373 CO 0.48 -1.42 0.98 -1.25 -0.33 0.00 0.00 177.00 175.46 1ie8 s PRO 374 N -4.68 3.94 0.00 5.54 0.04 -1.26 -5.32 135.00 133.26 1ie8 s PRO 374 Ca 0.62 0.94 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1ie8 s PRO 374 Cb -0.17 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1ie8 s PRO 374 CO 0.51 -0.27 0.00 1.28 0.04 0.00 0.00 177.00 178.57 1ie8 n LEU 378 N -1.59 0.00 -0.28 -3.56 4.77 -1.26 -5.21 117.00 109.87 1ie8 n LEU 378 Ca 0.06 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.00 1ie8 n LEU 378 Cb 0.54 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.70 1ie8 n LEU 378 CO 0.47 0.00 1.19 0.25 -1.33 0.00 0.00 177.39 177.97 1ie8 h LEU 379 N 0.00 0.87 -0.28 2.23 5.85 -2.01 -2.02 115.31 119.96 1ie8 h LEU 379 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 1ie8 h LEU 379 Cb 0.00 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 1ie8 h LEU 379 CO 0.00 0.63 0.17 0.22 -0.34 0.00 0.00 178.44 179.12 1ie8 h TYR 380 N 1.03 0.35 -0.58 1.25 3.20 -1.98 -0.45 116.97 119.79 1ie8 h TYR 380 Ca 0.28 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1ie8 h TYR 380 Cb -0.11 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 1ie8 h TYR 380 CO -0.02 0.24 0.29 0.00 -1.64 0.00 0.00 178.16 177.03 1ie8 h ALA 381 N 1.08 1.42 -0.63 1.82 0.00 -1.96 -1.13 119.26 119.86 1ie8 h ALA 381 Ca 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1ie8 h ALA 381 Cb -0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1ie8 h ALA 381 CO -0.02 0.46 0.08 0.87 0.00 0.00 0.00 179.25 180.65 1ie8 h LYS 382 N 0.81 1.03 -0.58 0.00 1.57 -0.70 -0.85 116.57 117.86 1ie8 h LYS 382 Ca 0.20 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 1ie8 h LYS 382 Cb 0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1ie8 h LYS 382 CO -0.03 0.96 0.02 0.52 -0.57 0.00 0.00 179.45 180.36 1ie8 h MET 383 N 0.97 1.00 -0.73 3.15 2.86 -0.46 -2.08 114.93 119.64 1ie8 h MET 383 Ca 0.19 -0.31 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 1ie8 h MET 383 Cb 0.44 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.97 1ie8 h MET 383 CO 0.01 0.99 0.28 0.82 1.06 0.00 0.00 176.91 180.07 1ie8 h ILE 384 N 0.89 1.25 -0.36 -1.22 1.08 -0.96 -1.97 117.51 116.22 1ie8 h ILE 384 Ca 0.17 -0.78 -0.04 0.00 -0.39 0.00 0.00 64.86 63.81 1ie8 h ILE 384 Cb 0.52 0.39 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 1ie8 h ILE 384 CO 0.03 0.32 0.04 -0.61 -0.69 0.00 0.00 178.15 177.23 1ie8 h GLN 385 N 1.05 0.55 -0.05 2.37 5.75 -0.77 -1.85 115.11 122.17 1ie8 h GLN 385 Ca 0.24 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.57 1ie8 h GLN 385 Cb 0.21 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1ie8 h GLN 385 CO -0.02 0.55 -0.28 0.87 -2.65 0.00 0.00 178.83 177.30 1ie8 h LYS 386 N 0.53 0.08 -0.28 1.69 1.79 -0.68 -0.82 116.57 118.90 1ie8 h LYS 386 Ca 0.12 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.47 1ie8 h LYS 386 Cb 0.29 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1ie8 h LYS 386 CO 0.00 0.36 -0.23 -0.07 -1.08 0.00 0.00 179.45 178.43 1ie8 h LEU 387 N 0.08 0.52 -0.30 2.94 3.38 -1.03 -0.98 115.31 119.92 1ie8 h LEU 387 Ca 0.01 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 57.67 1ie8 h LEU 387 Cb 0.54 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1ie8 h LEU 387 CO 0.04 0.76 -0.33 0.00 0.09 0.00 0.00 178.44 178.99 1ie8 h ALA 388 N 1.29 0.44 -0.78 1.53 0.00 -1.01 -2.66 119.26 118.07 1ie8 h ALA 388 Ca 0.07 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1ie8 h ALA 388 Cb 0.66 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1ie8 h ALA 388 CO 0.05 0.50 0.51 -0.44 0.00 0.00 0.00 179.25 179.87 1ie8 h ASP 389 N 0.51 0.82 -0.25 0.00 3.45 -0.85 -1.84 116.42 118.27 1ie8 h ASP 389 Ca 0.04 -0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.44 1ie8 h ASP 389 Cb 0.91 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 39.47 1ie8 h ASP 389 CO 0.08 0.57 -0.00 -0.07 -1.57 0.00 0.00 179.24 178.24 1ie8 h LEU 390 N 0.96 0.52 -0.80 1.55 4.07 -0.94 -1.36 115.31 119.31 1ie8 h LEU 390 Ca 0.31 -0.10 -0.06 0.00 0.08 0.00 0.00 57.88 58.11 1ie8 h LEU 390 Cb 0.04 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.61 1ie8 h LEU 390 CO -0.09 0.60 0.23 0.03 -1.08 0.00 0.00 178.44 178.13 1ie8 h ARG 391 N 0.53 1.13 -0.38 1.13 2.47 -1.00 -0.37 114.38 117.89 1ie8 h ARG 391 Ca 0.11 -0.24 -0.05 0.00 -1.26 0.00 0.00 59.98 58.55 1ie8 h ARG 391 Cb 0.35 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 1ie8 h ARG 391 CO 0.01 0.96 0.06 1.03 0.56 0.00 0.00 179.97 182.59 1ie8 h SER 392 N 1.09 0.61 -0.35 7.04 0.87 -1.22 -1.41 113.55 120.18 1ie8 h SER 392 Ca 0.24 -0.26 -0.07 0.00 -1.23 0.00 0.00 61.79 60.46 1ie8 h SER 392 Cb 0.30 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 1ie8 h SER 392 CO -0.01 0.72 -0.01 -0.07 -0.53 0.00 0.00 176.83 176.93 1ie8 h LEU 393 N 0.48 0.70 0.02 2.23 3.38 -1.04 -1.61 115.31 119.47 1ie8 h LEU 393 Ca 0.12 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1ie8 h LEU 393 Cb 0.37 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1ie8 h LEU 393 CO 0.01 0.77 -0.01 -1.13 0.09 0.00 0.00 178.44 178.17 1ie8 h ASN 394 N 0.68 -0.03 -0.67 -0.43 -0.73 -0.86 0.11 115.58 113.66 1ie8 h ASN 394 Ca 0.13 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.23 1ie8 h ASN 394 Cb 0.44 0.01 -0.03 0.00 0.27 0.00 0.00 38.32 39.00 1ie8 h ASN 394 CO 0.02 0.07 0.43 -0.33 -0.37 0.00 0.00 177.43 177.25 1ie8 h GLU 395 N -0.12 0.89 -0.50 6.67 4.39 -1.01 0.06 114.58 124.96 1ie8 h GLU 395 Ca -0.00 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.54 1ie8 h GLU 395 Cb 0.11 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 1ie8 h GLU 395 CO 0.01 0.60 -0.06 1.49 -1.16 0.00 0.00 179.01 179.88 1ie8 h GLU 396 N 0.91 0.93 -0.93 2.33 4.57 -1.12 -1.79 114.58 119.48 1ie8 h GLU 396 Ca 0.24 -0.33 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1ie8 h GLU 396 Cb -0.08 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.39 1ie8 h GLU 396 CO -0.05 0.98 0.56 1.25 -1.18 0.00 0.00 179.01 180.57 1ie8 h HIS 397 N 0.79 1.24 -0.58 0.92 2.76 -0.24 -1.48 115.15 118.55 1ie8 h HIS 397 Ca 0.13 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.27 1ie8 h HIS 397 Cb 0.61 -0.41 -0.03 0.00 1.55 0.00 0.00 27.41 29.14 1ie8 h HIS 397 CO 0.04 0.83 0.24 1.03 -1.30 0.00 0.00 177.93 178.77 1ie8 h SER 398 N 1.29 0.79 -0.47 3.26 0.87 -0.73 0.14 113.55 118.70 1ie8 h SER 398 Ca 0.33 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1ie8 h SER 398 Cb -0.04 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.69 1ie8 h SER 398 CO -0.06 0.74 0.29 0.11 -0.53 0.00 0.00 176.83 177.38 1ie8 h LYS 399 N 0.80 0.64 -0.11 2.24 1.57 -0.82 -1.42 116.57 119.47 1ie8 h LYS 399 Ca 0.19 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 1ie8 h LYS 399 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1ie8 h LYS 399 CO -0.02 0.46 -0.53 1.96 -0.57 0.00 0.00 179.45 180.75 1ie8 h GLN 400 N 0.63 0.32 -0.64 3.15 4.20 -1.00 -2.66 115.11 119.12 1ie8 h GLN 400 Ca 0.17 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 1ie8 h GLN 400 Cb -0.02 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1ie8 h GLN 400 CO -0.03 0.77 0.19 -0.92 -0.67 0.00 0.00 178.83 178.17 1ie8 h TYR 401 N 0.25 1.03 -0.57 2.96 3.20 -0.42 -0.37 116.97 123.06 1ie8 h TYR 401 Ca 0.01 -0.11 0.03 0.00 3.14 0.00 0.00 58.73 61.80 1ie8 h TYR 401 Cb 1.02 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 1ie8 h TYR 401 CO 0.03 0.85 0.34 -0.09 -1.64 0.00 0.00 178.16 177.64 1ie8 h ARG 402 N 0.92 0.65 -0.48 1.82 2.43 -1.05 0.47 114.38 119.14 1ie8 h ARG 402 Ca 0.20 -0.04 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 1ie8 h ARG 402 Cb 0.30 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.69 1ie8 h ARG 402 CO -0.01 0.43 0.10 0.00 -1.51 0.00 0.00 179.97 178.99 1ie8 h LEU 404 N 0.66 0.63 -1.63 0.00 5.85 -0.50 -1.94 115.31 118.37 1ie8 h LEU 404 Ca 0.15 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1ie8 h LEU 404 Cb 0.35 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ie8 h LEU 404 CO 0.00 0.53 0.00 0.77 -0.34 0.00 0.00 178.44 179.40 1ie8 h SER 405 N 0.71 0.00 0.94 1.25 4.64 -0.56 -0.48 113.55 120.04 1ie8 h SER 405 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ie8 h SER 405 Cb 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1ie8 h SER 405 CO -0.03 0.00 -0.05 0.49 -0.87 0.00 0.00 176.83 176.38 1ie8 n PHE 406 N -2.64 0.00 -2.49 4.77 0.99 -0.73 -4.79 117.46 112.57 1ie8 n PHE 406 Ca -0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 1ie8 n PHE 406 Cb 0.16 -0.47 -0.02 0.00 -1.00 0.00 0.00 39.48 38.14 1ie8 n PHE 406 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 1ie8 s GLN 407 N -2.99 4.30 0.23 -1.08 2.00 -0.19 -4.94 119.66 116.99 1ie8 s GLN 407 Ca 0.14 1.61 -0.31 0.00 -2.00 0.00 0.00 55.36 54.80 1ie8 s GLN 407 Cb 0.19 -3.65 -0.14 0.00 0.80 0.00 0.00 33.01 30.21 1ie8 s GLN 407 CO 0.54 -0.56 1.33 -2.30 -0.50 0.00 0.00 175.29 173.80 1ie8 n PRO 408 N 5.87 1.82 -0.99 1.67 -0.02 -1.26 -1.61 135.00 140.47 1ie8 n PRO 408 Ca 0.12 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 1ie8 n PRO 408 Cb 0.46 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1ie8 n PRO 408 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ie8 n GLU 409 N 1.81 -0.44 -0.19 -0.52 -0.58 -1.26 -4.92 120.64 114.55 1ie8 n GLU 409 Ca 0.12 0.11 -0.05 0.00 -0.42 0.00 0.00 57.16 56.92 1ie8 n GLU 409 Cb 0.30 -3.43 0.12 0.00 -0.57 0.00 0.00 31.44 27.86 1ie8 n GLU 409 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ie8 h SER 411 N 0.93 0.49 0.49 0.00 4.64 -1.90 -0.47 113.55 117.73 1ie8 h SER 411 Ca 0.20 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.49 1ie8 h SER 411 Cb 0.33 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.34 1ie8 h SER 411 CO 0.00 0.28 -0.22 0.24 -0.87 0.00 0.00 176.83 176.26 1ie8 h MET 412 N 0.54 0.00 -0.00 4.77 2.07 -1.96 -2.02 114.93 118.32 1ie8 h MET 412 Ca 0.35 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.98 1ie8 h MET 412 Cb 0.62 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.35 1ie8 h MET 412 CO -0.12 0.22 -0.14 1.63 1.07 0.00 0.00 176.91 179.57 1ie8 n LYS 413 N -3.72 0.28 0.00 1.72 5.02 -0.20 -4.82 118.16 116.44 1ie8 n LYS 413 Ca -0.01 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 1ie8 n LYS 413 Cb 0.33 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1ie8 n LYS 413 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1ie8 n LEU 414 N -1.29 0.00 -3.97 -0.35 4.77 -0.76 -3.86 117.00 111.53 1ie8 n LEU 414 Ca 0.10 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 56.00 1ie8 n LEU 414 Cb 0.31 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.31 1ie8 n LEU 414 CO 0.27 0.00 -0.24 0.42 -1.33 0.00 0.00 177.39 176.51 1ie8 s THR 415 N 2.48 0.17 0.30 -5.08 -4.23 -1.26 -4.93 115.64 103.10 1ie8 s THR 415 Ca 0.00 -1.41 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1ie8 s THR 415 Cb 0.00 -1.29 0.29 0.00 1.34 0.00 0.00 72.50 72.85 1ie8 s THR 415 CO 0.00 -0.78 1.85 -0.65 -0.54 0.00 0.00 174.62 174.50 1ie8 h PRO 416 N 3.17 0.89 -0.38 3.99 0.11 -1.99 -0.28 132.00 137.51 1ie8 h PRO 416 Ca -0.34 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 65.63 1ie8 h PRO 416 Cb 1.17 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1ie8 h PRO 416 CO 0.59 0.59 -0.12 1.25 -0.21 0.00 0.00 178.00 180.09 1ie8 h LEU 417 N 0.92 0.78 -0.61 2.35 5.85 -1.98 -1.36 115.31 121.26 1ie8 h LEU 417 Ca 0.47 -0.38 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 1ie8 h LEU 417 Cb 0.51 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1ie8 h LEU 417 CO -0.23 0.98 0.26 0.58 -0.34 0.00 0.00 178.44 179.69 1ie8 h VAL 418 N 0.57 1.22 -0.74 1.05 2.07 -1.77 -0.20 116.25 118.44 1ie8 h VAL 418 Ca 0.09 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1ie8 h VAL 418 Cb 0.65 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1ie8 h VAL 418 CO 0.04 0.27 0.49 -0.07 0.02 0.00 0.00 177.57 178.32 1ie8 h LEU 419 N 0.84 0.84 -0.06 2.57 3.38 -0.95 -1.00 115.31 120.93 1ie8 h LEU 419 Ca 0.21 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1ie8 h LEU 419 Cb 0.17 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1ie8 h LEU 419 CO -0.02 0.61 -0.08 -0.08 0.09 0.00 0.00 178.44 178.95 1ie8 h GLU 420 N 0.99 0.16 -0.76 1.13 4.81 -0.93 0.12 114.58 120.11 1ie8 h GLU 420 Ca 0.27 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1ie8 h GLU 420 Cb -0.10 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1ie8 h GLU 420 CO -0.06 0.64 0.48 0.28 -0.73 0.00 0.00 179.01 179.61 1ie8 h VAL 421 N -0.30 1.21 -0.00 0.32 2.07 -0.88 -3.13 116.25 115.53 1ie8 h VAL 421 Ca 0.01 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1ie8 h VAL 421 Cb 0.62 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1ie8 h VAL 421 CO 0.02 0.21 -0.93 0.49 0.02 0.00 0.00 177.57 177.38 1ie8 n PHE 422 N -4.52 0.00 1.74 1.57 3.01 -0.39 -4.90 117.46 113.96 1ie8 n PHE 422 Ca 0.07 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.68 1ie8 n PHE 422 Cb 0.04 -0.03 0.73 0.00 -0.01 0.00 0.00 39.48 40.21 1ie8 n PHE 422 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18