#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwe s TYR 117 N 0.00 1.98 0.26 1.43 2.02 -1.26 -5.02 117.35 116.76 3iwe s TYR 117 Ca 0.00 -2.05 -0.01 0.00 -0.37 0.00 0.00 57.07 54.64 3iwe s TYR 117 Cb 0.00 -1.88 0.57 0.00 -0.40 0.00 0.00 41.96 40.26 3iwe s TYR 117 CO 0.00 -0.86 1.71 0.37 -1.57 0.00 0.00 175.55 175.20 3iwe h GLN 118 N 7.65 0.39 0.00 -0.62 4.15 -2.07 0.10 115.11 124.71 3iwe h GLN 118 Ca -0.09 -0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.26 3iwe h GLN 118 Cb 0.99 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.59 3iwe h GLN 118 CO 0.48 0.26 -0.36 0.35 -1.93 0.00 0.00 178.83 177.62 3iwe h PHE 119 N 0.40 0.00 0.00 3.99 3.57 -2.02 -3.41 116.94 119.48 3iwe h PHE 119 Ca 0.48 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.94 3iwe h PHE 119 Cb 0.82 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 3iwe h PHE 119 CO -0.17 0.52 -0.17 -1.49 -2.23 0.00 0.00 178.31 174.77 3iwe h TRP 120 N -1.00 0.00 0.00 0.41 4.06 -1.94 -0.99 115.95 116.49 3iwe h TRP 120 Ca -0.07 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.88 3iwe h TRP 120 Cb 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.77 3iwe h TRP 120 CO 0.03 0.17 0.00 -0.44 -3.56 0.00 0.00 178.44 174.64 3iwe h ASP 121 N 0.00 0.00 0.39 -3.49 3.32 -1.03 -2.23 116.42 113.38 3iwe h ASP 121 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iwe h ASP 121 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 3iwe h ASP 121 CO 0.02 0.00 -0.31 0.35 -1.72 0.00 0.00 179.24 177.58 3iwe n THR 122 N -2.46 0.00 -3.88 0.35 -2.24 -0.38 -4.97 114.28 100.70 3iwe n THR 122 Ca -0.00 -0.06 -0.25 0.00 -2.27 0.00 0.00 64.05 61.47 3iwe n THR 122 Cb 0.15 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 3iwe n THR 122 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iwe s GLN 123 N -2.71 3.46 -1.36 -0.78 -1.52 -0.84 -5.01 119.66 110.90 3iwe s GLN 123 Ca 0.19 -0.59 -0.15 0.00 -1.95 0.00 0.00 55.36 52.86 3iwe s GLN 123 Cb 0.19 -2.90 0.01 0.00 -0.22 0.00 0.00 33.01 30.08 3iwe s GLN 123 CO 0.58 0.45 2.20 -0.35 -0.25 0.00 0.00 175.29 177.92 3iwe n PRO 124 N -0.91 2.67 -4.13 2.91 -0.04 -1.26 -4.86 135.00 129.37 3iwe n PRO 124 Ca -0.07 -2.48 -0.10 0.00 -0.04 0.00 0.00 63.50 60.81 3iwe n PRO 124 Cb 0.55 -3.23 -0.10 0.00 -0.04 0.00 0.00 33.50 30.68 3iwe n PRO 124 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3iwe s VAL 125 N 3.44 0.52 0.81 0.52 -7.23 -1.26 -1.17 120.40 116.03 3iwe s VAL 125 Ca 0.49 -1.81 -0.11 0.00 -1.81 0.00 0.00 61.98 58.74 3iwe s VAL 125 Cb 0.14 -1.52 0.08 0.00 0.56 0.00 0.00 36.38 35.64 3iwe s VAL 125 CO -0.06 -0.87 1.10 -2.84 -0.31 0.00 0.00 175.10 172.12 3iwe s PRO 126 N -3.64 1.94 0.32 4.82 0.02 -1.26 -4.94 135.00 132.27 3iwe s PRO 126 Ca 0.08 1.19 -0.25 0.00 0.02 0.00 0.00 61.00 62.05 3iwe s PRO 126 Cb 0.05 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.61 3iwe s PRO 126 CO -0.06 -1.87 0.92 0.15 -0.33 0.00 0.00 177.00 175.81 3iwe s LYS 127 N -4.86 4.51 0.16 5.54 1.02 -1.26 -3.80 119.74 121.05 3iwe s LYS 127 Ca 0.62 1.26 -0.33 0.00 0.02 0.00 0.00 55.97 57.54 3iwe s LYS 127 Cb -0.18 -2.74 -0.13 0.00 -0.52 0.00 0.00 37.83 34.25 3iwe s LYS 127 CO 0.56 0.26 1.63 -0.11 -0.92 0.00 0.00 175.35 176.78 3iwe n LEU 128 N 0.45 3.34 0.00 3.17 7.94 -1.26 -1.20 117.00 129.44 3iwe n LEU 128 Ca 0.02 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.99 3iwe n LEU 128 Cb 0.51 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.99 3iwe n LEU 128 CO 0.43 -0.16 0.00 0.61 -1.11 0.00 0.00 177.39 177.17 3iwe n GLY 129 N 3.60 0.66 3.73 -3.96 0.00 -1.26 -5.02 105.19 102.95 3iwe n GLY 129 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3iwe n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iwe s GLU 130 N -0.10 4.46 -0.22 1.61 2.12 -0.34 -5.02 118.70 121.20 3iwe s GLU 130 Ca 0.00 1.88 -0.19 0.00 0.36 0.00 0.00 54.97 57.02 3iwe s GLU 130 Cb 0.00 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 31.10 3iwe s GLU 130 CO 0.00 -0.17 0.55 0.08 -0.54 0.00 0.00 175.26 175.18 3iwe s VAL 131 N 0.30 5.07 -0.20 3.70 1.01 -1.26 -4.96 120.40 124.06 3iwe s VAL 131 Ca 0.55 1.00 -0.05 0.00 0.00 0.00 0.00 61.98 63.48 3iwe s VAL 131 Cb -0.33 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3iwe s VAL 131 CO 0.35 0.13 -0.00 -0.69 0.00 0.00 0.00 175.10 174.88 3iwe s VAL 132 N 1.95 3.92 -0.36 2.92 1.01 -1.26 -4.95 120.40 123.62 3iwe s VAL 132 Ca 0.24 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3iwe s VAL 132 Cb -0.16 -2.77 0.12 0.00 0.00 0.00 0.00 36.38 33.57 3iwe s VAL 132 CO 0.09 0.42 1.10 0.59 0.00 0.00 0.00 175.10 177.31 3iwe n ASN 133 N 4.30 2.36 -4.63 3.32 4.13 -1.26 -4.12 115.26 119.37 3iwe n ASN 133 Ca -0.17 -2.00 -0.29 0.00 1.68 0.00 0.00 54.58 53.80 3iwe n ASN 133 Cb 0.52 -0.09 -0.10 0.00 -1.54 0.00 0.00 39.78 38.57 3iwe n ASN 133 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3iwe s THR 134 N -1.00 1.60 -0.22 3.41 -4.23 -1.26 -5.01 115.64 108.92 3iwe s THR 134 Ca 0.09 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3iwe s THR 134 Cb 0.05 -2.69 0.10 0.00 1.34 0.00 0.00 72.50 71.30 3iwe s THR 134 CO 0.06 0.00 0.21 -1.00 -0.54 0.00 0.00 174.62 173.36 3iwe s HIS 135 N -2.84 -0.21 -4.11 3.99 3.76 -1.24 -3.89 115.29 110.75 3iwe s HIS 135 Ca 0.25 0.00 0.00 0.00 -0.15 0.00 0.00 55.06 55.17 3iwe s HIS 135 Cb 0.07 -0.46 0.00 0.00 1.11 0.00 0.00 32.58 33.30 3iwe s HIS 135 CO 0.13 -0.67 0.00 0.41 -0.85 0.00 0.00 174.74 173.76 3iwe n GLY 136 N 5.31 -2.55 3.73 -2.22 0.00 -0.72 -5.00 105.19 103.73 3iwe n GLY 136 Ca -0.05 -1.27 -0.34 0.00 0.00 0.00 0.00 46.02 44.37 3iwe n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iwe s PRO 137 N -1.98 2.18 -0.03 1.61 0.04 -1.26 -0.66 135.00 134.90 3iwe s PRO 137 Ca 0.00 1.64 0.13 0.00 0.04 0.00 0.00 61.00 62.82 3iwe s PRO 137 Cb 0.00 -1.85 -0.22 0.00 0.04 0.00 0.00 34.50 32.47 3iwe s PRO 137 CO 0.00 -1.78 0.67 0.28 0.04 0.00 0.00 177.00 176.21 3iwe n VAL 138 N -2.82 1.55 -4.13 -0.36 0.31 -1.24 -4.75 118.33 106.89 3iwe n VAL 138 Ca 0.12 -0.78 -0.09 0.00 -0.01 0.00 0.00 64.34 63.58 3iwe n VAL 138 Cb 0.51 -0.98 -0.10 0.00 -0.91 0.00 0.00 33.84 32.35 3iwe n VAL 138 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3iwe s GLU 139 N -2.64 0.75 0.62 5.55 -1.05 -1.26 -5.04 118.70 115.62 3iwe s GLU 139 Ca -0.05 -1.31 -0.16 0.00 -0.15 0.00 0.00 54.97 53.31 3iwe s GLU 139 Cb 0.08 0.12 -0.02 0.00 -0.44 0.00 0.00 34.13 33.86 3iwe s GLU 139 CO 0.82 -0.13 1.09 -1.25 0.95 0.00 0.00 175.26 176.74 3iwe s PRO 140 N -3.93 3.10 0.45 -4.83 0.04 -1.26 -4.99 135.00 123.58 3iwe s PRO 140 Ca 0.13 1.32 -0.24 0.00 0.04 0.00 0.00 61.00 62.25 3iwe s PRO 140 Cb 0.07 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.53 3iwe s PRO 140 CO -0.06 -1.00 1.14 -0.25 0.04 0.00 0.00 177.00 176.87 3iwe n ASP 141 N -2.13 1.83 -4.70 6.66 8.00 -1.26 -4.96 116.55 119.99 3iwe n ASP 141 Ca 0.10 1.03 -0.42 0.00 0.71 0.00 0.00 54.79 56.21 3iwe n ASP 141 Cb 0.52 -1.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.16 3iwe n ASP 141 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iwe s LYS 142 N -2.25 4.39 0.00 -1.24 -0.14 -1.26 -4.92 119.74 114.33 3iwe s LYS 142 Ca 0.64 1.77 0.14 0.00 -1.36 0.00 0.00 55.97 57.16 3iwe s LYS 142 Cb -0.51 -3.42 0.06 0.00 -1.68 0.00 0.00 37.83 32.28 3iwe s LYS 142 CO 0.55 -0.34 0.88 -0.40 -0.76 0.00 0.00 175.35 175.28 3iwe n ASP 143 N 4.41 1.90 -3.17 2.83 5.68 -1.26 -4.73 116.55 122.21 3iwe n ASP 143 Ca 0.10 -1.45 -0.20 0.00 -0.50 0.00 0.00 54.79 52.74 3iwe n ASP 143 Cb 0.46 0.20 -0.06 0.00 -1.14 0.00 0.00 41.12 40.58 3iwe n ASP 143 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3iwe n ASN 144 N 0.39 -1.32 -4.74 -1.12 0.23 -1.26 -5.14 115.26 102.30 3iwe n ASN 144 Ca 0.07 -2.60 -0.41 0.00 -0.53 0.00 0.00 54.58 51.10 3iwe n ASN 144 Cb 0.33 0.17 -0.02 0.00 -2.08 0.00 0.00 39.78 38.18 3iwe n ASN 144 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3iwe s ILE 145 N 0.15 2.77 -0.20 1.53 1.09 -1.26 -4.90 121.20 120.38 3iwe s ILE 145 Ca 0.32 0.64 -0.39 0.00 -1.10 0.00 0.00 60.65 60.13 3iwe s ILE 145 Cb 0.06 -3.41 -0.16 0.00 -1.06 0.00 0.00 42.46 37.89 3iwe s ILE 145 CO -0.15 0.10 1.67 -1.14 -0.10 0.00 0.00 174.94 175.32 3iwe n ARG 146 N 2.38 1.19 0.11 2.79 0.63 -1.26 -4.88 116.66 117.62 3iwe n ARG 146 Ca 0.07 0.43 0.05 0.00 -0.92 0.00 0.00 57.85 57.48 3iwe n ARG 146 Cb 0.41 -2.11 0.01 0.00 0.45 0.00 0.00 32.46 31.21 3iwe n ARG 146 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3iwe h GLN 147 N 6.74 0.00 -6.03 -0.14 4.20 -2.00 -3.46 115.11 114.42 3iwe h GLN 147 Ca -0.47 0.00 -0.59 0.00 0.06 0.00 0.00 58.65 57.66 3iwe h GLN 147 Cb 1.32 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.04 3iwe h GLN 147 CO 0.92 0.27 -0.11 -1.21 -0.67 0.00 0.00 178.83 178.03 3iwe s GLU 148 N -3.06 4.14 0.64 1.46 8.01 -1.26 -5.06 118.70 123.57 3iwe s GLU 148 Ca 0.01 0.56 -0.18 0.00 0.01 0.00 0.00 54.97 55.38 3iwe s GLU 148 Cb 0.08 -3.29 -0.01 0.00 -4.31 0.00 0.00 34.13 26.60 3iwe s GLU 148 CO 0.76 0.53 1.27 -2.14 0.01 0.00 0.00 175.26 175.69 3iwe s PRO 149 N -0.63 2.62 0.70 0.39 0.02 -1.26 -4.99 135.00 131.86 3iwe s PRO 149 Ca 0.27 1.99 -0.15 0.00 0.02 0.00 0.00 61.00 63.13 3iwe s PRO 149 Cb -0.17 -1.86 0.02 0.00 0.02 0.00 0.00 34.50 32.50 3iwe s PRO 149 CO 0.15 -1.52 1.15 0.71 -0.33 0.00 0.00 177.00 177.15 3iwe s TYR 150 N -1.48 2.37 -0.17 6.54 1.51 -1.26 -4.98 117.35 119.88 3iwe s TYR 150 Ca 0.81 1.58 -0.26 0.00 -1.01 0.00 0.00 57.07 58.19 3iwe s TYR 150 Cb -0.35 -3.29 -0.01 0.00 -0.11 0.00 0.00 41.96 38.20 3iwe s TYR 150 CO 0.38 -2.08 0.88 0.99 -1.11 0.00 0.00 175.55 174.61 3iwe s THR 151 N -2.23 4.84 0.54 -0.71 2.01 -1.26 -5.02 115.64 113.81 3iwe s THR 151 Ca 0.70 1.73 -0.10 0.00 0.31 0.00 0.00 61.69 64.33 3iwe s THR 151 Cb -0.24 -4.18 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 3iwe s THR 151 CO 0.44 -0.01 0.92 -0.76 -0.69 0.00 0.00 174.62 174.52 3iwe s LEU 152 N 2.30 3.46 0.42 4.42 1.43 -1.26 -5.00 118.68 124.45 3iwe s LEU 152 Ca 0.40 1.26 -0.23 0.00 -1.03 0.00 0.00 54.13 54.52 3iwe s LEU 152 Cb -0.17 -4.25 -0.11 0.00 0.03 0.00 0.00 46.19 41.70 3iwe s LEU 152 CO 0.12 -0.70 0.81 -2.65 0.23 0.00 0.00 176.35 174.16 3iwe n PRO 153 N -2.32 0.98 -1.57 1.29 -0.02 -1.26 -4.84 135.00 127.26 3iwe n PRO 153 Ca 0.04 0.36 -0.50 0.00 -2.02 0.00 0.00 63.50 61.37 3iwe n PRO 153 Cb 0.54 -1.80 -0.05 0.00 -0.02 0.00 0.00 33.50 32.17 3iwe n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iwe n GLN 154 N 0.30 1.05 -0.06 -0.52 0.00 -1.26 -2.56 117.38 114.34 3iwe n GLN 154 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 57.00 57.48 3iwe n GLN 154 Cb 0.39 -1.91 0.00 0.00 0.00 0.00 0.00 30.24 28.72 3iwe n GLN 154 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iwe n GLY 155 N 2.15 0.50 3.26 2.61 0.00 -1.26 -5.08 105.19 107.36 3iwe n GLY 155 Ca 0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 3iwe n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwe s PHE 156 N -2.13 1.48 0.02 1.61 0.40 -1.06 -0.74 117.98 117.56 3iwe s PHE 156 Ca 0.00 -0.54 -0.15 0.00 -0.60 0.00 0.00 56.93 55.64 3iwe s PHE 156 Cb 0.00 -0.77 0.02 0.00 0.51 0.00 0.00 43.02 42.79 3iwe s PHE 156 CO 0.00 0.18 0.32 -0.08 0.70 0.00 0.00 175.22 176.34 3iwe s THR 157 N -2.15 0.07 0.53 0.64 -1.32 -0.23 -4.74 115.64 108.43 3iwe s THR 157 Ca 0.10 -0.57 -0.19 0.00 -1.21 0.00 0.00 61.69 59.82 3iwe s THR 157 Cb -0.05 -0.82 -0.07 0.00 -1.51 0.00 0.00 72.50 70.06 3iwe s THR 157 CO 0.04 -0.32 1.07 0.26 -2.21 0.00 0.00 174.62 173.46 3iwe s TRP 158 N -2.05 2.89 -0.28 9.09 0.52 -1.26 -0.93 118.94 126.92 3iwe s TRP 158 Ca -0.08 1.56 -0.06 0.00 0.02 0.00 0.00 56.10 57.53 3iwe s TRP 158 Cb -0.02 -3.12 0.14 0.00 -1.15 0.00 0.00 33.47 29.32 3iwe s TRP 158 CO -0.00 -1.11 0.57 0.34 0.02 0.00 0.00 176.95 176.77 3iwe s ASP 159 N -2.09 -0.94 0.16 2.95 2.15 -0.59 -4.83 116.67 113.47 3iwe s ASP 159 Ca 0.68 1.16 -0.30 0.00 0.43 0.00 0.00 52.55 54.52 3iwe s ASP 159 Cb -0.18 2.00 -0.08 0.00 -0.30 0.00 0.00 42.92 44.36 3iwe s ASP 159 CO 0.26 -0.24 1.32 0.00 -0.17 0.00 0.00 175.17 176.34 3iwe s ALA 160 N 2.81 3.53 -0.34 3.66 0.00 -1.26 -1.10 121.76 129.07 3iwe s ALA 160 Ca 0.04 1.08 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 3iwe s ALA 160 Cb -0.13 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 3iwe s ALA 160 CO -0.18 -0.55 0.36 -0.51 0.00 0.00 0.00 175.76 174.88 3iwe s LEU 161 N 0.40 4.41 -0.69 0.00 1.43 -0.19 -4.91 118.68 119.11 3iwe s LEU 161 Ca 0.59 -0.20 -0.26 0.00 -1.03 0.00 0.00 54.13 53.23 3iwe s LEU 161 Cb -0.36 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.56 3iwe s LEU 161 CO 0.35 -0.32 1.20 -0.62 0.23 0.00 0.00 176.35 177.19 3iwe s ASP 162 N 1.73 6.22 0.01 2.29 2.15 -1.26 -4.80 116.67 123.01 3iwe s ASP 162 Ca 0.12 -0.42 0.22 0.00 0.43 0.00 0.00 52.55 52.90 3iwe s ASP 162 Cb -0.16 -2.53 0.95 0.00 -0.30 0.00 0.00 42.92 40.87 3iwe s ASP 162 CO 0.11 -1.69 1.71 0.18 -0.17 0.00 0.00 175.17 175.32 3iwe n LEU 163 N 8.89 0.03 0.22 -1.34 4.77 -1.26 -1.80 117.00 126.51 3iwe n LEU 163 Ca 0.03 0.50 0.15 0.00 -0.03 0.00 0.00 56.01 56.66 3iwe n LEU 163 Cb 0.48 -0.50 0.49 0.00 -2.33 0.00 0.00 43.42 41.57 3iwe n LEU 163 CO 0.70 -0.13 0.91 1.23 -1.33 0.00 0.00 177.39 178.77 3iwe h GLY 164 N 3.81 0.00 -6.93 -0.72 0.00 -2.00 -3.42 103.07 93.82 3iwe h GLY 164 Ca 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 3iwe h GLY 164 CO 0.00 0.00 0.59 -0.35 0.00 0.00 0.00 176.54 176.78 3iwe s ASP 165 N -5.41 6.49 0.21 0.19 3.68 -0.74 -4.96 116.67 116.12 3iwe s ASP 165 Ca 0.04 0.08 -0.10 0.00 2.13 0.00 0.00 52.55 54.71 3iwe s ASP 165 Cb 0.08 -2.45 0.30 0.00 -1.45 0.00 0.00 42.92 39.40 3iwe s ASP 165 CO 0.55 -1.08 1.69 -0.09 0.13 0.00 0.00 175.17 176.38 3iwe h ARG 166 N 9.11 0.20 -0.93 4.34 9.65 -1.85 -0.74 114.38 134.17 3iwe h ARG 166 Ca -0.24 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.65 3iwe h ARG 166 Cb 1.07 -0.05 -0.05 0.00 -1.39 0.00 0.00 29.97 29.56 3iwe h ARG 166 CO 1.04 0.14 0.61 0.78 2.80 0.00 0.00 179.97 185.34 3iwe h GLY 167 N 0.21 1.33 0.92 2.80 0.00 -1.93 0.74 103.07 107.15 3iwe h GLY 167 Ca 0.32 -0.48 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 3iwe h GLY 167 CO -0.45 0.44 -0.25 -2.08 0.00 0.00 0.00 176.54 174.21 3iwe h VAL 168 N 1.23 1.31 -0.83 4.60 2.07 -1.60 -1.28 116.25 121.75 3iwe h VAL 168 Ca 0.35 -1.41 0.06 0.00 0.82 0.00 0.00 66.70 66.52 3iwe h VAL 168 Cb -0.08 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 3iwe h VAL 168 CO -0.09 0.45 0.50 0.25 0.02 0.00 0.00 177.57 178.70 3iwe h LEU 169 N 0.35 0.78 -1.13 2.57 5.85 -0.84 -1.18 115.31 121.72 3iwe h LEU 169 Ca 0.04 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3iwe h LEU 169 Cb 0.81 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3iwe h LEU 169 CO 0.06 0.50 -0.05 0.11 -0.34 0.00 0.00 178.44 178.72 3iwe h LYS 170 N 0.91 0.55 -0.52 1.25 1.79 -0.65 0.14 116.57 120.04 3iwe h LYS 170 Ca 0.36 -0.14 -0.02 0.00 -2.18 0.00 0.00 60.65 58.68 3iwe h LYS 170 Cb 0.19 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3iwe h LYS 170 CO -0.18 0.61 0.26 0.93 -1.08 0.00 0.00 179.45 180.00 3iwe h GLU 171 N 0.52 0.74 -0.20 3.15 5.08 -0.38 -0.59 114.58 122.91 3iwe h GLU 171 Ca 0.10 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3iwe h GLU 171 Cb 0.41 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3iwe h GLU 171 CO 0.02 0.60 0.07 1.25 -1.00 0.00 0.00 179.01 179.95 3iwe h LEU 172 N 0.70 0.29 -0.61 1.33 5.85 -0.88 -1.47 115.31 120.52 3iwe h LEU 172 Ca 0.18 -0.19 0.12 0.00 0.84 0.00 0.00 57.88 58.83 3iwe h LEU 172 Cb 0.10 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 3iwe h LEU 172 CO -0.02 0.40 0.08 0.22 -0.34 0.00 0.00 178.44 178.78 3iwe h TYR 173 N 0.16 0.12 -0.30 1.25 3.20 -0.79 -1.20 116.97 119.41 3iwe h TYR 173 Ca 0.07 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3iwe h TYR 173 Cb 0.21 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 3iwe h TYR 173 CO -0.00 -0.08 0.10 1.15 -1.64 0.00 0.00 178.16 177.68 3iwe h THR 174 N 0.20 1.20 -0.30 1.81 2.02 -0.91 0.20 112.91 117.13 3iwe h THR 174 Ca 0.32 -0.63 0.05 0.00 0.77 0.00 0.00 66.41 66.92 3iwe h THR 174 Cb 0.50 1.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.92 3iwe h THR 174 CO -0.45 0.21 0.02 0.25 0.37 0.00 0.00 175.52 175.92 3iwe h LEU 175 N 0.32 -0.09 -0.22 2.58 5.85 -0.68 -1.66 115.31 121.41 3iwe h LEU 175 Ca 0.10 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 3iwe h LEU 175 Cb 0.23 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 3iwe h LEU 175 CO -0.00 -0.01 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.77 3iwe h LEU 176 N 0.11 0.60 -1.61 2.25 3.38 -1.10 -0.24 115.31 118.70 3iwe h LEU 176 Ca 0.15 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 57.73 3iwe h LEU 176 Cb 0.19 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 3iwe h LEU 176 CO -0.23 0.97 0.43 -1.13 0.09 0.00 0.00 178.44 178.57 3iwe h ASN 177 N 0.25 0.38 0.37 -0.43 -0.73 -0.44 -1.03 115.58 113.95 3iwe h ASN 177 Ca 0.03 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.18 3iwe h ASN 177 Cb 0.81 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.33 3iwe h ASN 177 CO 0.06 0.23 -1.65 -0.62 -0.37 0.00 0.00 177.43 175.07 3iwe n GLU 178 N -4.47 0.64 0.00 6.67 1.02 -0.64 -4.71 120.64 119.15 3iwe n GLU 178 Ca 0.11 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 3iwe n GLU 178 Cb 0.40 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3iwe n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iwe n ASN 179 N -2.46 0.25 -1.98 1.62 3.02 -0.11 -4.91 115.26 110.69 3iwe n ASN 179 Ca -0.04 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 3iwe n ASN 179 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 3iwe n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iwe n TYR 180 N -0.04 -0.04 -1.76 3.10 9.36 -0.41 -4.69 117.16 122.68 3iwe n TYR 180 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 3iwe n TYR 180 Cb 0.31 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.99 3iwe n TYR 180 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3iwe s VAL 181 N 0.67 2.25 0.26 2.97 1.01 -1.26 -4.80 120.40 121.49 3iwe s VAL 181 Ca 0.00 0.09 0.10 0.00 0.00 0.00 0.00 61.98 62.17 3iwe s VAL 181 Cb 0.00 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.28 3iwe s VAL 181 CO 0.00 0.01 -0.03 -1.61 0.00 0.00 0.00 175.10 173.47 3iwe s GLU 182 N 1.58 2.23 0.94 2.72 2.02 -1.26 -1.91 118.70 125.02 3iwe s GLU 182 Ca 0.76 -1.42 -0.12 0.00 0.02 0.00 0.00 54.97 54.21 3iwe s GLU 182 Cb -0.48 -2.14 0.16 0.00 0.10 0.00 0.00 34.13 31.77 3iwe s GLU 182 CO 0.33 0.37 1.10 0.16 0.02 0.00 0.00 175.26 177.24 3iwe s ASP 183 N -3.55 3.11 0.52 -0.19 -4.77 -0.77 -4.92 116.67 106.09 3iwe s ASP 183 Ca 0.31 1.24 0.17 0.00 -3.30 0.00 0.00 52.55 50.97 3iwe s ASP 183 Cb -0.07 -1.91 1.29 0.00 -1.09 0.00 0.00 42.92 41.15 3iwe s ASP 183 CO 0.19 -2.83 2.13 0.44 0.70 0.00 0.00 175.17 175.80 3iwe h ASP 184 N -1.69 0.00 -0.08 2.11 3.32 -1.97 -2.10 116.42 116.01 3iwe h ASP 184 Ca -0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.53 3iwe h ASP 184 Cb 1.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3iwe h ASP 184 CO 0.58 0.00 0.00 0.47 -1.72 0.00 0.00 179.24 178.57 3iwe n ASP 185 N -4.51 1.02 -3.84 6.45 10.43 -1.26 -4.94 116.55 119.90 3iwe n ASP 185 Ca -0.02 -1.53 -0.26 0.00 2.57 0.00 0.00 54.79 55.56 3iwe n ASP 185 Cb 0.15 -0.05 0.02 0.00 1.84 0.00 0.00 41.12 43.08 3iwe n ASP 185 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 3iwe n ASN 186 N -0.14 -2.66 -0.03 -2.24 4.13 -0.79 -4.91 115.26 108.63 3iwe n ASN 186 Ca 0.17 -0.83 -0.01 0.00 1.68 0.00 0.00 54.58 55.59 3iwe n ASN 186 Cb 0.24 -3.83 -0.06 0.00 -1.54 0.00 0.00 39.78 34.59 3iwe n ASN 186 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3iwe n MET 187 N -4.47 1.88 -4.32 3.52 2.81 -1.26 -4.82 117.12 110.46 3iwe n MET 187 Ca -0.15 -0.03 -0.18 0.00 -1.81 0.00 0.00 57.70 55.53 3iwe n MET 187 Cb 0.61 -1.19 -0.15 0.00 -0.71 0.00 0.00 33.22 31.78 3iwe n MET 187 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3iwe s PHE 188 N -2.32 0.74 -0.03 2.03 0.08 -1.26 -0.75 117.98 116.47 3iwe s PHE 188 Ca -0.03 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 56.90 3iwe s PHE 188 Cb 0.03 -0.48 0.01 0.00 -0.57 0.00 0.00 43.02 42.00 3iwe s PHE 188 CO 0.32 -0.02 -0.09 0.50 -0.10 0.00 0.00 175.22 175.83 3iwe s ARG 189 N -0.14 1.05 0.29 0.44 3.52 -1.00 -1.86 118.95 121.25 3iwe s ARG 189 Ca 0.02 -0.31 -0.29 0.00 -0.13 0.00 0.00 55.73 55.03 3iwe s ARG 189 Cb -0.04 -0.97 -0.13 0.00 -1.56 0.00 0.00 34.95 32.25 3iwe s ARG 189 CO -0.00 0.09 1.18 1.19 -0.81 0.00 0.00 175.30 176.95 3iwe n PHE 190 N 3.40 1.75 -3.35 5.12 0.99 -0.80 0.01 117.46 124.59 3iwe n PHE 190 Ca -0.19 0.61 -0.26 0.00 -0.00 0.00 0.00 57.45 57.60 3iwe n PHE 190 Cb 0.54 -2.34 -0.08 0.00 -1.00 0.00 0.00 39.48 36.60 3iwe n PHE 190 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3iwe n ASP 191 N 1.30 2.64 -4.72 4.37 2.03 -0.12 -4.54 116.55 117.51 3iwe n ASP 191 Ca 0.09 -3.21 -0.42 0.00 0.52 0.00 0.00 54.79 51.77 3iwe n ASP 191 Cb 0.33 -0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 3iwe n ASP 191 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3iwe s TYR 192 N -2.07 2.89 0.64 -0.67 1.51 -1.26 -4.31 117.35 114.08 3iwe s TYR 192 Ca 0.38 0.36 -0.12 0.00 -1.01 0.00 0.00 57.07 56.68 3iwe s TYR 192 Cb 0.16 -4.12 -0.02 0.00 -0.11 0.00 0.00 41.96 37.87 3iwe s TYR 192 CO -0.04 -4.25 1.05 -1.54 -1.11 0.00 0.00 175.55 169.66 3iwe s SER 193 N 1.24 5.72 0.26 2.29 1.04 -1.26 -4.89 113.70 118.10 3iwe s SER 193 Ca 0.75 1.63 -0.02 0.00 0.48 0.00 0.00 55.95 58.78 3iwe s SER 193 Cb -0.49 -2.50 0.42 0.00 0.10 0.00 0.00 66.02 63.55 3iwe s SER 193 CO 0.32 -1.21 1.87 -0.65 0.98 0.00 0.00 173.24 174.54 3iwe h PRO 194 N -0.25 1.07 -0.49 4.02 0.11 -1.94 -1.00 132.00 133.51 3iwe h PRO 194 Ca -0.45 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.47 3iwe h PRO 194 Cb 1.21 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3iwe h PRO 194 CO 0.58 0.71 -0.19 0.93 -0.21 0.00 0.00 178.00 179.82 3iwe h GLU 195 N 1.10 0.99 -0.60 1.05 3.07 -1.99 -1.98 114.58 116.21 3iwe h GLU 195 Ca 0.43 -0.40 0.02 0.00 -0.50 0.00 0.00 59.36 58.91 3iwe h GLU 195 Cb 0.23 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.07 3iwe h GLU 195 CO -0.19 1.08 0.38 0.35 -1.40 0.00 0.00 179.01 179.23 3iwe h PHE 196 N 0.86 0.72 -0.88 4.33 3.57 -1.82 -2.19 116.94 121.53 3iwe h PHE 196 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3iwe h PHE 196 Cb 0.76 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 39.21 3iwe h PHE 196 CO 0.05 0.43 0.58 -0.07 -2.23 0.00 0.00 178.31 177.07 3iwe h LEU 197 N 0.77 0.98 -0.77 0.59 3.38 -0.80 0.01 115.31 119.46 3iwe h LEU 197 Ca 0.23 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3iwe h LEU 197 Cb -0.03 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 3iwe h LEU 197 CO -0.08 0.69 0.46 -0.07 0.09 0.00 0.00 178.44 179.53 3iwe h LEU 198 N 1.15 0.93 -0.12 1.67 3.38 -1.14 0.49 115.31 121.66 3iwe h LEU 198 Ca 0.34 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.25 3iwe h LEU 198 Cb -0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3iwe h LEU 198 CO -0.09 0.72 0.04 -0.25 0.09 0.00 0.00 178.44 178.95 3iwe h TRP 199 N 1.05 0.08 -0.00 1.13 7.01 -0.72 -0.34 115.95 124.15 3iwe h TRP 199 Ca 0.28 0.01 -0.16 0.00 2.11 0.00 0.00 58.89 61.13 3iwe h TRP 199 Cb -0.04 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 26.99 3iwe h TRP 199 CO -0.01 0.04 -0.73 0.00 -2.79 0.00 0.00 178.44 174.96 3iwe h ALA 200 N 1.07 0.78 0.00 2.65 0.00 -0.79 -3.34 119.26 119.64 3iwe h ALA 200 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3iwe h ALA 200 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3iwe h ALA 200 CO -0.05 0.89 -1.06 1.28 0.00 0.00 0.00 179.25 180.31 3iwe n LEU 201 N -3.69 0.58 -2.58 0.00 4.77 0.14 -4.57 117.00 111.65 3iwe n LEU 201 Ca -0.01 -0.37 -0.26 0.00 -0.03 0.00 0.00 56.01 55.34 3iwe n LEU 201 Cb 0.71 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.79 3iwe n LEU 201 CO 0.44 0.14 0.17 0.54 -1.33 0.00 0.00 177.39 177.35 3iwe n ARG 202 N -1.58 3.30 -1.56 3.23 1.74 -0.14 -4.83 116.66 116.81 3iwe n ARG 202 Ca 0.01 -4.53 -0.29 0.00 -0.77 0.00 0.00 57.85 52.27 3iwe n ARG 202 Cb 0.31 -2.21 0.17 0.00 -1.02 0.00 0.00 32.46 29.71 3iwe n ARG 202 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iwe s PRO 203 N -3.51 0.53 -0.08 5.56 0.04 -1.26 -4.87 135.00 131.42 3iwe s PRO 203 Ca 0.47 0.01 -0.38 0.00 0.04 0.00 0.00 61.00 61.14 3iwe s PRO 203 Cb 0.38 -1.79 -0.16 0.00 0.04 0.00 0.00 34.50 32.96 3iwe s PRO 203 CO -0.17 -2.56 1.52 -2.30 0.04 0.00 0.00 177.00 173.53 3iwe n PRO 204 N -3.96 1.12 -0.47 0.56 -0.02 -1.26 -1.76 135.00 129.20 3iwe n PRO 204 Ca 0.10 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 3iwe n PRO 204 Cb 0.59 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3iwe n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iwe n GLY 205 N 3.25 0.75 3.73 -1.23 0.00 -1.26 -4.76 105.19 105.68 3iwe n GLY 205 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 3iwe n GLY 205 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3iwe s TRP 206 N -2.35 2.11 -0.02 1.61 1.48 -0.72 -4.66 118.94 116.38 3iwe s TRP 206 Ca 0.00 1.46 0.04 0.00 -1.06 0.00 0.00 56.10 56.54 3iwe s TRP 206 Cb 0.00 -3.73 -0.01 0.00 -1.16 0.00 0.00 33.47 28.58 3iwe s TRP 206 CO 0.00 -2.95 -0.14 -0.51 -4.06 0.00 0.00 176.95 169.28 3iwe s LEU 207 N -4.21 1.95 0.31 -4.66 1.43 -1.26 -5.05 118.68 107.19 3iwe s LEU 207 Ca 0.81 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 3iwe s LEU 207 Cb -0.38 -0.78 0.49 0.00 0.03 0.00 0.00 46.19 45.54 3iwe s LEU 207 CO 0.42 0.15 1.83 1.55 0.23 0.00 0.00 176.35 180.53 3iwe h PRO 208 N 6.03 0.63 0.00 1.29 0.13 -1.95 -2.24 132.00 135.90 3iwe h PRO 208 Ca -0.34 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3iwe h PRO 208 Cb 1.17 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3iwe h PRO 208 CO 0.48 0.65 0.00 -0.56 -0.23 0.00 0.00 178.00 178.35 3iwe h GLN 209 N 0.60 0.00 -0.14 0.86 -0.00 -1.97 -2.33 115.11 112.13 3iwe h GLN 209 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 3iwe h GLN 209 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 3iwe h GLN 209 CO 0.01 0.00 0.00 0.91 -0.00 0.00 0.00 178.83 179.75 3iwe n TRP 210 N -2.35 0.17 -3.35 0.06 8.01 -0.84 -4.39 117.44 114.75 3iwe n TRP 210 Ca 0.01 -0.08 -0.45 0.00 -1.31 0.00 0.00 57.50 55.66 3iwe n TRP 210 Cb 0.21 0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 29.49 3iwe n TRP 210 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 3iwe s HIS 211 N -1.83 4.00 -0.49 -5.99 3.76 -0.88 -1.32 115.29 112.54 3iwe s HIS 211 Ca 0.34 -2.37 -0.16 0.00 -0.15 0.00 0.00 55.06 52.73 3iwe s HIS 211 Cb 0.19 -3.80 0.09 0.00 1.11 0.00 0.00 32.58 30.17 3iwe s HIS 211 CO 0.29 -0.96 0.43 0.00 -0.85 0.00 0.00 174.74 173.66 3iwe s GLY 213 N 2.85 1.39 -0.07 0.00 0.00 -0.25 -1.39 107.32 109.84 3iwe s GLY 213 Ca 0.04 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.58 3iwe s GLY 213 CO 0.06 -1.15 -0.12 0.14 0.00 0.00 0.00 173.10 172.03 3iwe s VAL 214 N -2.18 1.18 0.14 1.40 1.01 -0.19 -1.55 120.40 120.22 3iwe s VAL 214 Ca 0.40 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.99 3iwe s VAL 214 Cb -0.09 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3iwe s VAL 214 CO 0.32 0.37 -0.24 -0.13 0.00 0.00 0.00 175.10 175.42 3iwe s ARG 215 N 0.76 1.35 0.21 2.72 0.52 -0.11 -0.70 118.95 123.70 3iwe s ARG 215 Ca -0.13 -1.36 -0.31 0.00 -0.52 0.00 0.00 55.73 53.42 3iwe s ARG 215 Cb -0.16 -1.70 -0.10 0.00 0.52 0.00 0.00 34.95 33.52 3iwe s ARG 215 CO 0.03 0.39 1.48 0.08 0.02 0.00 0.00 175.30 177.29 3iwe s VAL 216 N -1.35 2.68 0.11 3.52 1.01 -0.23 -1.07 120.40 125.06 3iwe s VAL 216 Ca 0.14 0.53 -0.21 0.00 0.00 0.00 0.00 61.98 62.44 3iwe s VAL 216 Cb -0.09 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 3iwe s VAL 216 CO 0.07 0.07 1.74 0.58 0.00 0.00 0.00 175.10 177.55 3iwe h VAL 217 N 3.74 0.95 -0.04 2.92 2.07 -1.26 0.11 116.25 124.75 3iwe h VAL 217 Ca -0.45 -0.03 -0.10 0.00 0.82 0.00 0.00 66.70 66.95 3iwe h VAL 217 Cb 1.21 0.87 0.01 0.00 -1.52 0.00 0.00 31.29 31.85 3iwe h VAL 217 CO 0.83 0.01 -0.36 0.77 0.02 0.00 0.00 177.57 178.85 3iwe h SER 218 N 0.08 0.39 0.39 0.57 4.64 -1.92 -3.34 113.55 114.35 3iwe h SER 218 Ca 0.05 -0.69 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3iwe h SER 218 Cb 0.04 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3iwe h SER 218 CO -0.07 1.02 -1.34 -1.54 -0.87 0.00 0.00 176.83 174.04 3iwe n SER 219 N -4.40 0.49 -0.31 4.97 3.41 -1.24 -4.97 113.62 111.57 3iwe n SER 219 Ca -0.09 -0.08 -0.04 0.00 -0.26 0.00 0.00 58.87 58.40 3iwe n SER 219 Cb 0.53 1.12 -0.02 0.00 -0.26 0.00 0.00 64.21 65.59 3iwe n SER 219 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iwe n ARG 220 N -2.18 -1.37 -1.74 4.33 5.12 0.40 -4.97 116.66 116.24 3iwe n ARG 220 Ca -0.00 0.55 -0.42 0.00 -1.93 0.00 0.00 57.85 56.05 3iwe n ARG 220 Cb 0.50 -4.67 -0.03 0.00 -1.16 0.00 0.00 32.46 27.10 3iwe n ARG 220 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 3iwe s LYS 221 N -1.96 4.12 -0.22 5.56 2.20 -1.25 -4.58 119.74 123.61 3iwe s LYS 221 Ca 0.00 2.60 -0.29 0.00 -0.36 0.00 0.00 55.97 57.92 3iwe s LYS 221 Cb 0.00 -3.06 -0.01 0.00 -1.51 0.00 0.00 37.83 33.25 3iwe s LYS 221 CO 0.00 -0.72 1.40 -1.17 -0.36 0.00 0.00 175.35 174.50 3iwe s LEU 222 N 0.70 4.01 0.00 5.43 2.96 -1.26 -1.07 118.68 129.44 3iwe s LEU 222 Ca 0.72 1.54 0.00 0.00 -0.22 0.00 0.00 54.13 56.16 3iwe s LEU 222 Cb -0.49 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.66 3iwe s LEU 222 CO 0.37 -1.02 0.40 1.33 -1.32 0.00 0.00 176.35 176.11 3iwe n VAL 223 N 5.96 0.01 -3.56 1.68 0.24 0.12 -4.87 118.33 117.90 3iwe n VAL 223 Ca 0.16 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.92 3iwe n VAL 223 Cb 0.45 1.20 -0.05 0.00 -1.47 0.00 0.00 33.84 33.98 3iwe n VAL 223 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iwe s GLY 224 N -0.01 -0.44 -0.05 7.63 0.00 -0.91 -0.74 107.32 112.79 3iwe s GLY 224 Ca 0.00 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.03 3iwe s GLY 224 CO 0.00 0.30 0.64 -0.12 0.00 0.00 0.00 173.10 173.92 3iwe s PHE 225 N -2.53 -0.61 -0.06 1.90 5.36 -0.24 -1.02 117.98 120.77 3iwe s PHE 225 Ca -0.05 1.04 -0.20 0.00 -0.96 0.00 0.00 56.93 56.76 3iwe s PHE 225 Cb -0.01 0.38 0.04 0.00 -0.34 0.00 0.00 43.02 43.09 3iwe s PHE 225 CO -0.02 -0.58 0.46 -1.50 -1.46 0.00 0.00 175.22 172.11 3iwe s ILE 226 N -1.19 0.03 0.08 3.12 2.07 -0.49 -1.12 121.20 123.70 3iwe s ILE 226 Ca -0.11 -0.23 0.04 0.00 -1.41 0.00 0.00 60.65 58.94 3iwe s ILE 226 Cb -0.01 -0.74 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 3iwe s ILE 226 CO 0.09 -0.13 -0.12 -0.94 -1.91 0.00 0.00 174.94 171.94 3iwe s SER 227 N -0.93 1.54 -0.02 4.50 1.04 -0.73 -1.23 113.70 117.87 3iwe s SER 227 Ca -0.10 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 55.67 3iwe s SER 227 Cb -0.03 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 66.06 3iwe s SER 227 CO 0.05 -0.17 -0.16 0.00 0.98 0.00 0.00 173.24 173.94 3iwe s ALA 228 N -1.85 1.35 0.07 5.32 0.00 -0.43 -2.41 121.76 123.81 3iwe s ALA 228 Ca 0.01 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.35 3iwe s ALA 228 Cb -0.07 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 3iwe s ALA 228 CO 0.01 0.32 -0.18 0.96 0.00 0.00 0.00 175.76 176.88 3iwe s ILE 229 N -0.33 1.41 0.41 0.00 -4.36 -0.80 -4.73 121.20 112.81 3iwe s ILE 229 Ca 0.05 -1.29 -0.24 0.00 -0.26 0.00 0.00 60.65 58.92 3iwe s ILE 229 Cb -0.07 -1.28 -0.09 0.00 1.25 0.00 0.00 42.46 42.27 3iwe s ILE 229 CO -0.00 -0.03 1.04 -2.16 0.24 0.00 0.00 174.94 174.02 3iwe s PRO 230 N -1.54 4.14 -0.21 0.37 0.04 -1.26 -0.50 135.00 136.04 3iwe s PRO 230 Ca 0.03 1.48 -0.16 0.00 0.04 0.00 0.00 61.00 62.40 3iwe s PRO 230 Cb -0.09 -2.49 0.06 0.00 0.04 0.00 0.00 34.50 32.01 3iwe s PRO 230 CO 0.03 -0.16 0.54 0.00 0.04 0.00 0.00 177.00 177.45 3iwe s ALA 231 N -1.70 -1.39 -0.05 8.56 0.00 -0.44 -4.80 121.76 121.94 3iwe s ALA 231 Ca 0.59 1.74 -0.27 0.00 0.00 0.00 0.00 51.96 54.02 3iwe s ALA 231 Cb -0.21 -1.03 -0.03 0.00 0.00 0.00 0.00 23.12 21.85 3iwe s ALA 231 CO 0.26 -0.29 0.84 -0.80 0.00 0.00 0.00 175.76 175.78 3iwe s ASN 232 N 0.88 7.16 -0.08 0.00 0.01 -1.26 -0.64 114.94 121.01 3iwe s ASN 232 Ca -0.05 1.40 0.03 0.00 -0.71 0.00 0.00 52.86 53.54 3iwe s ASN 232 Cb -0.05 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.12 3iwe s ASN 232 CO -0.07 -0.22 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.49 3iwe s ILE 233 N 1.07 1.58 -0.33 0.60 -1.09 -0.15 -0.83 121.20 122.05 3iwe s ILE 233 Ca 0.44 -0.75 -0.14 0.00 -2.23 0.00 0.00 60.65 57.97 3iwe s ILE 233 Cb -0.19 -1.39 -0.02 0.00 -1.58 0.00 0.00 42.46 39.28 3iwe s ILE 233 CO 0.22 0.45 0.31 -2.28 -1.23 0.00 0.00 174.94 172.41 3iwe s HIS 234 N 0.42 3.22 -0.22 3.97 5.65 0.03 -1.05 115.29 127.30 3iwe s HIS 234 Ca -0.15 -0.02 0.01 0.00 0.25 0.00 0.00 55.06 55.16 3iwe s HIS 234 Cb -0.16 -2.57 0.05 0.00 -1.18 0.00 0.00 32.58 28.72 3iwe s HIS 234 CO 0.06 -0.36 -0.08 -1.50 -0.65 0.00 0.00 174.74 172.21 3iwe s ILE 235 N 1.91 1.61 0.00 0.89 1.10 0.56 -1.30 121.20 125.98 3iwe s ILE 235 Ca 0.10 -1.15 0.00 0.00 -0.51 0.00 0.00 60.65 59.09 3iwe s ILE 235 Cb -0.17 -1.79 0.00 0.00 0.15 0.00 0.00 42.46 40.66 3iwe s ILE 235 CO 0.11 0.02 0.00 -1.22 -2.11 0.00 0.00 174.94 171.74 3iwe n TYR 236 N 4.66 0.00 0.58 3.50 4.01 -0.04 -1.58 117.16 128.29 3iwe n TYR 236 Ca -0.13 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.67 3iwe n TYR 236 Cb 0.45 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.66 3iwe n TYR 236 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3iwe n ASP 237 N 4.48 2.42 -4.20 7.72 8.00 -1.26 -4.89 116.55 128.80 3iwe n ASP 237 Ca 0.00 -2.10 -0.28 0.00 0.71 0.00 0.00 54.79 53.13 3iwe n ASP 237 Cb 0.00 -0.33 -0.16 0.00 -0.02 0.00 0.00 41.12 40.61 3iwe n ASP 237 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3iwe s THR 238 N -1.56 1.64 -0.16 -3.53 2.01 -0.61 -5.12 115.64 108.31 3iwe s THR 238 Ca 0.27 -0.87 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 3iwe s THR 238 Cb 0.16 -1.38 -0.03 0.00 0.01 0.00 0.00 72.50 71.25 3iwe s THR 238 CO 0.16 0.47 -0.02 -0.70 -0.69 0.00 0.00 174.62 173.84 3iwe s GLU 239 N -0.30 3.73 -0.01 4.92 2.12 -1.26 -0.32 118.70 127.58 3iwe s GLU 239 Ca 0.03 -0.49 0.03 0.00 0.36 0.00 0.00 54.97 54.90 3iwe s GLU 239 Cb -0.10 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.31 3iwe s GLU 239 CO 0.01 0.24 -0.09 0.15 -0.54 0.00 0.00 175.26 175.03 3iwe s LYS 240 N 0.39 0.74 -0.07 4.30 -0.14 -0.21 -4.97 119.74 119.77 3iwe s LYS 240 Ca -0.03 -0.31 -0.30 0.00 -1.36 0.00 0.00 55.97 53.98 3iwe s LYS 240 Cb -0.14 -0.71 -0.04 0.00 -1.68 0.00 0.00 37.83 35.26 3iwe s LYS 240 CO 0.02 0.18 1.40 0.21 -0.76 0.00 0.00 175.35 176.40 3iwe s LYS 241 N -0.15 4.25 0.32 1.68 2.47 -1.26 -0.98 119.74 126.07 3iwe s LYS 241 Ca 0.02 1.89 0.04 0.00 -1.56 0.00 0.00 55.97 56.36 3iwe s LYS 241 Cb -0.04 -3.73 -0.01 0.00 -1.46 0.00 0.00 37.83 32.58 3iwe s LYS 241 CO -0.00 -0.67 0.13 -1.33 0.16 0.00 0.00 175.35 173.64 3iwe n MET 242 N 6.17 0.62 -4.42 4.03 2.81 0.18 -4.52 117.12 121.99 3iwe n MET 242 Ca 0.14 -2.78 -0.27 0.00 -1.81 0.00 0.00 57.70 52.98 3iwe n MET 242 Cb 0.44 1.59 -0.12 0.00 -0.71 0.00 0.00 33.22 34.42 3iwe n MET 242 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3iwe s VAL 243 N -2.82 2.33 -0.21 2.03 -7.23 -1.02 -1.33 120.40 112.15 3iwe s VAL 243 Ca 0.18 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.26 3iwe s VAL 243 Cb 0.01 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 3iwe s VAL 243 CO 0.13 -0.11 0.10 -1.61 -0.31 0.00 0.00 175.10 173.30 3iwe s GLU 244 N -2.63 3.98 -0.19 4.82 2.02 0.35 -0.99 118.70 126.06 3iwe s GLU 244 Ca 0.20 -0.33 -0.10 0.00 0.02 0.00 0.00 54.97 54.77 3iwe s GLU 244 Cb -0.08 -3.35 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 3iwe s GLU 244 CO 0.09 0.15 0.13 0.42 0.02 0.00 0.00 175.26 176.07 3iwe s ILE 245 N 0.74 5.37 0.22 -1.63 -1.09 -0.86 -1.90 121.20 122.05 3iwe s ILE 245 Ca 0.05 0.17 -0.13 0.00 -2.23 0.00 0.00 60.65 58.52 3iwe s ILE 245 Cb -0.13 -3.44 -0.00 0.00 -1.58 0.00 0.00 42.46 37.31 3iwe s ILE 245 CO 0.02 0.46 0.43 0.21 -1.23 0.00 0.00 174.94 174.83 3iwe s ASN 246 N 0.24 -0.09 -1.54 3.58 3.84 -1.01 -4.50 114.94 115.46 3iwe s ASN 246 Ca 0.08 -0.84 0.00 0.00 0.21 0.00 0.00 52.86 52.31 3iwe s ASN 246 Cb -0.11 0.55 0.00 0.00 -0.55 0.00 0.00 41.25 41.13 3iwe s ASN 246 CO -0.01 -1.06 0.00 0.49 -2.79 0.00 0.00 177.10 173.72 3iwe n PHE 247 N -0.33 -0.72 -1.89 0.43 3.01 -1.26 -1.77 117.46 114.92 3iwe n PHE 247 Ca -0.04 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.99 3iwe n PHE 247 Cb 0.62 -3.42 -0.03 0.00 -0.01 0.00 0.00 39.48 36.64 3iwe n PHE 247 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3iwe s LEU 248 N -4.88 4.37 -0.20 4.37 2.96 -1.26 -4.02 118.68 120.02 3iwe s LEU 248 Ca 0.00 2.50 -0.11 0.00 -0.22 0.00 0.00 54.13 56.29 3iwe s LEU 248 Cb 0.00 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.20 3iwe s LEU 248 CO 0.00 -0.92 0.48 0.00 -1.32 0.00 0.00 176.35 174.59 3iwe s VAL 250 N 1.40 1.78 0.31 0.00 1.01 -1.26 -1.08 120.40 122.56 3iwe s VAL 250 Ca -0.09 -0.88 -0.27 0.00 0.00 0.00 0.00 61.98 60.74 3iwe s VAL 250 Cb -0.07 -1.54 -0.14 0.00 0.00 0.00 0.00 36.38 34.64 3iwe s VAL 250 CO -0.14 0.50 0.95 1.57 0.00 0.00 0.00 175.10 177.98 3iwe n HIS 251 N 3.38 1.03 -0.32 5.22 -0.00 0.08 -4.79 115.22 119.82 3iwe n HIS 251 Ca -0.19 0.69 0.17 0.00 0.46 0.00 0.00 57.72 58.85 3iwe n HIS 251 Cb 0.53 -2.21 0.41 0.00 -0.12 0.00 0.00 29.99 28.60 3iwe n HIS 251 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3iwe h LYS 252 N 1.78 0.57 0.00 1.57 1.57 -1.91 0.77 116.57 120.92 3iwe h LYS 252 Ca -0.40 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3iwe h LYS 252 Cb 1.35 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3iwe h LYS 252 CO 0.59 0.38 0.00 1.63 -0.57 0.00 0.00 179.45 181.48 3iwe n LYS 253 N -4.68 0.05 -0.13 3.15 5.02 -1.26 -3.08 118.16 117.22 3iwe n LYS 253 Ca 0.23 0.16 0.05 0.00 -2.02 0.00 0.00 58.31 56.74 3iwe n LYS 253 Cb 0.68 -1.57 0.12 0.00 -0.02 0.00 0.00 35.03 34.25 3iwe n LYS 253 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3iwe n LEU 254 N -1.66 2.66 -4.77 -0.35 7.94 0.24 -5.04 117.00 116.03 3iwe n LEU 254 Ca 0.05 -1.78 -0.35 0.00 -1.11 0.00 0.00 56.01 52.83 3iwe n LEU 254 Cb 0.27 -0.17 0.02 0.00 0.53 0.00 0.00 43.42 44.08 3iwe n LEU 254 CO 0.22 0.64 0.79 -0.13 -1.11 0.00 0.00 177.39 177.79 3iwe s ARG 255 N -0.97 3.08 -1.59 1.96 1.81 -1.06 -3.52 118.95 118.66 3iwe s ARG 255 Ca 0.20 1.62 -0.01 0.00 -1.72 0.00 0.00 55.73 55.82 3iwe s ARG 255 Cb 0.11 -1.97 0.00 0.00 -0.45 0.00 0.00 34.95 32.64 3iwe s ARG 255 CO 0.15 -1.07 0.16 0.43 -0.68 0.00 0.00 175.30 174.29 3iwe n SER 256 N -1.68 -5.62 -0.41 0.23 7.64 -1.26 -4.89 113.62 107.62 3iwe n SER 256 Ca 0.12 -0.09 0.09 0.00 1.01 0.00 0.00 58.87 59.99 3iwe n SER 256 Cb 0.51 -4.60 0.18 0.00 -1.01 0.00 0.00 64.21 59.28 3iwe n SER 256 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iwe n LYS 257 N -3.12 2.12 -3.18 1.43 5.02 -1.23 -4.98 118.16 114.22 3iwe n LYS 257 Ca -0.19 -2.58 -0.23 0.00 -2.02 0.00 0.00 58.31 53.29 3iwe n LYS 257 Cb 0.66 -1.59 0.04 0.00 -0.02 0.00 0.00 35.03 34.12 3iwe n LYS 257 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iwe n ARG 258 N -0.91 -5.22 0.10 1.97 5.12 -1.26 -4.91 116.66 111.55 3iwe n ARG 258 Ca 0.17 0.84 -0.17 0.00 -1.93 0.00 0.00 57.85 56.76 3iwe n ARG 258 Cb 0.70 -5.72 -0.12 0.00 -1.16 0.00 0.00 32.46 26.15 3iwe n ARG 258 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3iwe h VAL 259 N -1.56 1.44 -0.59 1.55 2.07 -1.94 -3.37 116.25 113.85 3iwe h VAL 259 Ca -0.53 -2.87 0.04 0.00 0.82 0.00 0.00 66.70 64.16 3iwe h VAL 259 Cb 1.36 2.85 -0.04 0.00 -1.52 0.00 0.00 31.29 33.94 3iwe h VAL 259 CO 0.57 0.85 0.34 0.00 0.02 0.00 0.00 177.57 179.34 3iwe h ALA 260 N 0.54 0.77 -0.18 1.67 0.00 -1.95 -1.11 119.26 118.99 3iwe h ALA 260 Ca -0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3iwe h ALA 260 Cb 1.93 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.57 3iwe h ALA 260 CO 0.21 0.03 0.05 -1.35 0.00 0.00 0.00 179.25 178.19 3iwe h PRO 261 N 0.65 0.25 -0.26 0.00 0.11 -1.99 -0.63 132.00 130.13 3iwe h PRO 261 Ca 0.25 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 66.22 3iwe h PRO 261 Cb 0.09 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.15 3iwe h PRO 261 CO -0.14 0.23 -0.27 0.28 -0.21 0.00 0.00 178.00 177.89 3iwe h VAL 262 N 0.25 1.31 -0.77 3.15 2.07 -1.50 -1.28 116.25 119.47 3iwe h VAL 262 Ca 0.06 -1.44 0.07 0.00 0.82 0.00 0.00 66.70 66.22 3iwe h VAL 262 Cb 0.09 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 3iwe h VAL 262 CO -0.00 0.45 0.44 -0.07 0.02 0.00 0.00 177.57 178.41 3iwe h LEU 263 N 0.36 0.66 -0.32 2.57 3.38 -0.68 -0.09 115.31 121.19 3iwe h LEU 263 Ca 0.04 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3iwe h LEU 263 Cb 0.84 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3iwe h LEU 263 CO 0.07 0.41 -0.05 0.40 0.09 0.00 0.00 178.44 179.35 3iwe h ILE 264 N 0.79 1.27 -0.61 1.22 2.04 -0.98 -1.89 117.51 119.35 3iwe h ILE 264 Ca 0.35 -1.07 -0.09 0.00 1.00 0.00 0.00 64.86 65.06 3iwe h ILE 264 Cb 0.25 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 3iwe h ILE 264 CO -0.21 0.35 0.03 0.03 0.00 0.00 0.00 178.15 178.35 3iwe h ARG 265 N 0.38 1.05 -0.30 2.37 3.08 -0.99 -1.74 114.38 118.24 3iwe h ARG 265 Ca 0.08 -0.31 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 3iwe h ARG 265 Cb 0.53 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3iwe h ARG 265 CO 0.03 1.00 -0.05 1.49 -1.07 0.00 0.00 179.97 181.37 3iwe h GLU 266 N 0.97 0.56 -0.49 0.04 4.57 -0.92 -0.75 114.58 118.55 3iwe h GLU 266 Ca 0.18 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 3iwe h GLU 266 Cb 0.51 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3iwe h GLU 266 CO 0.02 0.74 0.05 0.97 -1.18 0.00 0.00 179.01 179.61 3iwe h ILE 267 N 0.33 1.23 -0.23 2.32 6.09 -1.31 -1.14 117.51 124.80 3iwe h ILE 267 Ca 0.08 -0.91 0.03 0.00 -1.37 0.00 0.00 64.86 62.69 3iwe h ILE 267 Cb 0.52 0.80 -0.03 0.00 0.47 0.00 0.00 36.82 38.57 3iwe h ILE 267 CO 0.02 0.33 0.03 0.74 -3.07 0.00 0.00 178.15 176.20 3iwe h THR 268 N 0.75 0.87 -0.46 2.19 2.02 -1.09 -0.79 112.91 116.40 3iwe h THR 268 Ca 0.15 -0.04 0.03 0.00 0.77 0.00 0.00 66.41 67.32 3iwe h THR 268 Cb 0.38 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 3iwe h THR 268 CO 0.01 0.02 0.26 -0.09 0.37 0.00 0.00 175.52 176.09 3iwe h ARG 269 N 0.11 0.50 0.00 6.66 2.43 -0.76 -0.06 114.38 123.26 3iwe h ARG 269 Ca 0.11 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3iwe h ARG 269 Cb 0.12 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3iwe h ARG 269 CO -0.16 0.33 -0.35 0.00 -1.51 0.00 0.00 179.97 178.28 3iwe h ARG 270 N 0.51 0.00 0.14 0.20 3.08 -0.87 -2.03 114.38 115.41 3iwe h ARG 270 Ca 0.19 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.95 3iwe h ARG 270 Cb 0.05 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.13 3iwe h ARG 270 CO -0.11 0.35 -1.24 0.28 -1.07 0.00 0.00 179.97 178.19 3iwe h VAL 271 N 0.00 1.30 -0.76 2.04 2.07 -0.84 -3.22 116.25 116.84 3iwe h VAL 271 Ca -0.00 -2.49 0.10 0.00 0.82 0.00 0.00 66.70 65.13 3iwe h VAL 271 Cb 0.67 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 33.18 3iwe h VAL 271 CO 0.05 0.75 0.50 0.45 0.02 0.00 0.00 177.57 179.33 3iwe h HIS 272 N 0.20 0.70 0.00 1.57 3.86 -0.69 -1.52 115.15 119.28 3iwe h HIS 272 Ca -0.20 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.00 3iwe h HIS 272 Cb 1.93 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 30.16 3iwe h HIS 272 CO 0.13 0.33 -0.15 -0.07 0.86 0.00 0.00 177.93 179.02 3iwe h LEU 273 N 0.65 0.00 -1.39 2.43 3.38 -1.39 -1.29 115.31 117.70 3iwe h LEU 273 Ca 0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3iwe h LEU 273 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3iwe h LEU 273 CO -0.13 0.15 0.00 -0.62 0.09 0.00 0.00 178.44 177.93 3iwe n GLU 274 N -4.04 1.88 -1.28 1.13 -0.58 -0.58 -4.93 120.64 112.24 3iwe n GLU 274 Ca -0.02 -1.37 -0.02 0.00 -0.42 0.00 0.00 57.16 55.34 3iwe n GLU 274 Cb 0.23 -1.32 -0.01 0.00 -0.57 0.00 0.00 31.44 29.77 3iwe n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iwe n GLY 275 N 1.13 0.45 3.50 0.62 0.00 -0.49 -5.04 105.19 105.37 3iwe n GLY 275 Ca 0.14 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 3iwe n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iwe s ILE 276 N -2.06 3.66 0.00 -0.61 1.01 -1.14 -5.01 121.20 117.05 3iwe s ILE 276 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.19 3iwe s ILE 276 Cb 0.00 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.91 3iwe s ILE 276 CO 0.00 0.53 0.61 0.49 0.00 0.00 0.00 174.94 176.57 3iwe n PHE 277 N 3.14 0.00 -4.19 3.97 3.72 -1.26 -3.53 117.46 119.30 3iwe n PHE 277 Ca -0.18 -0.18 -0.18 0.00 -0.05 0.00 0.00 57.45 56.86 3iwe n PHE 277 Cb 0.53 -0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.93 3iwe n PHE 277 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iwe s GLN 278 N -0.37 0.89 0.04 -1.08 1.11 -1.26 -4.66 119.66 114.33 3iwe s GLN 278 Ca 0.00 -1.07 -0.06 0.00 0.01 0.00 0.00 55.36 54.24 3iwe s GLN 278 Cb 0.00 -0.80 -0.01 0.00 -1.01 0.00 0.00 33.01 31.19 3iwe s GLN 278 CO 0.00 0.16 0.11 0.00 0.01 0.00 0.00 175.29 175.57 3iwe s ALA 279 N -1.73 -0.07 0.04 6.09 0.00 -1.12 -2.44 121.76 122.54 3iwe s ALA 279 Ca 0.03 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.49 3iwe s ALA 279 Cb -0.07 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.30 3iwe s ALA 279 CO 0.02 -0.35 -0.23 0.54 0.00 0.00 0.00 175.76 175.74 3iwe s VAL 280 N -2.84 2.37 0.13 0.00 0.11 -0.16 -0.22 120.40 119.79 3iwe s VAL 280 Ca -0.03 -1.31 -0.18 0.00 -2.93 0.00 0.00 61.98 57.53 3iwe s VAL 280 Cb 0.00 -1.95 0.04 0.00 -1.53 0.00 0.00 36.38 32.95 3iwe s VAL 280 CO -0.06 0.36 0.45 -0.72 -3.33 0.00 0.00 175.10 171.81 3iwe s TYR 281 N -0.84 -0.29 0.14 1.54 -0.85 -0.54 -2.03 117.35 114.49 3iwe s TYR 281 Ca 0.13 0.02 0.09 0.00 -0.52 0.00 0.00 57.07 56.78 3iwe s TYR 281 Cb -0.10 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.52 3iwe s TYR 281 CO 0.03 -0.73 -0.20 0.95 -1.52 0.00 0.00 175.55 174.08 3iwe s THR 282 N -3.69 1.84 0.13 -3.49 -4.23 -1.26 -0.37 115.64 104.56 3iwe s THR 282 Ca 0.02 -1.76 -0.15 0.00 -1.18 0.00 0.00 61.69 58.62 3iwe s THR 282 Cb 0.01 -1.75 0.03 0.00 1.34 0.00 0.00 72.50 72.13 3iwe s THR 282 CO -0.11 -0.17 0.38 0.00 -0.54 0.00 0.00 174.62 174.18 3iwe s ALA 283 N -1.58 -0.85 -1.92 3.99 0.00 -0.80 -4.98 121.76 115.62 3iwe s ALA 283 Ca 0.12 -0.12 0.28 0.00 0.00 0.00 0.00 51.96 52.24 3iwe s ALA 283 Cb -0.08 0.69 1.09 0.00 0.00 0.00 0.00 23.12 24.82 3iwe s ALA 283 CO 0.06 -0.64 1.77 0.41 0.00 0.00 0.00 175.76 177.36 3iwe n GLY 284 N -0.22 -0.61 3.68 0.00 0.00 -1.26 -0.40 105.19 106.38 3iwe n GLY 284 Ca -0.15 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.27 3iwe n GLY 284 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iwe s VAL 285 N -2.33 3.76 -0.17 1.61 -7.23 -1.26 -4.52 120.40 110.27 3iwe s VAL 285 Ca 0.31 -1.51 -0.23 0.00 -1.81 0.00 0.00 61.98 58.74 3iwe s VAL 285 Cb 0.20 -2.93 -0.02 0.00 0.56 0.00 0.00 36.38 34.19 3iwe s VAL 285 CO 0.45 -0.19 0.71 -0.69 -0.31 0.00 0.00 175.10 175.06 3iwe s VAL 286 N -1.90 4.98 0.16 1.32 1.01 -1.26 -4.80 120.40 119.91 3iwe s VAL 286 Ca 0.29 1.38 0.01 0.00 0.00 0.00 0.00 61.98 63.66 3iwe s VAL 286 Cb -0.09 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 3iwe s VAL 286 CO 0.20 0.10 -0.00 -0.76 0.00 0.00 0.00 175.10 174.64 3iwe s LEU 287 N 1.82 2.14 -0.05 3.92 1.43 -1.26 -5.12 118.68 121.57 3iwe s LEU 287 Ca 0.33 -1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 51.98 3iwe s LEU 287 Cb -0.16 -0.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.99 3iwe s LEU 287 CO 0.12 -0.57 1.30 -2.84 0.23 0.00 0.00 176.35 174.59 3iwe s PRO 288 N -3.92 4.30 -0.04 1.29 0.02 -1.26 -3.56 135.00 131.83 3iwe s PRO 288 Ca 0.22 1.80 -0.01 0.00 0.02 0.00 0.00 61.00 63.03 3iwe s PRO 288 Cb 0.06 -3.60 0.03 0.00 0.02 0.00 0.00 34.50 31.01 3iwe s PRO 288 CO 0.02 -0.54 0.09 0.21 -0.33 0.00 0.00 177.00 176.45 3iwe s LYS 289 N 2.49 0.03 0.29 5.54 2.20 -1.25 -4.71 119.74 124.33 3iwe s LYS 289 Ca 0.59 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 56.19 3iwe s LYS 289 Cb -0.27 -0.22 -0.11 0.00 -1.51 0.00 0.00 37.83 35.72 3iwe s LYS 289 CO 0.23 -0.17 1.58 -2.14 -0.36 0.00 0.00 175.35 174.49 3iwe s PRO 290 N 1.13 4.13 0.27 4.03 0.02 -1.23 -4.73 135.00 138.63 3iwe s PRO 290 Ca -0.09 2.55 0.19 0.00 0.02 0.00 0.00 61.00 63.67 3iwe s PRO 290 Cb -0.12 -3.03 0.09 0.00 0.02 0.00 0.00 34.50 31.45 3iwe s PRO 290 CO -0.04 -0.62 1.29 0.28 -0.33 0.00 0.00 177.00 177.58 3iwe h VAL 291 N 3.41 0.38 -2.03 3.83 2.07 -1.20 -3.45 116.25 119.26 3iwe h VAL 291 Ca -0.47 -1.59 -0.05 0.00 0.82 0.00 0.00 66.70 65.41 3iwe h VAL 291 Cb 1.22 2.05 -0.20 0.00 -1.52 0.00 0.00 31.29 32.83 3iwe h VAL 291 CO 0.79 0.22 0.13 -0.83 0.02 0.00 0.00 177.57 177.91 3iwe s GLY 292 N -4.44 -0.54 -0.17 2.17 0.00 -1.21 0.20 107.32 103.33 3iwe s GLY 292 Ca 0.03 1.78 0.01 0.00 0.00 0.00 0.00 44.72 46.53 3iwe s GLY 292 CO 0.75 1.48 -0.18 -1.59 0.00 0.00 0.00 173.10 173.55 3iwe s THR 293 N -0.11 2.26 0.37 0.90 2.01 -1.26 -0.49 115.64 119.32 3iwe s THR 293 Ca -0.03 -0.88 0.08 0.00 0.31 0.00 0.00 61.69 61.16 3iwe s THR 293 Cb -0.03 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 3iwe s THR 293 CO 0.04 0.53 0.17 0.00 -0.69 0.00 0.00 174.62 174.66 3iwe s ARG 295 N -3.88 0.76 0.28 0.00 3.52 -1.26 -1.02 118.95 117.36 3iwe s ARG 295 Ca 0.40 -0.34 -0.28 0.00 -0.13 0.00 0.00 55.73 55.38 3iwe s ARG 295 Cb -0.00 -0.74 -0.09 0.00 -1.56 0.00 0.00 34.95 32.56 3iwe s ARG 295 CO 0.23 0.20 1.00 0.71 -0.81 0.00 0.00 175.30 176.63 3iwe s TYR 296 N -0.22 3.74 0.10 5.12 2.02 -1.26 -1.97 117.35 124.88 3iwe s TYR 296 Ca 0.04 1.80 0.07 0.00 -0.37 0.00 0.00 57.07 58.62 3iwe s TYR 296 Cb -0.04 -3.07 -0.03 0.00 -0.40 0.00 0.00 41.96 38.42 3iwe s TYR 296 CO -0.00 0.02 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.23 3iwe s TRP 297 N -1.32 1.65 0.00 2.71 0.52 0.77 -0.42 118.94 122.86 3iwe s TRP 297 Ca 0.46 -0.43 0.06 0.00 0.02 0.00 0.00 56.10 56.21 3iwe s TRP 297 Cb -0.26 -0.91 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 3iwe s TRP 297 CO 0.32 0.17 -0.20 -3.38 0.02 0.00 0.00 176.95 173.88 3iwe s HIS 298 N -1.20 1.79 -0.24 -1.98 -3.43 0.22 -1.45 115.29 109.00 3iwe s HIS 298 Ca 0.04 -0.35 0.02 0.00 -0.80 0.00 0.00 55.06 53.98 3iwe s HIS 298 Cb -0.10 -1.12 0.05 0.00 -1.43 0.00 0.00 32.58 29.97 3iwe s HIS 298 CO 0.04 0.01 -0.13 0.50 -2.00 0.00 0.00 174.74 173.15 3iwe s ARG 299 N -0.70 2.51 0.12 -0.38 3.00 0.11 0.29 118.95 123.90 3iwe s ARG 299 Ca 0.08 -1.17 -0.31 0.00 -1.00 0.00 0.00 55.73 53.33 3iwe s ARG 299 Cb -0.08 -2.81 -0.10 0.00 0.00 0.00 0.00 34.95 31.97 3iwe s ARG 299 CO 0.00 -0.45 1.69 0.45 0.00 0.00 0.00 175.30 176.98 3iwe s SER 300 N 1.17 6.53 -0.13 -2.12 0.15 -1.26 -1.44 113.70 116.61 3iwe s SER 300 Ca -0.04 2.62 0.03 0.00 0.70 0.00 0.00 55.95 59.26 3iwe s SER 300 Cb -0.18 -2.57 -0.10 0.00 -1.71 0.00 0.00 66.02 61.46 3iwe s SER 300 CO -0.07 -0.91 -0.08 0.18 1.20 0.00 0.00 173.24 173.55 3iwe n LEU 301 N 5.09 2.24 -3.62 3.45 4.77 -0.49 -4.83 117.00 123.61 3iwe n LEU 301 Ca 0.16 -0.06 -0.27 0.00 -0.03 0.00 0.00 56.01 55.81 3iwe n LEU 301 Cb 0.39 -0.30 -0.10 0.00 -2.33 0.00 0.00 43.42 41.08 3iwe n LEU 301 CO 0.63 0.62 -0.11 -3.20 -1.33 0.00 0.00 177.39 174.00 3iwe n ASN 302 N -2.78 2.00 -0.14 -1.43 2.85 -0.42 -4.96 115.26 110.38 3iwe n ASN 302 Ca -0.23 -2.99 0.03 0.00 -0.11 0.00 0.00 54.58 51.27 3iwe n ASN 302 Cb 0.79 -0.68 0.32 0.00 1.24 0.00 0.00 39.78 41.45 3iwe n ASN 302 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3iwe h PRO 303 N 5.11 0.80 -0.26 1.20 0.11 -1.88 -2.12 132.00 134.97 3iwe h PRO 303 Ca 0.18 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.29 3iwe h PRO 303 Cb 0.79 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.67 3iwe h PRO 303 CO 0.63 0.53 -0.02 -0.09 -0.21 0.00 0.00 178.00 178.84 3iwe h ARG 304 N 0.83 0.05 -0.47 1.05 2.43 -1.94 -0.14 114.38 116.18 3iwe h ARG 304 Ca 0.24 -0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.31 3iwe h ARG 304 Cb -0.04 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.48 3iwe h ARG 304 CO -0.06 0.04 -0.07 -0.22 -1.51 0.00 0.00 179.97 178.15 3iwe h LYS 305 N 0.06 0.89 -0.60 0.20 3.64 -1.85 -1.26 116.57 117.64 3iwe h LYS 305 Ca 0.12 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 3iwe h LYS 305 Cb 0.17 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 3iwe h LYS 305 CO -0.22 0.96 0.32 -0.07 -2.27 0.00 0.00 179.45 178.17 3iwe h LEU 306 N 0.73 0.73 -0.07 5.20 3.38 -0.94 -0.61 115.31 123.73 3iwe h LEU 306 Ca 0.13 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.83 3iwe h LEU 306 Cb 0.61 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 41.19 3iwe h LEU 306 CO 0.04 0.60 -0.77 0.40 0.09 0.00 0.00 178.44 178.79 3iwe h ILE 307 N 0.83 1.32 -0.39 1.22 2.04 -0.97 0.26 117.51 121.82 3iwe h ILE 307 Ca 0.21 -2.04 0.05 0.00 1.00 0.00 0.00 64.86 64.08 3iwe h ILE 307 Cb 0.03 2.25 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 3iwe h ILE 307 CO -0.03 0.63 0.12 -0.08 0.00 0.00 0.00 178.15 178.79 3iwe h GLU 308 N 0.31 0.27 -0.02 2.37 4.81 -0.75 -1.65 114.58 119.91 3iwe h GLU 308 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3iwe h GLU 308 Cb 1.43 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.75 3iwe h GLU 308 CO 0.16 0.18 0.00 1.33 -0.73 0.00 0.00 179.01 179.94 3iwe n VAL 309 N -5.03 0.01 -1.94 0.32 0.24 -0.28 -4.92 118.33 106.72 3iwe n VAL 309 Ca 0.02 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.05 3iwe n VAL 309 Cb 0.15 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 32.53 3iwe n VAL 309 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3iwe n LYS 310 N -0.36 -1.06 -0.10 7.34 5.02 -0.62 -4.89 118.16 123.48 3iwe n LYS 310 Ca 0.21 0.80 -0.13 0.00 -2.02 0.00 0.00 58.31 57.16 3iwe n LYS 310 Cb 0.24 -5.00 -0.04 0.00 -0.02 0.00 0.00 35.03 30.20 3iwe n LYS 310 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3iwe h PHE 311 N 0.00 0.87 -1.82 2.13 3.57 -0.84 -3.45 116.94 117.40 3iwe h PHE 311 Ca -0.32 -0.26 -0.55 0.00 3.53 0.00 0.00 57.97 60.38 3iwe h PHE 311 Cb 1.12 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 39.60 3iwe h PHE 311 CO 0.38 1.01 -0.52 -1.12 -2.23 0.00 0.00 178.31 175.83 3iwe s SER 312 N -6.57 4.65 0.09 0.41 0.01 0.07 -4.99 113.70 107.38 3iwe s SER 312 Ca -0.12 -0.82 0.04 0.00 1.31 0.00 0.00 55.95 56.35 3iwe s SER 312 Cb 0.09 -0.68 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 3iwe s SER 312 CO 0.83 -0.35 -0.10 -1.38 0.41 0.00 0.00 173.24 172.65 3iwe s HIS 313 N -2.46 1.03 -0.04 2.43 -3.43 -1.26 -4.18 115.29 107.38 3iwe s HIS 313 Ca 0.39 -0.66 -0.30 0.00 -0.80 0.00 0.00 55.06 53.69 3iwe s HIS 313 Cb -0.02 -0.57 -0.06 0.00 -1.43 0.00 0.00 32.58 30.51 3iwe s HIS 313 CO 0.23 -0.01 1.62 -0.51 -2.00 0.00 0.00 174.74 174.07 3iwe s LEU 314 N -2.43 4.32 0.70 5.38 1.43 -1.26 -4.98 118.68 121.83 3iwe s LEU 314 Ca 0.05 2.23 -0.16 0.00 -1.03 0.00 0.00 54.13 55.21 3iwe s LEU 314 Cb -0.03 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 3iwe s LEU 314 CO -0.00 -0.90 0.86 -1.20 0.23 0.00 0.00 176.35 175.33 3iwe n SER 315 N 6.87 0.12 -0.17 2.29 7.64 -1.26 -4.87 113.62 124.24 3iwe n SER 315 Ca 0.17 0.68 -0.05 0.00 1.01 0.00 0.00 58.87 60.68 3iwe n SER 315 Cb 0.43 -1.35 -0.04 0.00 -1.01 0.00 0.00 64.21 62.23 3iwe n SER 315 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3iwe n ARG 316 N -1.42 -0.18 -1.97 1.43 0.63 -1.26 -1.19 116.66 112.69 3iwe n ARG 316 Ca 0.12 1.08 -0.37 0.00 -0.92 0.00 0.00 57.85 57.76 3iwe n ARG 316 Cb 0.49 -1.60 0.04 0.00 0.45 0.00 0.00 32.46 31.84 3iwe n ARG 316 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3iwe n ASN 317 N -3.92 7.07 -3.95 6.15 5.03 -1.26 -4.97 115.26 119.42 3iwe n ASN 317 Ca 0.01 -3.82 -0.20 0.00 0.87 0.00 0.00 54.58 51.44 3iwe n ASN 317 Cb 0.11 -0.96 -0.16 0.00 -1.02 0.00 0.00 39.78 37.75 3iwe n ASN 317 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3iwe s MET 318 N -3.97 0.98 0.56 3.52 1.75 -0.34 -5.14 119.30 116.66 3iwe s MET 318 Ca 0.52 -0.21 -0.01 0.00 -1.25 0.00 0.00 55.69 54.74 3iwe s MET 318 Cb 0.44 -0.92 0.03 0.00 2.84 0.00 0.00 34.83 37.22 3iwe s MET 318 CO -0.35 0.00 0.81 0.95 -0.65 0.00 0.00 175.02 175.78 3iwe s THR 319 N 0.61 3.05 0.16 10.11 -4.23 -1.26 -4.55 115.64 119.53 3iwe s THR 319 Ca -0.09 -0.47 -0.15 0.00 -1.18 0.00 0.00 61.69 59.79 3iwe s THR 319 Cb -0.12 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.57 3iwe s THR 319 CO 0.01 -0.14 1.81 -0.03 -0.54 0.00 0.00 174.62 175.73 3iwe h MET 320 N 0.01 0.59 -0.47 3.99 4.05 -1.99 -2.07 114.93 119.04 3iwe h MET 320 Ca -0.44 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.01 3iwe h MET 320 Cb 1.28 -0.13 -0.06 0.00 -0.80 0.00 0.00 31.60 31.89 3iwe h MET 320 CO 0.56 0.41 0.14 1.96 0.23 0.00 0.00 176.91 180.20 3iwe h GLN 321 N 0.60 0.29 -0.64 0.39 7.50 -1.99 -0.37 115.11 120.88 3iwe h GLN 321 Ca 0.16 -0.02 -0.07 0.00 0.50 0.00 0.00 58.65 59.23 3iwe h GLN 321 Cb -0.05 -0.06 -0.03 0.00 0.05 0.00 0.00 27.48 27.39 3iwe h GLN 321 CO -0.03 0.19 0.13 -0.09 -1.50 0.00 0.00 178.83 177.53 3iwe h ARG 322 N 0.29 1.02 -0.39 1.46 9.65 -1.92 -2.20 114.38 122.30 3iwe h ARG 322 Ca 0.23 -0.24 -0.10 0.00 -1.10 0.00 0.00 59.98 58.77 3iwe h ARG 322 Cb 0.26 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.70 3iwe h ARG 322 CO -0.26 0.92 -0.14 1.15 2.80 0.00 0.00 179.97 184.44 3iwe h THR 323 N 0.97 1.28 -0.51 0.20 2.02 -0.73 -1.40 112.91 114.75 3iwe h THR 323 Ca 0.20 -1.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.09 3iwe h THR 323 Cb 0.38 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3iwe h THR 323 CO 0.01 0.42 0.17 0.24 0.37 0.00 0.00 175.52 176.72 3iwe h MET 324 N 0.59 0.75 -0.37 6.66 2.86 -0.98 -2.45 114.93 121.99 3iwe h MET 324 Ca 0.09 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3iwe h MET 324 Cb 0.68 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3iwe h MET 324 CO 0.05 0.65 0.02 -0.22 1.06 0.00 0.00 176.91 178.46 3iwe h LYS 325 N 0.74 0.64 -0.89 1.72 3.64 -1.21 -2.13 116.57 119.08 3iwe h LYS 325 Ca 0.17 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3iwe h LYS 325 Cb 0.20 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 31.90 3iwe h LYS 325 CO -0.01 0.73 0.56 1.25 -2.27 0.00 0.00 179.45 179.72 3iwe h LEU 326 N 0.46 0.91 -2.03 5.20 5.85 -0.88 -3.06 115.31 121.76 3iwe h LEU 326 Ca 0.11 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3iwe h LEU 326 Cb 0.43 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3iwe h LEU 326 CO 0.02 0.59 0.00 -1.22 -0.34 0.00 0.00 178.44 177.49 3iwe n TYR 327 N -4.57 0.21 -1.77 1.25 4.01 -0.96 -4.98 117.16 110.35 3iwe n TYR 327 Ca 0.12 -0.11 -0.41 0.00 -0.16 0.00 0.00 57.90 57.35 3iwe n TYR 327 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3iwe n TYR 327 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 3iwe n ARG 328 N 1.33 2.67 -4.36 -0.72 0.63 -0.80 -4.88 116.66 110.52 3iwe n ARG 328 Ca 0.17 0.94 -0.24 0.00 -0.92 0.00 0.00 57.85 57.79 3iwe n ARG 328 Cb 0.59 -2.67 -0.11 0.00 0.45 0.00 0.00 32.46 30.71 3iwe n ARG 328 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 3iwe s LEU 329 N -1.94 2.43 0.77 6.15 1.43 -1.26 -5.07 118.68 121.18 3iwe s LEU 329 Ca 0.54 -0.85 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 3iwe s LEU 329 Cb -0.48 -0.96 0.01 0.00 0.03 0.00 0.00 46.19 44.79 3iwe s LEU 329 CO 0.63 0.03 0.77 -2.65 0.23 0.00 0.00 176.35 175.36 3iwe n PRO 330 N 0.32 0.25 0.10 1.29 -0.02 -1.26 -4.94 135.00 130.75 3iwe n PRO 330 Ca -0.13 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3iwe n PRO 330 Cb 0.56 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.95 3iwe n PRO 330 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3iwe h GLU 331 N -0.61 0.00 -5.38 -0.52 5.08 -2.00 -3.46 114.58 107.69 3iwe h GLU 331 Ca -0.46 0.00 -0.42 0.00 -1.00 0.00 0.00 59.36 57.48 3iwe h GLU 331 Cb 1.33 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.36 3iwe h GLU 331 CO 0.43 0.56 -0.78 0.95 -1.00 0.00 0.00 179.01 179.17 3iwe s THR 332 N -2.90 1.14 0.71 1.13 -4.23 -1.26 -4.90 115.64 105.32 3iwe s THR 332 Ca 0.02 -1.33 -0.14 0.00 -1.18 0.00 0.00 61.69 59.06 3iwe s THR 332 Cb 0.08 -1.10 0.03 0.00 1.34 0.00 0.00 72.50 72.85 3iwe s THR 332 CO 0.77 -0.22 1.14 -2.16 -0.54 0.00 0.00 174.62 173.61 3iwe s PRO 333 N -1.77 2.46 -0.03 3.99 0.04 -1.26 -4.99 135.00 133.44 3iwe s PRO 333 Ca -0.01 1.47 0.20 0.00 0.04 0.00 0.00 61.00 62.70 3iwe s PRO 333 Cb -0.10 -1.90 -0.30 0.00 0.04 0.00 0.00 34.50 32.24 3iwe s PRO 333 CO 0.02 -1.53 0.42 0.36 0.04 0.00 0.00 177.00 176.31 3iwe n LYS 334 N -2.73 0.59 -2.01 4.56 2.85 -1.26 -4.98 118.16 115.18 3iwe n LYS 334 Ca 0.11 -0.18 -0.42 0.00 -1.05 0.00 0.00 58.31 56.77 3iwe n LYS 334 Cb 0.52 -1.46 -0.03 0.00 -0.65 0.00 0.00 35.03 33.41 3iwe n LYS 334 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3iwe s THR 335 N -3.34 3.14 0.15 0.58 2.01 -1.26 -4.92 115.64 112.00 3iwe s THR 335 Ca -0.07 0.65 -0.31 0.00 0.31 0.00 0.00 61.69 62.26 3iwe s THR 335 Cb 0.12 -3.42 -0.11 0.00 0.01 0.00 0.00 72.50 69.11 3iwe s THR 335 CO 0.81 0.01 1.74 0.00 -0.69 0.00 0.00 174.62 176.49 3iwe s ALA 336 N 2.23 3.82 0.00 7.40 0.00 -1.26 -2.91 121.76 131.05 3iwe s ALA 336 Ca 0.70 1.47 0.00 0.00 0.00 0.00 0.00 51.96 54.13 3iwe s ALA 336 Cb -0.38 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.02 3iwe s ALA 336 CO 0.31 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3iwe n GLY 337 N 4.05 0.56 3.73 0.00 0.00 -1.26 -4.63 105.19 107.64 3iwe n GLY 337 Ca 0.16 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3iwe n GLY 337 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iwe s LEU 338 N 0.00 4.42 0.12 0.99 2.96 -1.14 -0.86 118.68 125.16 3iwe s LEU 338 Ca 0.00 2.26 -0.24 0.00 -0.22 0.00 0.00 54.13 55.93 3iwe s LEU 338 Cb 0.00 -3.60 0.07 0.00 0.50 0.00 0.00 46.19 43.16 3iwe s LEU 338 CO 0.00 -0.47 0.60 0.00 -1.32 0.00 0.00 176.35 175.16 3iwe s ARG 339 N 0.17 1.22 0.57 1.98 1.70 -0.30 -4.97 118.95 119.32 3iwe s ARG 339 Ca 0.56 -0.36 -0.21 0.00 -0.47 0.00 0.00 55.73 55.26 3iwe s ARG 339 Cb -0.34 0.56 -0.04 0.00 -0.57 0.00 0.00 34.95 34.56 3iwe s ARG 339 CO 0.35 -0.51 1.31 -2.30 -1.08 0.00 0.00 175.30 173.07 3iwe n PRO 340 N -0.12 1.49 -1.92 3.89 -0.02 -1.26 -0.02 135.00 137.04 3iwe n PRO 340 Ca -0.17 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.47 3iwe n PRO 340 Cb 0.63 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 3iwe n PRO 340 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3iwe s MET 341 N -2.96 3.89 0.39 -0.52 1.75 -0.34 -4.63 119.30 116.88 3iwe s MET 341 Ca 0.74 2.32 0.04 0.00 -1.25 0.00 0.00 55.69 57.54 3iwe s MET 341 Cb -0.41 -2.76 -0.05 0.00 2.84 0.00 0.00 34.83 34.44 3iwe s MET 341 CO 0.47 -0.61 0.05 -1.21 -0.65 0.00 0.00 175.02 173.07 3iwe s GLU 342 N -2.28 1.86 0.25 4.11 2.02 -1.26 -4.65 118.70 118.75 3iwe s GLU 342 Ca 0.58 -2.09 -0.03 0.00 0.02 0.00 0.00 54.97 53.45 3iwe s GLU 342 Cb -0.41 -1.09 0.44 0.00 0.10 0.00 0.00 34.13 33.16 3iwe s GLU 342 CO 0.54 -0.24 1.79 1.15 0.02 0.00 0.00 175.26 178.52 3iwe h THR 343 N 1.85 0.85 -0.03 3.63 2.02 -2.03 -1.36 112.91 117.85 3iwe h THR 343 Ca -0.41 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 66.53 3iwe h THR 343 Cb 1.26 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3iwe h THR 343 CO 0.70 0.13 0.05 0.07 0.37 0.00 0.00 175.52 176.85 3iwe h LYS 344 N 0.73 0.00 -0.00 6.66 2.10 -2.02 -2.08 116.57 121.96 3iwe h LYS 344 Ca 0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.07 3iwe h LYS 344 Cb 0.46 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 3iwe h LYS 344 CO -0.29 0.00 -0.24 -0.25 -2.00 0.00 0.00 179.45 176.67 3iwe n ASP 345 N -3.45 0.41 -0.06 7.07 8.00 -0.51 -4.40 116.55 123.60 3iwe n ASP 345 Ca -0.02 -0.20 -0.07 0.00 0.71 0.00 0.00 54.79 55.21 3iwe n ASP 345 Cb 0.13 -0.05 -0.01 0.00 -0.02 0.00 0.00 41.12 41.17 3iwe n ASP 345 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3iwe h ILE 346 N 0.26 0.69 -0.58 0.53 2.04 -1.44 -1.17 117.51 117.85 3iwe h ILE 346 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 3iwe h ILE 346 Cb 0.46 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3iwe h ILE 346 CO 0.00 0.00 0.31 -0.65 0.00 0.00 0.00 178.15 177.81 3iwe h PRO 347 N -0.03 0.81 -0.23 2.37 0.11 -1.82 -1.76 132.00 131.45 3iwe h PRO 347 Ca 0.13 -0.10 -0.15 0.00 0.11 0.00 0.00 66.00 65.99 3iwe h PRO 347 Cb 0.23 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 3iwe h PRO 347 CO -0.29 0.63 -0.49 -0.24 -0.21 0.00 0.00 178.00 177.40 3iwe h VAL 348 N 0.78 1.31 -0.71 3.15 3.04 -1.79 -0.90 116.25 121.13 3iwe h VAL 348 Ca 0.20 -1.70 0.01 0.00 -1.01 0.00 0.00 66.70 64.20 3iwe h VAL 348 Cb 0.05 1.65 -0.04 0.00 -2.01 0.00 0.00 31.29 30.95 3iwe h VAL 348 CO -0.03 0.54 0.47 0.58 -1.01 0.00 0.00 177.57 178.12 3iwe h VAL 349 N 0.50 1.18 -0.43 1.51 2.07 -1.11 0.12 116.25 120.08 3iwe h VAL 349 Ca 0.02 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 3iwe h VAL 349 Cb 1.03 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 3iwe h VAL 349 CO 0.10 0.18 0.26 -0.74 0.02 0.00 0.00 177.57 177.38 3iwe h HIS 350 N 0.96 0.57 0.14 1.57 6.17 -1.00 -1.15 115.15 122.42 3iwe h HIS 350 Ca 0.26 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.33 3iwe h HIS 350 Cb -0.11 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 29.63 3iwe h HIS 350 CO -0.02 0.41 -0.07 0.37 0.71 0.00 0.00 177.93 179.32 3iwe h GLN 351 N 0.57 -0.18 -0.19 5.26 4.15 -0.66 -1.75 115.11 122.31 3iwe h GLN 351 Ca 0.16 0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.61 3iwe h GLN 351 Cb 0.00 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.71 3iwe h GLN 351 CO -0.03 -0.10 0.03 -0.07 -1.93 0.00 0.00 178.83 176.74 3iwe h LEU 352 N -0.22 -0.00 -0.49 -2.39 3.38 -0.69 -2.41 115.31 112.48 3iwe h LEU 352 Ca -0.02 0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3iwe h LEU 352 Cb 0.17 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3iwe h LEU 352 CO 0.03 0.03 0.30 0.25 0.09 0.00 0.00 178.44 179.14 3iwe h LEU 353 N 0.11 0.58 -0.18 1.67 5.85 -1.18 -1.09 115.31 121.08 3iwe h LEU 353 Ca 0.09 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.78 3iwe h LEU 353 Cb 0.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3iwe h LEU 353 CO -0.12 0.46 0.03 0.74 -0.34 0.00 0.00 178.44 179.21 3iwe h THR 354 N 0.66 0.92 -0.58 1.05 2.02 -1.11 -1.33 112.91 114.53 3iwe h THR 354 Ca 0.18 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.25 3iwe h THR 354 Cb -0.02 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 3iwe h THR 354 CO -0.03 0.02 0.08 -0.09 0.37 0.00 0.00 175.52 175.86 3iwe h ARG 355 N 0.10 0.96 -0.93 6.66 2.43 -1.29 -3.11 114.38 119.21 3iwe h ARG 355 Ca 0.08 -0.27 -0.00 0.00 -0.81 0.00 0.00 59.98 58.98 3iwe h ARG 355 Cb 0.08 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 3iwe h ARG 355 CO -0.11 0.92 0.57 -0.92 -1.51 0.00 0.00 179.97 178.93 3iwe h TYR 356 N 0.86 1.21 0.00 2.20 3.20 -0.81 -2.71 116.97 120.93 3iwe h TYR 356 Ca 0.17 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3iwe h TYR 356 Cb 0.44 -0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3iwe h TYR 356 CO 0.03 0.80 0.00 1.28 -1.64 0.00 0.00 178.16 178.63 3iwe n LEU 357 N -4.36 0.37 0.27 2.82 4.77 -0.54 -3.43 117.00 116.90 3iwe n LEU 357 Ca 0.10 0.58 0.11 0.00 -0.03 0.00 0.00 56.01 56.77 3iwe n LEU 357 Cb 0.05 -0.51 0.72 0.00 -2.33 0.00 0.00 43.42 41.35 3iwe n LEU 357 CO 0.38 -0.36 1.04 0.11 -1.33 0.00 0.00 177.39 177.23 3iwe h LYS 358 N 0.00 0.00 0.00 3.23 1.57 -1.53 -2.43 116.57 117.41 3iwe h LYS 358 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iwe h LYS 358 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3iwe h LYS 358 CO 0.00 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 3iwe n GLN 359 N -4.12 0.15 -3.43 3.15 10.64 -1.22 -4.83 117.38 117.71 3iwe n GLN 359 Ca -0.03 0.26 -0.19 0.00 -1.83 0.00 0.00 57.00 55.21 3iwe n GLN 359 Cb 0.14 -1.73 -0.02 0.00 -0.86 0.00 0.00 30.24 27.78 3iwe n GLN 359 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3iwe s PHE 360 N -3.15 2.84 -0.46 2.61 0.08 -0.92 -4.98 117.98 114.01 3iwe s PHE 360 Ca 0.08 -0.38 0.19 0.00 0.12 0.00 0.00 56.93 56.93 3iwe s PHE 360 Cb 0.12 -2.13 -0.25 0.00 -0.57 0.00 0.00 43.02 40.19 3iwe s PHE 360 CO 0.45 -0.13 0.61 0.72 -0.10 0.00 0.00 175.22 176.77 3iwe n HIS 361 N -1.62 0.00 -3.67 0.36 8.25 0.45 -4.84 115.22 114.14 3iwe n HIS 361 Ca 0.03 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.23 3iwe n HIS 361 Cb 0.60 -0.21 -0.17 0.00 1.12 0.00 0.00 29.99 31.33 3iwe n HIS 361 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3iwe s LEU 362 N -3.57 0.69 0.05 2.41 2.96 -1.18 -0.86 118.68 119.18 3iwe s LEU 362 Ca 0.00 -0.65 -0.07 0.00 -0.22 0.00 0.00 54.13 53.20 3iwe s LEU 362 Cb 0.13 -0.39 -0.01 0.00 0.50 0.00 0.00 46.19 46.42 3iwe s LEU 362 CO 0.77 -0.32 0.14 0.42 -1.32 0.00 0.00 176.35 176.04 3iwe s THR 363 N 2.02 0.13 0.59 3.68 -4.23 -0.42 -0.04 115.64 117.38 3iwe s THR 363 Ca 0.01 -1.11 -0.13 0.00 -1.18 0.00 0.00 61.69 59.28 3iwe s THR 363 Cb -0.16 -1.06 -0.05 0.00 1.34 0.00 0.00 72.50 72.57 3iwe s THR 363 CO -0.08 -0.61 1.02 -2.16 -0.54 0.00 0.00 174.62 172.25 3iwe s PRO 364 N -3.01 3.59 -0.30 3.99 0.04 -1.26 -0.79 135.00 137.25 3iwe s PRO 364 Ca -0.02 0.89 0.03 0.00 0.04 0.00 0.00 61.00 61.95 3iwe s PRO 364 Cb 0.01 -2.08 0.08 0.00 0.04 0.00 0.00 34.50 32.55 3iwe s PRO 364 CO -0.06 -0.58 -0.01 0.08 0.04 0.00 0.00 177.00 176.47 3iwe s VAL 365 N -2.91 2.09 -0.14 -0.36 1.01 -0.01 -4.74 120.40 115.33 3iwe s VAL 365 Ca 0.58 -1.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.54 3iwe s VAL 365 Cb -0.12 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3iwe s VAL 365 CO 0.45 -0.37 0.09 -0.04 0.00 0.00 0.00 175.10 175.23 3iwe s MET 366 N 1.06 3.63 0.93 2.72 -1.94 -1.26 -4.30 119.30 120.13 3iwe s MET 366 Ca 0.03 -0.26 -0.12 0.00 -1.71 0.00 0.00 55.69 53.63 3iwe s MET 366 Cb -0.19 -3.16 0.15 0.00 2.01 0.00 0.00 34.83 33.64 3iwe s MET 366 CO -0.08 0.54 1.10 -1.54 -0.01 0.00 0.00 175.02 175.03 3iwe s SER 367 N -0.38 3.27 0.36 3.03 1.04 -1.26 -4.84 113.70 114.92 3iwe s SER 367 Ca 0.10 1.28 0.04 0.00 0.48 0.00 0.00 55.95 57.85 3iwe s SER 367 Cb -0.12 -1.95 0.69 0.00 0.10 0.00 0.00 66.02 64.75 3iwe s SER 367 CO 0.02 -2.74 1.98 -0.61 0.98 0.00 0.00 173.24 172.86 3iwe h GLN 368 N -1.62 0.64 -0.70 4.02 4.15 -1.98 -0.50 115.11 119.11 3iwe h GLN 368 Ca -0.51 -0.07 -0.06 0.00 0.77 0.00 0.00 58.65 58.78 3iwe h GLN 368 Cb 1.31 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 28.84 3iwe h GLN 368 CO 0.57 0.50 0.20 0.93 -1.93 0.00 0.00 178.83 179.10 3iwe h GLU 369 N 0.64 1.10 -0.59 1.69 4.39 -1.99 -1.48 114.58 118.35 3iwe h GLU 369 Ca 0.16 -0.25 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 3iwe h GLU 369 Cb 0.07 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 3iwe h GLU 369 CO -0.02 0.96 -0.01 0.93 -1.16 0.00 0.00 179.01 179.71 3iwe h GLU 370 N 1.04 1.04 -0.56 2.33 5.08 -1.75 -1.97 114.58 119.80 3iwe h GLU 370 Ca 0.22 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3iwe h GLU 370 Cb 0.33 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3iwe h GLU 370 CO -0.00 1.02 0.35 0.28 -1.00 0.00 0.00 179.01 179.66 3iwe h VAL 371 N 0.95 1.16 -0.12 3.13 2.07 -0.87 0.61 116.25 123.17 3iwe h VAL 371 Ca 0.17 -0.32 0.04 0.00 0.82 0.00 0.00 66.70 67.41 3iwe h VAL 371 Cb 0.56 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3iwe h VAL 371 CO 0.03 0.15 -0.21 -0.08 0.02 0.00 0.00 177.57 177.49 3iwe h GLU 372 N 0.75 -0.26 -0.18 1.57 4.22 -1.10 -1.21 114.58 118.37 3iwe h GLU 372 Ca 0.20 0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.66 3iwe h GLU 372 Cb -0.05 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3iwe h GLU 372 CO -0.04 -0.17 0.12 1.25 -2.18 0.00 0.00 179.01 177.98 3iwe h HIS 373 N -0.27 0.23 0.00 0.92 2.76 -0.78 -1.42 115.15 116.59 3iwe h HIS 373 Ca 0.10 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.26 3iwe h HIS 373 Cb 0.41 -0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.29 3iwe h HIS 373 CO -0.31 0.15 -0.08 -1.49 -1.30 0.00 0.00 177.93 174.90 3iwe h TRP 374 N 0.24 0.00 0.00 5.26 -0.00 -0.77 -3.39 115.95 117.30 3iwe h TRP 374 Ca 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 58.89 58.94 3iwe h TRP 374 Cb -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.14 3iwe h TRP 374 CO -0.06 0.08 -1.07 1.19 -0.00 0.00 0.00 178.44 178.57 3iwe n PHE 375 N -3.12 0.00 -1.72 0.49 3.72 -0.47 -4.99 117.46 111.37 3iwe n PHE 375 Ca 0.03 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.01 3iwe n PHE 375 Cb 0.55 -0.05 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 3iwe n PHE 375 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 3iwe s TYR 376 N -2.04 2.03 0.28 1.38 5.04 -0.54 -4.30 117.35 119.19 3iwe s TYR 376 Ca -0.01 -0.07 -0.30 0.00 -2.44 0.00 0.00 57.07 54.25 3iwe s TYR 376 Cb 0.00 -4.18 -0.12 0.00 0.35 0.00 0.00 41.96 38.02 3iwe s TYR 376 CO 0.05 -4.92 1.58 -2.30 -1.34 0.00 0.00 175.55 168.62 3iwe n PRO 377 N 5.97 2.61 -3.86 4.97 -0.02 -1.26 -4.90 135.00 138.51 3iwe n PRO 377 Ca 0.18 0.93 -0.23 0.00 -2.02 0.00 0.00 63.50 62.36 3iwe n PRO 377 Cb 0.39 -2.70 -0.17 0.00 -0.02 0.00 0.00 33.50 30.99 3iwe n PRO 377 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3iwe s GLN 378 N -0.40 0.83 0.23 -0.52 -0.21 -0.40 -5.00 119.66 114.18 3iwe s GLN 378 Ca 0.65 0.00 -0.31 0.00 0.02 0.00 0.00 55.36 55.72 3iwe s GLN 378 Cb -0.52 -1.08 -0.14 0.00 1.00 0.00 0.00 33.01 32.27 3iwe s GLN 378 CO 0.48 -0.26 1.23 -0.85 -2.12 0.00 0.00 175.29 173.77 3iwe n GLU 379 N 4.94 1.57 -1.35 2.91 -0.00 -1.26 -1.60 120.64 125.85 3iwe n GLU 379 Ca -0.11 0.56 -0.12 0.00 -0.00 0.00 0.00 57.16 57.49 3iwe n GLU 379 Cb 0.50 -2.10 -0.05 0.00 -0.00 0.00 0.00 31.44 29.79 3iwe n GLU 379 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3iwe n ASN 380 N 1.86 -5.29 0.08 -1.84 3.02 -1.26 -4.74 115.26 107.09 3iwe n ASN 380 Ca 0.12 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 3iwe n ASN 380 Cb 0.29 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.60 3iwe n ASN 380 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3iwe n ILE 381 N -2.37 0.43 -3.79 2.41 5.41 -0.62 -4.66 119.36 116.17 3iwe n ILE 381 Ca -0.12 0.14 -0.13 0.00 1.00 0.00 0.00 62.75 63.64 3iwe n ILE 381 Cb 0.54 -0.87 -0.14 0.00 -0.71 0.00 0.00 39.64 38.45 3iwe n ILE 381 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3iwe s ILE 382 N -1.75 -0.03 -0.08 1.39 1.10 -0.72 -0.73 121.20 120.37 3iwe s ILE 382 Ca 0.00 0.13 0.04 0.00 -0.51 0.00 0.00 60.65 60.31 3iwe s ILE 382 Cb 0.00 -0.16 -0.00 0.00 0.15 0.00 0.00 42.46 42.45 3iwe s ILE 382 CO 0.00 0.05 -0.22 -1.81 -2.11 0.00 0.00 174.94 170.85 3iwe s ASP 383 N 0.75 2.86 -0.03 4.50 1.01 -0.46 -1.27 116.67 124.04 3iwe s ASP 383 Ca -0.06 -0.50 0.01 0.00 0.71 0.00 0.00 52.55 52.71 3iwe s ASP 383 Cb -0.08 -1.10 0.02 0.00 1.01 0.00 0.00 42.92 42.76 3iwe s ASP 383 CO -0.03 0.17 -0.04 -0.89 0.21 0.00 0.00 175.17 174.60 3iwe s THR 384 N 0.19 0.42 -0.04 -1.27 2.01 -1.26 -1.49 115.64 114.19 3iwe s THR 384 Ca -0.12 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.82 3iwe s THR 384 Cb -0.16 -0.44 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 3iwe s THR 384 CO 0.06 0.18 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.63 3iwe s PHE 385 N 0.66 1.79 0.16 4.92 0.08 -0.09 -1.19 117.98 124.30 3iwe s PHE 385 Ca -0.08 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 56.53 3iwe s PHE 385 Cb -0.11 -1.20 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 3iwe s PHE 385 CO -0.00 -0.17 0.01 0.14 -0.10 0.00 0.00 175.22 175.10 3iwe s VAL 386 N 0.00 3.83 -0.39 -0.44 -7.23 0.98 -1.13 120.40 116.02 3iwe s VAL 386 Ca -0.03 -1.32 -0.15 0.00 -1.81 0.00 0.00 61.98 58.67 3iwe s VAL 386 Cb -0.12 -2.91 0.01 0.00 0.56 0.00 0.00 36.38 33.92 3iwe s VAL 386 CO 0.02 -0.07 0.30 -0.69 -0.31 0.00 0.00 175.10 174.35 3iwe s VAL 387 N -1.66 5.25 -0.31 1.32 1.01 -0.21 -1.15 120.40 124.66 3iwe s VAL 387 Ca 0.27 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.70 3iwe s VAL 387 Cb -0.10 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3iwe s VAL 387 CO 0.19 -0.22 0.13 -0.70 0.00 0.00 0.00 175.10 174.50 3iwe s GLU 388 N 1.75 3.23 0.43 2.72 2.12 -0.04 -1.38 118.70 127.53 3iwe s GLU 388 Ca 0.06 -0.78 -0.07 0.00 0.36 0.00 0.00 54.97 54.54 3iwe s GLU 388 Cb -0.18 -3.51 0.10 0.00 0.26 0.00 0.00 34.13 30.79 3iwe s GLU 388 CO 0.11 -0.44 0.59 0.27 -0.54 0.00 0.00 175.26 175.24 3iwe n ASN 389 N 4.95 0.06 0.32 -1.70 0.23 -0.02 -4.33 115.26 114.78 3iwe n ASN 389 Ca -0.14 -1.22 0.21 0.00 -0.53 0.00 0.00 54.58 52.90 3iwe n ASN 389 Cb 0.49 -0.45 1.08 0.00 -2.08 0.00 0.00 39.78 38.81 3iwe n ASN 389 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iwe h ALA 390 N -1.86 1.00 -0.66 -2.53 0.00 -1.94 -1.38 119.26 111.89 3iwe h ALA 390 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iwe h ALA 390 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3iwe h ALA 390 CO 0.14 0.00 0.00 -1.71 0.00 0.00 0.00 179.25 177.68 3iwe n ASN 391 N -3.05 4.68 -0.03 0.00 5.15 -1.26 -4.93 115.26 115.82 3iwe n ASN 391 Ca -0.02 -2.39 -0.00 0.00 -0.60 0.00 0.00 54.58 51.57 3iwe n ASN 391 Cb 0.13 -0.57 -0.00 0.00 -0.53 0.00 0.00 39.78 38.81 3iwe n ASN 391 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iwe n GLY 392 N 1.21 0.38 3.72 8.20 0.00 -0.52 -5.01 105.19 113.17 3iwe n GLY 392 Ca 0.26 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3iwe n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iwe s GLU 393 N -0.69 4.30 -0.19 1.61 2.02 -1.26 -4.77 118.70 119.72 3iwe s GLU 393 Ca 0.00 0.30 -0.28 0.00 0.02 0.00 0.00 54.97 55.02 3iwe s GLU 393 Cb 0.00 -3.44 -0.00 0.00 0.10 0.00 0.00 34.13 30.79 3iwe s GLU 393 CO 0.00 0.18 0.96 0.08 0.02 0.00 0.00 175.26 176.50 3iwe s VAL 394 N 0.60 4.77 -0.05 2.63 1.01 -1.26 -0.84 120.40 127.25 3iwe s VAL 394 Ca 0.22 1.90 0.04 0.00 0.00 0.00 0.00 61.98 64.14 3iwe s VAL 394 Cb -0.14 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 3iwe s VAL 394 CO 0.08 -0.08 0.10 0.35 0.00 0.00 0.00 175.10 175.55 3iwe n THR 395 N 5.00 0.00 -3.69 3.92 -2.24 -0.48 -5.01 114.28 111.79 3iwe n THR 395 Ca 0.09 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 3iwe n THR 395 Cb 0.47 0.59 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 3iwe n THR 395 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iwe s ASP 396 N -2.11 -0.15 0.01 3.42 1.01 -1.25 -2.79 116.67 114.79 3iwe s ASP 396 Ca -0.01 -0.37 -0.20 0.00 0.71 0.00 0.00 52.55 52.68 3iwe s ASP 396 Cb 0.03 0.44 0.04 0.00 1.01 0.00 0.00 42.92 44.43 3iwe s ASP 396 CO 0.15 -0.81 0.44 0.72 0.21 0.00 0.00 175.17 175.89 3iwe s PHE 397 N -3.72 -0.33 0.10 4.23 -0.12 -0.23 -1.04 117.98 116.87 3iwe s PHE 397 Ca 0.03 0.44 0.08 0.00 -0.05 0.00 0.00 56.93 57.43 3iwe s PHE 397 Cb 0.02 0.23 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 3iwe s PHE 397 CO -0.11 -0.53 -0.21 -0.48 -0.05 0.00 0.00 175.22 173.84 3iwe s LEU 398 N -1.62 2.29 -0.01 -1.99 0.05 -0.29 -0.54 118.68 116.58 3iwe s LEU 398 Ca -0.09 -0.68 -0.13 0.00 0.05 0.00 0.00 54.13 53.28 3iwe s LEU 398 Cb -0.02 -0.88 0.02 0.00 -2.05 0.00 0.00 46.19 43.26 3iwe s LEU 398 CO 0.02 0.06 0.27 -0.94 -0.55 0.00 0.00 176.35 175.21 3iwe s SER 399 N -1.88 -0.14 -0.09 1.48 1.04 -1.07 -0.91 113.70 112.13 3iwe s SER 399 Ca 0.06 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.33 3iwe s SER 399 Cb -0.10 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.35 3iwe s SER 399 CO 0.04 -0.43 0.42 0.72 0.98 0.00 0.00 173.24 174.97 3iwe s PHE 400 N -1.34 -0.39 0.27 5.02 -0.12 -0.56 -1.34 117.98 119.52 3iwe s PHE 400 Ca -0.14 0.83 0.08 0.00 -0.05 0.00 0.00 56.93 57.65 3iwe s PHE 400 Cb -0.06 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 3iwe s PHE 400 CO 0.04 -0.34 0.14 1.52 -0.05 0.00 0.00 175.22 176.53 3iwe s TYR 401 N -0.55 2.93 -0.29 3.49 -0.85 -0.15 -1.35 117.35 120.58 3iwe s TYR 401 Ca -0.07 -0.18 -0.10 0.00 -0.52 0.00 0.00 57.07 56.20 3iwe s TYR 401 Cb -0.03 -1.40 -0.03 0.00 0.38 0.00 0.00 41.96 40.88 3iwe s TYR 401 CO 0.03 0.50 0.16 0.99 -1.52 0.00 0.00 175.55 175.72 3iwe s THR 402 N -2.23 4.86 -0.29 -3.49 2.01 0.09 -0.98 115.64 115.61 3iwe s THR 402 Ca 0.34 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.16 3iwe s THR 402 Cb -0.07 -3.39 0.12 0.00 0.01 0.00 0.00 72.50 69.17 3iwe s THR 402 CO 0.23 0.17 0.21 -0.22 -0.69 0.00 0.00 174.62 174.33 3iwe s LEU 403 N 1.68 0.14 0.73 4.42 2.96 -0.79 -4.76 118.68 123.05 3iwe s LEU 403 Ca 0.06 -1.01 -0.11 0.00 -0.22 0.00 0.00 54.13 52.85 3iwe s LEU 403 Cb -0.16 0.09 0.03 0.00 0.50 0.00 0.00 46.19 46.64 3iwe s LEU 403 CO 0.08 -0.41 1.08 -2.16 -1.32 0.00 0.00 176.35 173.61 3iwe s PRO 404 N 2.23 2.68 -0.06 0.98 0.04 -1.26 -3.60 135.00 136.02 3iwe s PRO 404 Ca 0.09 0.69 0.05 0.00 0.04 0.00 0.00 61.00 61.87 3iwe s PRO 404 Cb -0.15 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 3iwe s PRO 404 CO -0.35 -1.21 -0.22 -1.12 0.04 0.00 0.00 177.00 174.15 3iwe s SER 405 N -4.02 2.70 0.31 6.66 0.01 0.37 -0.95 113.70 118.78 3iwe s SER 405 Ca 0.59 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 57.10 3iwe s SER 405 Cb -0.13 -0.84 -0.10 0.00 0.21 0.00 0.00 66.02 65.16 3iwe s SER 405 CO 0.54 0.19 1.37 -0.89 0.41 0.00 0.00 173.24 174.86 3iwe s THR 406 N 0.02 2.64 -0.59 1.44 2.01 0.10 -0.38 115.64 120.88 3iwe s THR 406 Ca -0.06 0.60 -0.25 0.00 0.31 0.00 0.00 61.69 62.29 3iwe s THR 406 Cb -0.14 -3.39 0.04 0.00 0.01 0.00 0.00 72.50 69.03 3iwe s THR 406 CO 0.04 0.13 1.05 -0.63 -0.69 0.00 0.00 174.62 174.52 3iwe s ILE 407 N -0.74 4.20 0.23 1.82 -1.09 -1.26 -2.38 121.20 121.98 3iwe s ILE 407 Ca 0.53 0.39 -0.06 0.00 -2.23 0.00 0.00 60.65 59.29 3iwe s ILE 407 Cb -0.41 -4.65 0.14 0.00 -1.58 0.00 0.00 42.46 35.96 3iwe s ILE 407 CO 0.50 -1.30 1.77 0.24 -1.23 0.00 0.00 174.94 174.92 3iwe h MET 408 N 9.49 1.05 0.00 2.79 2.86 -1.27 -2.05 114.93 127.80 3iwe h MET 408 Ca -0.26 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3iwe h MET 408 Cb 1.07 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.57 3iwe h MET 408 CO 1.15 0.91 0.00 -0.91 1.06 0.00 0.00 176.91 179.12 3iwe h ASN 409 N 1.01 0.00 -2.43 1.22 -0.26 -1.88 -3.35 115.58 109.89 3iwe h ASN 409 Ca 0.22 0.00 -0.59 0.00 -0.56 0.00 0.00 56.30 55.37 3iwe h ASN 409 Cb 0.31 0.00 -0.39 0.00 -1.06 0.00 0.00 38.32 37.18 3iwe h ASN 409 CO -0.00 0.00 -0.89 1.41 -1.06 0.00 0.00 177.43 176.88 3iwe n HIS 410 N -2.75 0.36 0.01 1.19 8.25 -0.78 -5.01 115.22 116.49 3iwe n HIS 410 Ca 0.03 -3.62 0.14 0.00 -0.26 0.00 0.00 57.72 54.01 3iwe n HIS 410 Cb 0.39 -0.09 0.60 0.00 1.12 0.00 0.00 29.99 32.00 3iwe n HIS 410 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 3iwe h PRO 411 N 5.17 0.17 0.00 -0.41 0.11 -1.67 -1.84 132.00 133.52 3iwe h PRO 411 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3iwe h PRO 411 Cb 0.85 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3iwe h PRO 411 CO 0.49 0.11 -0.52 2.41 -0.21 0.00 0.00 178.00 180.28 3iwe n THR 412 N -4.45 0.21 -2.11 -1.15 -1.04 -1.26 -4.88 114.28 99.60 3iwe n THR 412 Ca 0.07 -0.16 -0.34 0.00 -2.04 0.00 0.00 64.05 61.59 3iwe n THR 412 Cb 0.41 -0.03 0.01 0.00 -1.82 0.00 0.00 70.33 68.89 3iwe n THR 412 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3iwe s HIS 413 N -3.10 2.82 0.17 -1.42 5.04 -0.69 -4.96 115.29 113.15 3iwe s HIS 413 Ca 0.09 1.54 -0.34 0.00 -1.54 0.00 0.00 55.06 54.81 3iwe s HIS 413 Cb 0.15 -3.13 -0.15 0.00 0.04 0.00 0.00 32.58 29.50 3iwe s HIS 413 CO 0.70 -1.32 1.42 1.63 -2.34 0.00 0.00 174.74 174.83 3iwe n LYS 414 N -1.77 1.76 -1.46 2.88 4.76 -1.26 -4.75 118.16 118.32 3iwe n LYS 414 Ca 0.10 0.63 -0.34 0.00 -2.87 0.00 0.00 58.31 55.83 3iwe n LYS 414 Cb 0.52 -2.31 0.09 0.00 -1.84 0.00 0.00 35.03 31.49 3iwe n LYS 414 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3iwe s SER 415 N 0.52 4.32 -0.16 4.39 1.04 -1.26 -4.76 113.70 117.79 3iwe s SER 415 Ca 0.76 2.26 -0.29 0.00 0.48 0.00 0.00 55.95 59.16 3iwe s SER 415 Cb -0.76 -2.58 -0.03 0.00 0.10 0.00 0.00 66.02 62.76 3iwe s SER 415 CO 0.45 -2.17 1.48 -0.22 0.98 0.00 0.00 173.24 173.76 3iwe s LEU 416 N -5.18 4.12 -0.43 2.42 0.20 0.49 -4.87 118.68 115.43 3iwe s LEU 416 Ca 0.72 1.80 -0.22 0.00 0.69 0.00 0.00 54.13 57.12 3iwe s LEU 416 Cb -0.27 -3.54 0.02 0.00 -0.43 0.00 0.00 46.19 41.98 3iwe s LEU 416 CO 0.45 -0.98 0.72 -0.54 -0.29 0.00 0.00 176.35 175.71 3iwe s LYS 417 N 4.05 3.41 -0.02 1.98 -0.14 -1.26 -0.48 119.74 127.28 3iwe s LYS 417 Ca 0.65 -0.16 0.06 0.00 -1.36 0.00 0.00 55.97 55.17 3iwe s LYS 417 Cb -0.26 -3.92 -0.02 0.00 -1.68 0.00 0.00 37.83 31.95 3iwe s LYS 417 CO 0.24 -1.02 -0.21 0.00 -0.76 0.00 0.00 175.35 173.60 3iwe s ALA 418 N 3.04 2.40 -0.02 5.17 0.00 -1.24 0.22 121.76 131.35 3iwe s ALA 418 Ca 0.27 -1.09 0.00 0.00 0.00 0.00 0.00 51.96 51.14 3iwe s ALA 418 Cb -0.13 -0.72 -0.04 0.00 0.00 0.00 0.00 23.12 22.23 3iwe s ALA 418 CO 0.20 0.54 0.03 0.00 0.00 0.00 0.00 175.76 176.54 3iwe s ALA 419 N -0.70 3.41 -0.13 0.00 0.00 -0.57 -1.89 121.76 121.89 3iwe s ALA 419 Ca 0.11 -0.89 0.02 0.00 0.00 0.00 0.00 51.96 51.20 3iwe s ALA 419 Cb -0.10 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.56 3iwe s ALA 419 CO 0.00 0.65 -0.19 0.71 0.00 0.00 0.00 175.76 176.93 3iwe s TYR 420 N -1.10 2.42 0.21 0.00 2.02 -0.15 -0.28 117.35 120.46 3iwe s TYR 420 Ca 0.20 -1.20 -0.32 0.00 -0.37 0.00 0.00 57.07 55.38 3iwe s TYR 420 Cb -0.12 -1.67 -0.13 0.00 -0.40 0.00 0.00 41.96 39.64 3iwe s TYR 420 CO 0.10 -0.57 1.56 0.45 -1.57 0.00 0.00 175.55 175.52 3iwe n SER 421 N 4.12 3.24 0.00 2.29 2.88 0.23 -0.97 113.62 125.41 3iwe n SER 421 Ca -0.20 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 3iwe n SER 421 Cb 0.51 -1.47 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 3iwe n SER 421 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3iwe n PHE 422 N 2.90 0.00 -4.98 0.66 7.35 -0.45 -4.86 117.46 118.09 3iwe n PHE 422 Ca 0.14 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.51 3iwe n PHE 422 Cb 0.32 0.00 -0.16 0.00 0.35 0.00 0.00 39.48 39.99 3iwe n PHE 422 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3iwe s TYR 423 N 1.36 2.70 -0.17 -5.13 2.02 -1.26 -4.88 117.35 111.99 3iwe s TYR 423 Ca 0.00 -0.82 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 3iwe s TYR 423 Cb 0.00 -1.78 0.03 0.00 -0.40 0.00 0.00 41.96 39.81 3iwe s TYR 423 CO 0.00 -0.30 -0.10 -0.80 -1.57 0.00 0.00 175.55 172.77 3iwe s ASN 424 N 0.34 2.91 -0.13 2.29 0.01 -1.26 -2.58 114.94 116.52 3iwe s ASN 424 Ca -0.15 -0.64 0.01 0.00 -0.71 0.00 0.00 52.86 51.37 3iwe s ASN 424 Cb -0.17 -1.10 -0.01 0.00 0.41 0.00 0.00 41.25 40.38 3iwe s ASN 424 CO 0.07 -0.12 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.68 3iwe s VAL 425 N 1.51 2.68 -0.06 1.60 1.01 0.30 -5.00 120.40 122.44 3iwe s VAL 425 Ca 0.02 -0.79 0.05 0.00 0.00 0.00 0.00 61.98 61.26 3iwe s VAL 425 Cb -0.14 -2.10 -0.00 0.00 0.00 0.00 0.00 36.38 34.13 3iwe s VAL 425 CO -0.09 0.53 -0.20 -1.38 0.00 0.00 0.00 175.10 173.96 3iwe s HIS 426 N 0.48 2.04 0.00 5.22 -3.43 -1.26 -1.07 115.29 117.27 3iwe s HIS 426 Ca -0.11 -0.65 0.00 0.00 -0.80 0.00 0.00 55.06 53.49 3iwe s HIS 426 Cb -0.16 -1.37 0.00 0.00 -1.43 0.00 0.00 32.58 29.62 3iwe s HIS 426 CO 0.05 -0.23 0.00 0.25 -2.00 0.00 0.00 174.74 172.81 3iwe n THR 427 N 3.20 0.00 0.00 -5.38 -2.24 -1.12 -4.92 114.28 103.82 3iwe n THR 427 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3iwe n THR 427 Cb 0.53 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3iwe n THR 427 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iwe n GLN 428 N -1.11 2.52 -4.21 -0.78 1.13 -1.26 -5.04 117.38 108.62 3iwe n GLN 428 Ca 0.00 0.00 -0.34 0.00 -1.94 0.00 0.00 57.00 54.72 3iwe n GLN 428 Cb 0.10 -0.26 -0.10 0.00 0.11 0.00 0.00 30.24 30.09 3iwe n GLN 428 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3iwe s THR 429 N -0.20 4.40 0.33 5.09 2.01 -1.26 -5.08 115.64 120.93 3iwe s THR 429 Ca 0.00 -0.18 -0.29 0.00 0.31 0.00 0.00 61.69 61.53 3iwe s THR 429 Cb 0.00 -2.94 -0.12 0.00 0.01 0.00 0.00 72.50 69.45 3iwe s THR 429 CO 0.00 0.50 1.40 -2.65 -0.69 0.00 0.00 174.62 173.18 3iwe n PRO 430 N 3.25 2.35 -0.31 4.92 -0.02 -1.26 -4.78 135.00 139.15 3iwe n PRO 430 Ca -0.17 0.83 0.06 0.00 -2.02 0.00 0.00 63.50 62.20 3iwe n PRO 430 Cb 0.53 -2.49 0.22 0.00 -0.02 0.00 0.00 33.50 31.74 3iwe n PRO 430 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iwe h LEU 431 N 3.15 0.66 -0.67 2.45 5.85 -1.98 -1.32 115.31 123.45 3iwe h LEU 431 Ca -0.47 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.40 3iwe h LEU 431 Cb 1.26 -0.05 -0.07 0.00 0.37 0.00 0.00 40.66 42.18 3iwe h LEU 431 CO 0.67 0.32 0.34 0.25 -0.34 0.00 0.00 178.44 179.67 3iwe h LEU 432 N 0.75 0.45 -0.34 2.25 5.85 -1.91 0.38 115.31 122.73 3iwe h LEU 432 Ca 0.46 0.05 -0.08 0.00 0.84 0.00 0.00 57.88 59.15 3iwe h LEU 432 Cb 0.56 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 3iwe h LEU 432 CO -0.31 0.27 -0.11 0.44 -0.34 0.00 0.00 178.44 178.38 3iwe h ASP 433 N 0.59 0.69 -0.49 1.25 3.32 -1.68 -1.33 116.42 118.76 3iwe h ASP 433 Ca 0.32 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 57.01 3iwe h ASP 433 Cb 0.31 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3iwe h ASP 433 CO -0.25 0.91 0.31 0.25 -1.72 0.00 0.00 179.24 178.75 3iwe h LEU 434 N 0.46 0.52 -0.81 1.55 5.85 -0.76 -2.10 115.31 120.02 3iwe h LEU 434 Ca 0.08 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 3iwe h LEU 434 Cb 0.63 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 3iwe h LEU 434 CO 0.04 0.37 -0.54 0.24 -0.34 0.00 0.00 178.44 178.22 3iwe h MET 435 N 0.63 0.16 -0.54 1.25 2.86 -0.90 -1.28 114.93 117.11 3iwe h MET 435 Ca 0.19 -0.10 0.03 0.00 -2.06 0.00 0.00 59.70 57.76 3iwe h MET 435 Cb -0.03 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 3iwe h MET 435 CO -0.06 0.66 0.32 0.77 1.06 0.00 0.00 176.91 179.65 3iwe h SER 436 N 0.13 0.50 -0.10 1.22 0.02 -0.98 -1.90 113.55 112.43 3iwe h SER 436 Ca 0.00 0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 3iwe h SER 436 Cb 0.99 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3iwe h SER 436 CO 0.08 0.35 -0.27 0.44 -1.14 0.00 0.00 176.83 176.29 3iwe h ASP 437 N 0.62 0.57 -0.65 3.07 3.32 -1.08 -2.18 116.42 120.09 3iwe h ASP 437 Ca 0.22 -0.20 0.03 0.00 0.02 0.00 0.00 57.03 57.11 3iwe h ASP 437 Cb 0.05 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 3iwe h ASP 437 CO -0.11 0.82 0.39 0.00 -1.72 0.00 0.00 179.24 178.62 3iwe h ALA 438 N 1.23 0.85 -0.46 3.45 0.00 -0.87 0.44 119.26 123.89 3iwe h ALA 438 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3iwe h ALA 438 Cb 0.72 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3iwe h ALA 438 CO 0.05 0.13 0.21 -0.07 0.00 0.00 0.00 179.25 179.58 3iwe h LEU 439 N 0.76 0.62 -0.40 0.00 3.38 -1.11 -1.17 115.31 117.39 3iwe h LEU 439 Ca 0.27 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3iwe h LEU 439 Cb 0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3iwe h LEU 439 CO -0.12 0.59 0.25 0.58 0.09 0.00 0.00 178.44 179.83 3iwe h VAL 440 N 0.61 1.12 -0.41 1.22 2.07 -1.00 -1.00 116.25 118.85 3iwe h VAL 440 Ca 0.16 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3iwe h VAL 440 Cb 0.15 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3iwe h VAL 440 CO -0.02 0.12 0.22 -0.07 0.02 0.00 0.00 177.57 177.84 3iwe h LEU 441 N 0.53 0.51 -0.38 2.57 3.38 -0.78 0.07 115.31 121.21 3iwe h LEU 441 Ca 0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iwe h LEU 441 Cb -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3iwe h LEU 441 CO -0.03 0.46 0.23 0.00 0.09 0.00 0.00 178.44 179.19 3iwe h ALA 442 N 1.07 0.49 -0.34 1.53 0.00 -1.08 -0.52 119.26 120.42 3iwe h ALA 442 Ca 0.14 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3iwe h ALA 442 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3iwe h ALA 442 CO -0.02 -0.01 0.14 -0.22 0.00 0.00 0.00 179.25 179.14 3iwe h LYS 443 N 0.50 0.30 -0.97 0.00 1.63 -1.01 -1.76 116.57 115.26 3iwe h LYS 443 Ca 0.14 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.04 3iwe h LYS 443 Cb 0.01 -0.07 -0.08 0.00 -0.60 0.00 0.00 32.23 31.49 3iwe h LYS 443 CO -0.03 0.20 0.62 0.52 -3.45 0.00 0.00 179.45 177.31 3iwe h MET 444 N 0.30 0.89 -0.02 1.90 2.86 -0.61 -1.37 114.93 118.89 3iwe h MET 444 Ca 0.15 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3iwe h MET 444 Cb 0.10 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.55 3iwe h MET 444 CO -0.13 0.59 0.00 1.63 1.06 0.00 0.00 176.91 180.06 3iwe n LYS 445 N -4.60 1.13 -0.55 1.72 5.02 -0.24 -4.90 118.16 115.75 3iwe n LYS 445 Ca 0.18 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3iwe n LYS 445 Cb 0.38 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3iwe n LYS 445 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iwe n GLY 446 N 0.93 0.69 3.78 0.72 0.00 -0.52 -5.06 105.19 105.73 3iwe n GLY 446 Ca 0.18 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 3iwe n GLY 446 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iwe s PHE 447 N -2.00 2.88 -0.08 1.61 0.08 -0.73 -4.89 117.98 114.84 3iwe s PHE 447 Ca 0.00 1.56 0.13 0.00 0.12 0.00 0.00 56.93 58.74 3iwe s PHE 447 Cb 0.00 -3.20 -0.23 0.00 -0.57 0.00 0.00 43.02 39.01 3iwe s PHE 447 CO 0.00 -1.19 0.53 -0.25 -0.10 0.00 0.00 175.22 174.21 3iwe n ASP 448 N -0.95 0.76 -3.79 1.36 10.43 0.13 -4.49 116.55 120.01 3iwe n ASP 448 Ca 0.10 0.32 -0.13 0.00 2.57 0.00 0.00 54.79 57.65 3iwe n ASP 448 Cb 0.51 0.11 -0.09 0.00 1.84 0.00 0.00 41.12 43.48 3iwe n ASP 448 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3iwe s VAL 449 N -2.57 0.05 -0.16 2.53 0.11 -1.05 -1.30 120.40 118.00 3iwe s VAL 449 Ca -0.07 -0.45 0.00 0.00 -2.93 0.00 0.00 61.98 58.54 3iwe s VAL 449 Cb 0.08 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.40 3iwe s VAL 449 CO 0.82 -0.25 -0.16 0.12 -3.33 0.00 0.00 175.10 172.30 3iwe s PHE 450 N -1.08 2.78 -0.07 1.54 5.36 -0.52 -1.50 117.98 124.49 3iwe s PHE 450 Ca -0.11 -1.17 0.01 0.00 -0.96 0.00 0.00 56.93 54.70 3iwe s PHE 450 Cb -0.05 -1.90 -0.03 0.00 -0.34 0.00 0.00 43.02 40.70 3iwe s PHE 450 CO 0.03 -0.55 -0.07 -0.80 -1.46 0.00 0.00 175.22 172.37 3iwe s ASN 451 N 0.94 4.65 0.02 6.13 0.01 0.61 0.05 114.94 127.37 3iwe s ASN 451 Ca -0.03 -0.02 -0.04 0.00 -0.71 0.00 0.00 52.86 52.06 3iwe s ASN 451 Cb -0.15 -1.17 -0.01 0.00 0.41 0.00 0.00 41.25 40.33 3iwe s ASN 451 CO -0.03 0.36 0.07 0.00 -1.51 0.00 0.00 177.10 175.99 3iwe s ALA 452 N -0.81 -0.06 0.60 0.60 0.00 -0.53 -0.60 121.76 120.96 3iwe s ALA 452 Ca 0.12 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 3iwe s ALA 452 Cb -0.11 0.18 0.04 0.00 0.00 0.00 0.00 23.12 23.23 3iwe s ALA 452 CO 0.01 -0.24 0.87 -0.51 0.00 0.00 0.00 175.76 175.89 3iwe s LEU 453 N -1.76 3.14 -0.11 0.00 1.43 -1.26 -0.16 118.68 119.96 3iwe s LEU 453 Ca -0.10 0.29 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 3iwe s LEU 453 Cb -0.05 -3.08 0.42 0.00 0.03 0.00 0.00 46.19 43.50 3iwe s LEU 453 CO -0.02 -1.25 1.17 -0.90 0.23 0.00 0.00 176.35 175.58 3iwe n ASP 454 N -2.56 3.30 -3.67 2.29 5.75 -0.83 -4.78 116.55 116.05 3iwe n ASP 454 Ca 0.07 -2.42 -0.24 0.00 -0.01 0.00 0.00 54.79 52.19 3iwe n ASP 454 Cb 0.59 -0.55 0.16 0.00 -1.03 0.00 0.00 41.12 40.29 3iwe n ASP 454 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3iwe n LEU 455 N 0.37 0.00 0.00 -2.12 -0.00 -1.26 -4.22 117.00 109.77 3iwe n LEU 455 Ca 0.14 -1.30 0.00 0.00 -0.00 0.00 0.00 56.01 54.85 3iwe n LEU 455 Cb 0.69 -0.80 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 3iwe n LEU 455 CO 0.16 -1.23 0.00 0.23 -0.00 0.00 0.00 177.39 176.55 3iwe n MET 456 N -3.21 0.00 -0.62 1.47 2.81 -0.72 -1.21 117.12 115.64 3iwe n MET 456 Ca 0.14 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 56.09 3iwe n MET 456 Cb 0.48 0.00 0.30 0.00 -0.71 0.00 0.00 33.22 33.29 3iwe n MET 456 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3iwe n GLU 457 N 14.00 3.69 -0.06 0.03 1.02 -1.26 -4.38 120.64 133.68 3iwe n GLU 457 Ca 0.00 -2.35 0.04 0.00 -0.02 0.00 0.00 57.16 54.83 3iwe n GLU 457 Cb 0.00 -1.97 0.39 0.00 -0.02 0.00 0.00 31.44 29.84 3iwe n GLU 457 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3iwe h ASN 458 N 3.12 0.55 -0.03 1.62 -0.26 -1.41 -1.33 115.58 117.84 3iwe h ASN 458 Ca 0.00 -0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.74 3iwe h ASN 458 Cb 1.48 -0.13 -0.00 0.00 -1.06 0.00 0.00 38.32 38.60 3iwe h ASN 458 CO 0.31 0.39 0.10 0.11 -1.06 0.00 0.00 177.43 177.28 3iwe h LYS 459 N 0.65 0.00 0.00 0.81 1.57 -1.78 -1.30 116.57 116.52 3iwe h LYS 459 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3iwe h LYS 459 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3iwe h LYS 459 CO -0.04 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.63 3iwe h THR 460 N 0.00 0.00 0.00 -0.16 1.35 -1.61 -3.35 112.91 109.14 3iwe h THR 460 Ca 0.02 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3iwe h THR 460 Cb 0.21 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 3iwe h THR 460 CO -0.00 0.00 -0.42 2.22 -0.25 0.00 0.00 175.52 177.07 3iwe n PHE 461 N -2.37 0.00 0.14 4.73 1.16 -0.55 -4.82 117.46 115.74 3iwe n PHE 461 Ca 0.02 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.47 3iwe n PHE 461 Cb 0.25 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.06 3iwe n PHE 461 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3iwe h LEU 462 N 0.00 -0.87 -0.36 5.98 3.38 -1.53 -0.93 115.31 120.97 3iwe h LEU 462 Ca 0.00 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3iwe h LEU 462 Cb 0.00 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 3iwe h LEU 462 CO 0.00 -0.41 -0.33 -0.33 0.09 0.00 0.00 178.44 177.46 3iwe h GLU 463 N -0.56 0.87 -0.52 1.13 5.08 -1.81 -0.76 114.58 118.01 3iwe h GLU 463 Ca 0.02 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 57.97 3iwe h GLU 463 Cb 0.57 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 3iwe h GLU 463 CO -0.15 1.09 0.34 0.87 -1.00 0.00 0.00 179.01 180.16 3iwe h LYS 464 N 0.67 0.57 -0.63 2.33 1.57 -1.84 -1.51 116.57 117.73 3iwe h LYS 464 Ca 0.06 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3iwe h LYS 464 Cb 0.92 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3iwe h LYS 464 CO 0.08 0.38 0.00 1.28 -0.57 0.00 0.00 179.45 180.62 3iwe n LEU 465 N -4.47 4.04 -0.95 2.94 4.77 -0.37 -4.94 117.00 118.03 3iwe n LEU 465 Ca 0.06 -2.04 -0.09 0.00 -0.03 0.00 0.00 56.01 53.90 3iwe n LEU 465 Cb 0.15 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 3iwe n LEU 465 CO 0.35 0.67 -0.11 0.29 -1.33 0.00 0.00 177.39 177.26 3iwe n LYS 466 N 0.85 -0.72 -2.18 3.23 5.02 -0.57 -5.01 118.16 118.79 3iwe n LYS 466 Ca 0.21 0.60 -0.36 0.00 -2.02 0.00 0.00 58.31 56.74 3iwe n LYS 466 Cb 0.77 -4.58 0.01 0.00 -0.02 0.00 0.00 35.03 31.20 3iwe n LYS 466 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3iwe s PHE 467 N -2.43 2.68 0.01 2.13 0.08 -0.30 -4.63 117.98 115.52 3iwe s PHE 467 Ca 0.00 1.52 0.06 0.00 0.12 0.00 0.00 56.93 58.63 3iwe s PHE 467 Cb 0.00 -3.41 -0.03 0.00 -0.57 0.00 0.00 43.02 39.01 3iwe s PHE 467 CO 0.00 -1.76 -0.16 0.20 -0.10 0.00 0.00 175.22 173.40 3iwe s GLY 468 N -1.48 1.56 0.32 4.36 0.00 0.15 -4.61 107.32 107.61 3iwe s GLY 468 Ca 0.69 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 44.02 3iwe s GLY 468 CO 0.33 -0.96 1.41 -1.50 0.00 0.00 0.00 173.10 172.38 3iwe s ILE 469 N -0.86 2.49 0.70 0.90 2.07 -1.26 -0.61 121.20 124.64 3iwe s ILE 469 Ca 0.14 0.46 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 3iwe s ILE 469 Cb -0.11 -3.30 0.13 0.00 0.13 0.00 0.00 42.46 39.31 3iwe s ILE 469 CO 0.04 0.10 0.97 -0.83 -1.91 0.00 0.00 174.94 173.31 3iwe s GLY 470 N -0.10 1.75 0.32 1.50 0.00 0.44 -4.84 107.32 106.39 3iwe s GLY 470 Ca 0.54 -1.83 -0.05 0.00 0.00 0.00 0.00 44.72 43.38 3iwe s GLY 470 CO 0.52 -1.26 0.59 0.99 0.00 0.00 0.00 173.10 173.94 3iwe s ASP 471 N -4.74 6.42 0.42 1.64 1.01 -1.26 -4.84 116.67 115.32 3iwe s ASP 471 Ca 0.66 0.74 0.00 0.00 0.71 0.00 0.00 52.55 54.66 3iwe s ASP 471 Cb -0.05 -2.15 0.00 0.00 1.01 0.00 0.00 42.92 41.73 3iwe s ASP 471 CO 0.44 -0.25 0.00 0.61 0.21 0.00 0.00 175.17 176.18 3iwe n GLY 472 N -1.14 -3.36 3.85 0.21 0.00 -1.26 -4.79 105.19 98.70 3iwe n GLY 472 Ca -0.02 -1.10 -0.21 0.00 0.00 0.00 0.00 46.02 44.69 3iwe n GLY 472 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iwe s ASN 473 N -5.61 5.12 -0.24 1.61 -0.87 -1.26 -4.15 114.94 109.53 3iwe s ASN 473 Ca 0.00 -0.65 0.01 0.00 -1.57 0.00 0.00 52.86 50.66 3iwe s ASN 473 Cb 0.00 -0.75 0.04 0.00 -0.02 0.00 0.00 41.25 40.52 3iwe s ASN 473 CO 0.00 -0.50 -0.12 -0.22 -2.57 0.00 0.00 177.10 173.69 3iwe s LEU 474 N -4.05 3.06 -0.01 0.60 2.96 -0.19 -4.38 118.68 116.67 3iwe s LEU 474 Ca 0.44 -1.09 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 3iwe s LEU 474 Cb -0.04 -1.56 -0.06 0.00 0.50 0.00 0.00 46.19 45.03 3iwe s LEU 474 CO 0.27 -0.13 0.46 -1.10 -1.32 0.00 0.00 176.35 174.52 3iwe s GLN 475 N 1.20 4.08 -0.13 1.98 -1.52 0.47 -0.79 119.66 124.95 3iwe s GLN 475 Ca -0.03 0.48 -0.05 0.00 -1.95 0.00 0.00 55.36 53.81 3iwe s GLN 475 Cb -0.17 -3.28 -0.04 0.00 -0.22 0.00 0.00 33.01 29.30 3iwe s GLN 475 CO -0.07 0.56 0.06 0.71 -0.25 0.00 0.00 175.29 176.30 3iwe s TYR 476 N -0.68 3.32 0.06 0.91 2.02 0.36 -1.91 117.35 121.43 3iwe s TYR 476 Ca 0.25 0.25 0.04 0.00 -0.37 0.00 0.00 57.07 57.24 3iwe s TYR 476 Cb -0.17 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 3iwe s TYR 476 CO 0.14 0.43 -0.11 0.71 -1.57 0.00 0.00 175.55 175.14 3iwe s TYR 477 N -0.45 1.00 0.02 2.71 2.02 0.50 -0.55 117.35 122.60 3iwe s TYR 477 Ca 0.10 -0.49 0.06 0.00 -0.37 0.00 0.00 57.07 56.37 3iwe s TYR 477 Cb -0.12 -0.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 3iwe s TYR 477 CO 0.02 -0.00 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.32 3iwe s LEU 478 N -1.72 2.68 -0.21 -1.29 1.43 -1.26 -1.46 118.68 116.84 3iwe s LEU 478 Ca -0.05 -0.36 -0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3iwe s LEU 478 Cb -0.10 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.53 3iwe s LEU 478 CO 0.01 0.27 0.08 -0.47 0.23 0.00 0.00 176.35 176.47 3iwe s TYR 479 N -0.90 3.20 -1.40 0.29 5.04 0.70 -4.52 117.35 119.75 3iwe s TYR 479 Ca 0.14 -0.04 -0.05 0.00 -2.44 0.00 0.00 57.07 54.68 3iwe s TYR 479 Cb -0.11 -2.15 0.01 0.00 0.35 0.00 0.00 41.96 40.06 3iwe s TYR 479 CO 0.05 -0.01 0.65 -1.71 -1.34 0.00 0.00 175.55 173.19 3iwe n ASN 480 N 4.06 -5.82 -3.42 4.32 5.15 -0.31 -2.80 115.26 116.43 3iwe n ASN 480 Ca -0.16 -0.30 -0.15 0.00 -0.60 0.00 0.00 54.58 53.37 3iwe n ASN 480 Cb 0.52 -4.61 -0.10 0.00 -0.53 0.00 0.00 39.78 35.05 3iwe n ASN 480 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3iwe s TRP 481 N -3.16 -0.52 -0.17 1.20 -0.11 -1.26 -3.66 118.94 111.26 3iwe s TRP 481 Ca 0.32 0.31 -0.16 0.00 1.22 0.00 0.00 56.10 57.79 3iwe s TRP 481 Cb -0.14 -0.26 -0.04 0.00 -1.50 0.00 0.00 33.47 31.52 3iwe s TRP 481 CO 0.40 -0.74 0.40 0.21 -4.62 0.00 0.00 176.95 172.61 3iwe s LYS 482 N 2.41 4.23 0.20 5.86 2.20 0.17 -4.79 119.74 130.02 3iwe s LYS 482 Ca 0.09 0.26 -0.19 0.00 -0.36 0.00 0.00 55.97 55.77 3iwe s LYS 482 Cb -0.15 -3.49 0.03 0.00 -1.51 0.00 0.00 37.83 32.71 3iwe s LYS 482 CO -0.19 0.06 0.56 0.00 -0.36 0.00 0.00 175.35 175.41 3iwe s PRO 484 N -3.86 3.54 0.79 0.00 0.02 -1.25 -4.82 135.00 129.42 3iwe s PRO 484 Ca 0.08 2.22 -0.11 0.00 0.02 0.00 0.00 61.00 63.21 3iwe s PRO 484 Cb -0.02 -2.49 0.07 0.00 0.02 0.00 0.00 34.50 32.08 3iwe s PRO 484 CO -0.04 -0.87 1.09 -1.54 -0.33 0.00 0.00 177.00 175.31 3iwe s SER 485 N -0.82 4.42 0.15 2.53 1.04 -1.26 -4.99 113.70 114.77 3iwe s SER 485 Ca 0.65 1.69 0.03 0.00 0.48 0.00 0.00 55.95 58.80 3iwe s SER 485 Cb -0.40 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.27 3iwe s SER 485 CO 0.49 -2.07 -0.06 0.00 0.98 0.00 0.00 173.24 172.58 3iwe s MET 486 N -4.95 1.04 0.72 4.02 0.23 0.13 -5.01 119.30 115.49 3iwe s MET 486 Ca 0.61 -1.46 -0.11 0.00 -1.03 0.00 0.00 55.69 53.70 3iwe s MET 486 Cb -0.17 -0.45 0.03 0.00 -1.53 0.00 0.00 34.83 32.71 3iwe s MET 486 CO 0.56 -0.00 1.07 0.20 -2.03 0.00 0.00 175.02 174.82 3iwe s GLY 487 N -3.15 1.66 0.35 3.16 0.00 -1.26 -4.37 107.32 103.70 3iwe s GLY 487 Ca 0.18 0.04 0.07 0.00 0.00 0.00 0.00 44.72 45.01 3iwe s GLY 487 CO 0.01 0.38 1.89 0.00 0.00 0.00 0.00 173.10 175.38 3iwe h ALA 488 N -0.84 1.75 0.00 3.20 0.00 -1.89 -1.27 119.26 120.22 3iwe h ALA 488 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iwe h ALA 488 Cb 1.22 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3iwe h ALA 488 CO 0.57 0.05 0.00 1.05 0.00 0.00 0.00 179.25 180.92 3iwe h GLU 489 N 0.76 0.00 -0.01 0.00 9.09 -1.76 -2.17 114.58 120.49 3iwe h GLU 489 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 3iwe h GLU 489 Cb 0.54 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.64 3iwe h GLU 489 CO -0.18 0.00 -0.59 1.63 0.05 0.00 0.00 179.01 179.93 3iwe n LYS 490 N -2.39 0.95 -2.62 1.06 4.76 -0.48 -3.86 118.16 115.57 3iwe n LYS 490 Ca 0.00 -0.78 -0.43 0.00 -2.87 0.00 0.00 58.31 54.23 3iwe n LYS 490 Cb 0.14 -1.48 -0.02 0.00 -1.84 0.00 0.00 35.03 31.82 3iwe n LYS 490 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3iwe s VAL 491 N -2.59 4.62 -0.33 -0.18 1.01 -0.82 -0.42 120.40 121.70 3iwe s VAL 491 Ca 0.16 1.92 0.11 0.00 0.00 0.00 0.00 61.98 64.18 3iwe s VAL 491 Cb 0.18 -4.24 0.46 0.00 0.00 0.00 0.00 36.38 32.78 3iwe s VAL 491 CO 0.64 -0.06 1.12 0.61 0.00 0.00 0.00 175.10 177.41 3iwe n GLY 492 N 3.24 4.77 2.82 4.51 0.00 0.94 -1.75 105.19 119.73 3iwe n GLY 492 Ca 0.10 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.74 3iwe n GLY 492 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iwe s LEU 493 N -3.57 1.08 -0.11 0.99 2.96 -1.18 -4.15 118.68 114.71 3iwe s LEU 493 Ca 0.42 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 54.31 3iwe s LEU 493 Cb 0.40 -0.28 0.01 0.00 0.50 0.00 0.00 46.19 46.81 3iwe s LEU 493 CO -0.03 -0.11 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.02 3iwe s VAL 494 N 1.16 1.67 0.20 1.68 1.01 -1.26 -5.08 120.40 119.78 3iwe s VAL 494 Ca -0.08 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.22 3iwe s VAL 494 Cb -0.13 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3iwe s VAL 494 CO -0.02 0.47 0.04 -0.76 0.00 0.00 0.00 175.10 174.84 3iwe s LEU 495 N 0.84 3.43 0.00 3.92 1.43 -1.26 -5.07 118.68 121.96 3iwe s LEU 495 Ca -0.09 -0.38 0.29 0.00 -1.03 0.00 0.00 54.13 52.92 3iwe s LEU 495 Cb -0.16 -2.03 1.76 0.00 0.03 0.00 0.00 46.19 45.79 3iwe s LEU 495 CO 0.00 0.05 2.09 0.00 0.23 0.00 0.00 176.35 178.73