#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iu1 s SER 116 N 0.00 6.32 -0.36 6.15 1.04 -1.26 -5.08 113.70 120.51 3iu1 s SER 116 Ca 0.00 0.13 0.01 0.00 0.48 0.00 0.00 55.95 56.58 3iu1 s SER 116 Cb 0.00 -1.89 0.11 0.00 0.10 0.00 0.00 66.02 64.34 3iu1 s SER 116 CO 0.00 0.01 0.13 -0.31 0.98 0.00 0.00 173.24 174.05 3iu1 s TYR 117 N -1.82 2.33 0.29 5.02 2.02 -1.26 -5.01 117.35 118.92 3iu1 s TYR 117 Ca 0.34 -2.28 0.04 0.00 -0.37 0.00 0.00 57.07 54.81 3iu1 s TYR 117 Cb -0.10 -2.10 0.73 0.00 -0.40 0.00 0.00 41.96 40.09 3iu1 s TYR 117 CO 0.29 -0.86 1.70 0.37 -1.57 0.00 0.00 175.55 175.47 3iu1 h GLN 118 N 7.56 0.39 0.00 -0.62 4.15 -2.00 0.10 115.11 124.70 3iu1 h GLN 118 Ca -0.08 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.13 3iu1 h GLN 118 Cb 0.99 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.56 3iu1 h GLN 118 CO 0.50 0.26 -1.09 0.35 -1.93 0.00 0.00 178.83 176.92 3iu1 h PHE 119 N 0.41 0.00 0.00 3.99 3.57 -2.02 -3.41 116.94 119.48 3iu1 h PHE 119 Ca 0.56 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.03 3iu1 h PHE 119 Cb 1.07 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.80 3iu1 h PHE 119 CO -0.13 1.25 -0.15 -1.49 -2.23 0.00 0.00 178.31 175.55 3iu1 h TRP 120 N -1.00 0.00 0.00 0.41 4.06 -1.93 -1.71 115.95 115.78 3iu1 h TRP 120 Ca -0.28 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.67 3iu1 h TRP 120 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3iu1 h TRP 120 CO 0.06 0.15 0.00 -0.44 -3.56 0.00 0.00 178.44 174.65 3iu1 h ASP 121 N 0.00 0.00 0.46 -3.49 3.32 -1.20 -2.34 116.42 113.17 3iu1 h ASP 121 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iu1 h ASP 121 Cb 0.46 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.01 3iu1 h ASP 121 CO 0.02 0.00 -0.23 0.35 -1.72 0.00 0.00 179.24 177.66 3iu1 n THR 122 N -3.00 0.00 -3.93 0.35 -2.24 -0.64 -4.95 114.28 99.86 3iu1 n THR 122 Ca -0.00 -0.05 -0.28 0.00 -2.27 0.00 0.00 64.05 61.44 3iu1 n THR 122 Cb 0.22 0.05 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 3iu1 n THR 122 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iu1 s GLN 123 N -2.69 3.44 -1.07 -0.78 -1.52 -0.88 -4.99 119.66 111.17 3iu1 s GLN 123 Ca 0.21 -0.52 -0.16 0.00 -1.95 0.00 0.00 55.36 52.94 3iu1 s GLN 123 Cb 0.19 -2.99 -0.08 0.00 -0.22 0.00 0.00 33.01 29.91 3iu1 s GLN 123 CO 0.55 0.56 2.13 -0.35 -0.25 0.00 0.00 175.29 177.93 3iu1 n PRO 124 N -0.17 2.18 -4.15 2.91 -0.04 -1.26 -4.83 135.00 129.64 3iu1 n PRO 124 Ca -0.06 -2.03 -0.16 0.00 -0.04 0.00 0.00 63.50 61.21 3iu1 n PRO 124 Cb 0.53 -2.94 -0.11 0.00 -0.04 0.00 0.00 33.50 30.93 3iu1 n PRO 124 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3iu1 s VAL 125 N 3.97 0.94 0.77 0.52 -7.23 -1.26 -1.11 120.40 117.00 3iu1 s VAL 125 Ca 0.52 -1.38 -0.12 0.00 -1.81 0.00 0.00 61.98 59.20 3iu1 s VAL 125 Cb 0.14 -1.08 0.06 0.00 0.56 0.00 0.00 36.38 36.06 3iu1 s VAL 125 CO 0.02 -0.37 1.12 -2.84 -0.31 0.00 0.00 175.10 172.71 3iu1 s PRO 126 N -2.07 2.11 0.28 4.82 0.02 -1.26 -4.92 135.00 133.98 3iu1 s PRO 126 Ca -0.01 1.37 -0.29 0.00 0.02 0.00 0.00 61.00 62.09 3iu1 s PRO 126 Cb -0.08 -1.87 -0.09 0.00 0.02 0.00 0.00 34.50 32.49 3iu1 s PRO 126 CO 0.01 -1.78 1.02 0.15 -0.33 0.00 0.00 177.00 176.07 3iu1 s LYS 127 N -4.55 4.66 0.39 5.54 -0.14 -1.26 -3.85 119.74 120.54 3iu1 s LYS 127 Ca 0.65 1.60 -0.27 0.00 -1.36 0.00 0.00 55.97 56.59 3iu1 s LYS 127 Cb -0.21 -3.10 -0.10 0.00 -1.68 0.00 0.00 37.83 32.75 3iu1 s LYS 127 CO 0.52 0.29 1.42 -0.51 -0.76 0.00 0.00 175.35 176.30 3iu1 s LEU 128 N -1.56 4.27 0.00 3.17 1.43 -1.26 -2.98 118.68 121.74 3iu1 s LEU 128 Ca 0.45 2.90 0.00 0.00 -1.03 0.00 0.00 54.13 56.46 3iu1 s LEU 128 Cb -0.27 -3.77 0.00 0.00 0.03 0.00 0.00 46.19 42.18 3iu1 s LEU 128 CO 0.34 -0.90 0.00 0.61 0.23 0.00 0.00 176.35 176.64 3iu1 n GLY 129 N 0.57 0.49 3.45 -3.19 0.00 -1.26 -5.02 105.19 100.24 3iu1 n GLY 129 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3iu1 n GLY 129 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3iu1 s GLU 130 N -0.25 3.42 0.01 1.61 2.56 -1.16 -5.09 118.70 119.80 3iu1 s GLU 130 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 54.97 54.07 3iu1 s GLU 130 Cb 0.00 -2.75 -0.04 0.00 2.00 0.00 0.00 34.13 33.35 3iu1 s GLU 130 CO 0.00 0.29 1.05 0.08 -0.56 0.00 0.00 175.26 176.11 3iu1 s VAL 131 N 0.20 4.62 -0.22 3.70 1.01 -1.26 -4.90 120.40 123.55 3iu1 s VAL 131 Ca -0.05 1.88 -0.09 0.00 0.00 0.00 0.00 61.98 63.73 3iu1 s VAL 131 Cb -0.14 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3iu1 s VAL 131 CO 0.04 0.14 0.11 -0.69 0.00 0.00 0.00 175.10 174.70 3iu1 s VAL 132 N 1.08 5.02 -0.45 2.92 1.01 -1.26 -4.96 120.40 123.76 3iu1 s VAL 132 Ca 0.54 0.06 0.11 0.00 0.00 0.00 0.00 61.98 62.69 3iu1 s VAL 132 Cb -0.23 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 3iu1 s VAL 132 CO 0.28 0.39 0.44 0.59 0.00 0.00 0.00 175.10 176.79 3iu1 n ASN 133 N 4.09 0.78 -4.97 3.32 4.13 -1.26 -3.79 115.26 117.55 3iu1 n ASN 133 Ca -0.16 -0.66 -0.19 0.00 1.68 0.00 0.00 54.58 55.26 3iu1 n ASN 133 Cb 0.52 1.07 0.01 0.00 -1.54 0.00 0.00 39.78 39.84 3iu1 n ASN 133 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3iu1 s THR 134 N -2.14 2.70 -0.08 3.41 -4.23 -1.26 -4.90 115.64 109.15 3iu1 s THR 134 Ca 0.03 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 3iu1 s THR 134 Cb 0.08 -2.82 0.02 0.00 1.34 0.00 0.00 72.50 71.12 3iu1 s THR 134 CO 0.45 0.00 -0.05 -1.00 -0.54 0.00 0.00 174.62 173.48 3iu1 s HIS 135 N -2.46 1.06 -5.00 3.99 3.76 -1.25 -3.64 115.29 111.75 3iu1 s HIS 135 Ca 0.53 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 55.03 3iu1 s HIS 135 Cb -0.07 -0.94 0.00 0.00 1.11 0.00 0.00 32.58 32.68 3iu1 s HIS 135 CO 0.32 -0.34 0.00 0.41 -0.85 0.00 0.00 174.74 174.28 3iu1 n GLY 136 N 4.59 -1.42 3.77 -2.22 0.00 -0.29 -4.98 105.19 104.63 3iu1 n GLY 136 Ca -0.16 -1.50 -0.37 0.00 0.00 0.00 0.00 46.02 43.99 3iu1 n GLY 136 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iu1 s PRO 137 N -1.78 3.59 0.13 1.61 0.04 -1.26 0.85 135.00 138.18 3iu1 s PRO 137 Ca 0.00 1.86 -0.11 0.00 0.04 0.00 0.00 61.00 62.79 3iu1 s PRO 137 Cb 0.00 -2.35 -0.08 0.00 0.04 0.00 0.00 34.50 32.11 3iu1 s PRO 137 CO 0.00 -0.71 1.41 0.28 0.04 0.00 0.00 177.00 178.02 3iu1 h VAL 138 N 1.73 1.27 -3.63 -0.36 2.07 -1.84 -3.44 116.25 112.06 3iu1 h VAL 138 Ca -0.50 -1.72 -0.40 0.00 0.82 0.00 0.00 66.70 64.90 3iu1 h VAL 138 Cb 1.26 1.61 -0.18 0.00 -1.52 0.00 0.00 31.29 32.46 3iu1 h VAL 138 CO 0.59 0.56 -0.76 -1.83 0.02 0.00 0.00 177.57 176.16 3iu1 s GLU 139 N -4.14 0.98 0.49 1.57 -1.05 -1.26 -5.06 118.70 110.23 3iu1 s GLU 139 Ca -0.11 -1.21 -0.22 0.00 -0.15 0.00 0.00 54.97 53.28 3iu1 s GLU 139 Cb 0.10 -0.84 -0.06 0.00 -0.44 0.00 0.00 34.13 32.88 3iu1 s GLU 139 CO 0.89 0.16 1.22 -1.25 0.95 0.00 0.00 175.26 177.23 3iu1 s PRO 140 N -2.63 3.53 0.31 -4.83 0.04 -1.26 -4.96 135.00 125.19 3iu1 s PRO 140 Ca 0.08 1.89 -0.29 0.00 0.04 0.00 0.00 61.00 62.72 3iu1 s PRO 140 Cb -0.05 -2.32 -0.13 0.00 0.04 0.00 0.00 34.50 32.05 3iu1 s PRO 140 CO 0.02 -0.77 1.31 -0.25 0.04 0.00 0.00 177.00 177.35 3iu1 n ASP 141 N -0.74 2.69 -4.71 6.66 8.00 -1.26 -4.96 116.55 122.23 3iu1 n ASP 141 Ca 0.09 1.19 -0.41 0.00 0.71 0.00 0.00 54.79 56.36 3iu1 n ASP 141 Cb 0.47 -1.46 -0.04 0.00 -0.02 0.00 0.00 41.12 40.08 3iu1 n ASP 141 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iu1 s LYS 142 N -1.44 4.53 0.00 -1.24 1.02 -1.26 -4.95 119.74 116.40 3iu1 s LYS 142 Ca 0.59 1.25 0.24 0.00 0.02 0.00 0.00 55.97 58.07 3iu1 s LYS 142 Cb -0.60 -3.45 0.21 0.00 -0.52 0.00 0.00 37.83 33.47 3iu1 s LYS 142 CO 0.58 -0.00 1.22 -0.25 -0.92 0.00 0.00 175.35 175.98 3iu1 n ASP 143 N 3.81 1.55 -3.95 2.83 8.00 -1.26 -4.80 116.55 122.73 3iu1 n ASP 143 Ca 0.04 -1.22 -0.21 0.00 0.71 0.00 0.00 54.79 54.11 3iu1 n ASP 143 Cb 0.51 0.43 -0.16 0.00 -0.02 0.00 0.00 41.12 41.88 3iu1 n ASP 143 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3iu1 s ASN 144 N -2.57 1.22 -0.07 -2.24 -0.87 -1.26 -5.15 114.94 104.00 3iu1 s ASN 144 Ca 0.19 -0.19 0.05 0.00 -1.57 0.00 0.00 52.86 51.34 3iu1 s ASN 144 Cb 0.18 -0.54 -0.01 0.00 -0.02 0.00 0.00 41.25 40.87 3iu1 s ASN 144 CO 0.60 -0.00 -0.24 -0.63 -2.57 0.00 0.00 177.10 174.26 3iu1 s ILE 145 N 0.69 2.13 -0.21 0.60 -1.09 -1.26 -5.09 121.20 116.96 3iu1 s ILE 145 Ca -0.11 -1.03 -0.41 0.00 -2.23 0.00 0.00 60.65 56.87 3iu1 s ILE 145 Cb -0.14 -1.78 -0.17 0.00 -1.58 0.00 0.00 42.46 38.79 3iu1 s ILE 145 CO 0.01 0.57 1.54 -1.14 -1.23 0.00 0.00 174.94 174.69 3iu1 n ARG 146 N 3.07 0.76 0.14 2.79 0.63 -1.26 -4.88 116.66 117.91 3iu1 n ARG 146 Ca -0.18 0.28 0.08 0.00 -0.92 0.00 0.00 57.85 57.11 3iu1 n ARG 146 Cb 0.52 -1.89 0.05 0.00 0.45 0.00 0.00 32.46 31.59 3iu1 n ARG 146 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3iu1 h GLN 147 N 5.61 0.00 -5.86 -0.14 4.20 -1.99 -3.47 115.11 113.46 3iu1 h GLN 147 Ca -0.47 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 57.58 3iu1 h GLN 147 Cb 1.35 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 29.03 3iu1 h GLN 147 CO 0.88 0.16 -0.55 -1.21 -0.67 0.00 0.00 178.83 177.44 3iu1 s GLU 148 N -3.15 3.19 0.64 1.46 8.01 -1.26 -5.08 118.70 122.51 3iu1 s GLU 148 Ca 0.03 -0.34 -0.18 0.00 0.01 0.00 0.00 54.97 54.49 3iu1 s GLU 148 Cb 0.07 -2.97 -0.02 0.00 -4.31 0.00 0.00 34.13 26.91 3iu1 s GLU 148 CO 0.74 0.71 1.22 -2.30 0.01 0.00 0.00 175.26 175.64 3iu1 n PRO 149 N 1.69 1.07 -1.97 0.39 -0.02 -1.26 -4.98 135.00 129.92 3iu1 n PRO 149 Ca -0.17 0.42 -0.36 0.00 -2.02 0.00 0.00 63.50 61.38 3iu1 n PRO 149 Cb 0.54 -2.46 0.04 0.00 -0.02 0.00 0.00 33.50 31.60 3iu1 n PRO 149 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3iu1 s TYR 150 N -1.41 2.38 -0.03 6.00 1.51 -1.26 -4.98 117.35 119.56 3iu1 s TYR 150 Ca 0.81 1.52 -0.30 0.00 -1.01 0.00 0.00 57.07 58.10 3iu1 s TYR 150 Cb -0.39 -3.46 -0.03 0.00 -0.11 0.00 0.00 41.96 37.97 3iu1 s TYR 150 CO 0.42 -2.20 1.11 0.99 -1.11 0.00 0.00 175.55 174.76 3iu1 s THR 151 N -1.66 4.45 0.45 -0.71 2.01 -1.26 -5.04 115.64 113.88 3iu1 s THR 151 Ca 0.77 1.76 -0.06 0.00 0.31 0.00 0.00 61.69 64.46 3iu1 s THR 151 Cb -0.30 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 3iu1 s THR 151 CO 0.34 0.05 0.76 -0.76 -0.69 0.00 0.00 174.62 174.33 3iu1 s LEU 152 N 1.70 3.70 0.69 4.42 1.43 -1.26 -5.02 118.68 124.34 3iu1 s LEU 152 Ca 0.54 0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 3iu1 s LEU 152 Cb -0.23 -3.87 -0.02 0.00 0.03 0.00 0.00 46.19 42.10 3iu1 s LEU 152 CO 0.24 -0.51 0.86 -2.65 0.23 0.00 0.00 176.35 174.52 3iu1 n PRO 153 N -1.97 0.53 -1.64 1.29 -0.02 -1.26 -4.87 135.00 127.06 3iu1 n PRO 153 Ca 0.01 0.23 -0.44 0.00 -2.02 0.00 0.00 63.50 61.28 3iu1 n PRO 153 Cb 0.55 -2.11 -0.01 0.00 -0.02 0.00 0.00 33.50 31.90 3iu1 n PRO 153 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3iu1 n GLN 154 N -1.41 1.71 -0.35 -0.52 7.27 -1.26 -2.34 117.38 120.47 3iu1 n GLN 154 Ca 0.13 0.60 0.00 0.00 0.07 0.00 0.00 57.00 57.80 3iu1 n GLN 154 Cb 0.49 -2.08 0.00 0.00 2.41 0.00 0.00 30.24 31.06 3iu1 n GLN 154 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3iu1 n GLY 155 N 1.15 0.79 3.27 1.69 0.00 -1.26 -5.05 105.19 105.78 3iu1 n GLY 155 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 3iu1 n GLY 155 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iu1 s PHE 156 N -2.77 1.89 0.02 1.61 0.40 -0.99 -0.75 117.98 117.38 3iu1 s PHE 156 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 3iu1 s PHE 156 Cb 0.00 -1.12 -0.02 0.00 0.51 0.00 0.00 43.02 42.39 3iu1 s PHE 156 CO 0.00 0.10 -0.04 -0.08 0.70 0.00 0.00 175.22 175.90 3iu1 s THR 157 N -0.81 0.16 0.43 0.64 -1.32 0.04 -4.75 115.64 110.03 3iu1 s THR 157 Ca 0.08 -0.91 -0.24 0.00 -1.21 0.00 0.00 61.69 59.41 3iu1 s THR 157 Cb -0.09 -0.30 -0.08 0.00 -1.51 0.00 0.00 72.50 70.52 3iu1 s THR 157 CO 0.02 -0.47 1.14 0.26 -2.21 0.00 0.00 174.62 173.36 3iu1 s TRP 158 N -1.42 3.02 -0.18 9.09 0.52 -1.26 -0.67 118.94 128.05 3iu1 s TRP 158 Ca -0.15 1.56 -0.06 0.00 0.02 0.00 0.00 56.10 57.47 3iu1 s TRP 158 Cb -0.10 -3.33 0.09 0.00 -1.15 0.00 0.00 33.47 28.98 3iu1 s TRP 158 CO -0.01 -1.26 0.37 0.34 0.02 0.00 0.00 176.95 176.42 3iu1 s ASP 159 N -1.32 -0.06 0.04 2.95 2.15 -0.08 -4.84 116.67 115.51 3iu1 s ASP 159 Ca 0.60 0.84 -0.30 0.00 0.43 0.00 0.00 52.55 54.11 3iu1 s ASP 159 Cb -0.28 1.16 -0.05 0.00 -0.30 0.00 0.00 42.92 43.45 3iu1 s ASP 159 CO 0.35 -0.24 1.26 0.00 -0.17 0.00 0.00 175.17 176.37 3iu1 s ALA 160 N 2.56 3.47 -0.28 3.66 0.00 -1.26 -0.72 121.76 129.19 3iu1 s ALA 160 Ca -0.00 0.85 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 3iu1 s ALA 160 Cb -0.12 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 3iu1 s ALA 160 CO -0.12 -0.61 0.44 -0.51 0.00 0.00 0.00 175.76 174.96 3iu1 s LEU 161 N 1.52 4.08 -0.75 0.00 1.43 -0.30 -4.92 118.68 119.75 3iu1 s LEU 161 Ca 0.60 0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 53.78 3iu1 s LEU 161 Cb -0.30 -2.53 0.05 0.00 0.03 0.00 0.00 46.19 43.44 3iu1 s LEU 161 CO 0.27 -0.25 1.20 -0.62 0.23 0.00 0.00 176.35 177.18 3iu1 s ASP 162 N 1.62 6.21 0.00 2.29 -1.08 -1.26 -4.82 116.67 119.63 3iu1 s ASP 162 Ca 0.18 -0.73 0.23 0.00 -0.52 0.00 0.00 52.55 51.70 3iu1 s ASP 162 Cb -0.16 -2.52 1.00 0.00 -1.46 0.00 0.00 42.92 39.79 3iu1 s ASP 162 CO 0.10 -1.68 1.73 0.18 0.52 0.00 0.00 175.17 176.01 3iu1 n LEU 163 N 8.80 0.00 0.03 -1.34 4.77 -1.26 -1.68 117.00 126.31 3iu1 n LEU 163 Ca 0.04 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 3iu1 n LEU 163 Cb 0.48 -0.46 0.47 0.00 -2.33 0.00 0.00 43.42 41.59 3iu1 n LEU 163 CO 0.68 -0.10 0.86 0.61 -1.33 0.00 0.00 177.39 178.10 3iu1 n GLY 164 N 0.79 -1.32 3.65 -0.72 0.00 -1.26 -4.55 105.19 101.77 3iu1 n GLY 164 Ca 0.07 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 3iu1 n GLY 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3iu1 s ASP 165 N -3.31 6.52 0.25 1.61 2.15 -0.68 -4.99 116.67 118.23 3iu1 s ASP 165 Ca 0.10 0.62 -0.05 0.00 0.43 0.00 0.00 52.55 53.66 3iu1 s ASP 165 Cb 0.14 -2.29 0.34 0.00 -0.30 0.00 0.00 42.92 40.80 3iu1 s ASP 165 CO 0.43 -0.22 1.89 -0.09 -0.17 0.00 0.00 175.17 177.00 3iu1 h ARG 166 N 7.67 1.13 -0.42 4.34 1.12 -1.86 -0.54 114.38 125.82 3iu1 h ARG 166 Ca -0.32 -0.07 -0.05 0.00 -1.11 0.00 0.00 59.98 58.43 3iu1 h ARG 166 Cb 1.15 -0.25 -0.02 0.00 -0.01 0.00 0.00 29.97 30.84 3iu1 h ARG 166 CO 0.73 0.75 0.05 0.78 -3.11 0.00 0.00 179.97 179.17 3iu1 h GLY 167 N 1.16 0.76 0.92 2.80 0.00 -1.93 -1.30 103.07 105.48 3iu1 h GLY 167 Ca 0.39 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3iu1 h GLY 167 CO -0.14 0.48 -0.07 -2.08 0.00 0.00 0.00 176.54 174.73 3iu1 h VAL 168 N 0.55 1.28 -0.86 4.60 2.07 -1.73 -1.38 116.25 120.79 3iu1 h VAL 168 Ca 0.12 -1.12 0.04 0.00 0.82 0.00 0.00 66.70 66.56 3iu1 h VAL 168 Cb 0.41 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.45 3iu1 h VAL 168 CO 0.01 0.36 0.55 0.25 0.02 0.00 0.00 177.57 178.77 3iu1 h LEU 169 N 0.42 0.91 -1.10 2.57 5.85 -1.07 -1.48 115.31 121.41 3iu1 h LEU 169 Ca 0.08 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3iu1 h LEU 169 Cb 0.57 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3iu1 h LEU 169 CO 0.03 0.62 -0.10 0.50 -0.34 0.00 0.00 178.44 179.15 3iu1 h LYS 170 N 1.06 0.52 -0.68 1.25 1.63 -1.03 0.30 116.57 119.61 3iu1 h LYS 170 Ca 0.34 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 3iu1 h LYS 170 Cb 0.02 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.56 3iu1 h LYS 170 CO -0.12 0.62 0.33 0.93 -3.45 0.00 0.00 179.45 177.76 3iu1 h GLU 171 N 0.48 0.98 -0.28 1.90 5.08 -0.44 -0.79 114.58 121.51 3iu1 h GLU 171 Ca 0.09 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3iu1 h GLU 171 Cb 0.47 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3iu1 h GLU 171 CO 0.03 0.77 -0.03 1.25 -1.00 0.00 0.00 179.01 180.03 3iu1 h LEU 172 N 0.95 0.50 -0.63 1.33 5.85 -0.88 -1.28 115.31 121.15 3iu1 h LEU 172 Ca 0.24 -0.33 0.13 0.00 0.84 0.00 0.00 57.88 58.76 3iu1 h LEU 172 Cb 0.11 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 40.90 3iu1 h LEU 172 CO -0.03 0.72 -0.02 0.22 -0.34 0.00 0.00 178.44 178.99 3iu1 h TYR 173 N 0.28 -0.08 -0.33 1.25 3.20 -0.77 -1.29 116.97 119.23 3iu1 h TYR 173 Ca 0.08 0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.88 3iu1 h TYR 173 Cb 0.47 0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3iu1 h TYR 173 CO 0.04 -0.19 -0.22 1.15 -1.64 0.00 0.00 178.16 177.30 3iu1 h THR 174 N 0.10 1.29 -0.30 1.81 2.02 -0.92 0.19 112.91 117.10 3iu1 h THR 174 Ca 0.33 -1.36 0.06 0.00 0.77 0.00 0.00 66.41 66.20 3iu1 h THR 174 Cb 0.54 1.45 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 3iu1 h THR 174 CO -0.56 0.44 -0.03 0.25 0.37 0.00 0.00 175.52 176.00 3iu1 h LEU 175 N 0.50 -0.17 -0.27 2.58 5.85 -0.82 -1.35 115.31 121.63 3iu1 h LEU 175 Ca 0.07 0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 3iu1 h LEU 175 Cb 0.78 0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 3iu1 h LEU 175 CO 0.06 -0.05 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.63 3iu1 h LEU 176 N 0.06 0.82 -1.41 2.25 3.38 -1.13 -0.22 115.31 119.05 3iu1 h LEU 176 Ca 0.14 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.69 3iu1 h LEU 176 Cb 0.20 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 3iu1 h LEU 176 CO -0.27 1.18 0.49 -1.13 0.09 0.00 0.00 178.44 178.80 3iu1 h ASN 177 N 0.49 0.60 0.31 -0.43 -0.73 -0.42 -0.33 115.58 115.06 3iu1 h ASN 177 Ca 0.02 0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.21 3iu1 h ASN 177 Cb 1.01 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.48 3iu1 h ASN 177 CO 0.09 0.36 -1.61 -0.62 -0.37 0.00 0.00 177.43 175.29 3iu1 n GLU 178 N -4.49 0.59 0.00 6.67 1.02 -0.53 -4.67 120.64 119.23 3iu1 n GLU 178 Ca 0.12 -0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 3iu1 n GLU 178 Cb 0.32 -1.61 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3iu1 n GLU 178 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iu1 n ASN 179 N -2.32 0.33 -1.94 1.62 3.02 -0.11 -4.90 115.26 110.96 3iu1 n ASN 179 Ca -0.02 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 3iu1 n ASN 179 Cb 0.54 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 3iu1 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iu1 n TYR 180 N -0.04 -1.00 -1.79 3.10 9.36 -0.15 -4.72 117.16 121.91 3iu1 n TYR 180 Ca 0.00 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.80 3iu1 n TYR 180 Cb 0.28 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.96 3iu1 n TYR 180 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3iu1 s VAL 181 N 0.44 2.45 0.24 2.97 1.01 -1.26 -4.78 120.40 121.48 3iu1 s VAL 181 Ca 0.00 0.18 0.08 0.00 0.00 0.00 0.00 61.98 62.24 3iu1 s VAL 181 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.22 3iu1 s VAL 181 CO 0.00 0.01 0.07 -1.61 0.00 0.00 0.00 175.10 173.56 3iu1 s GLU 182 N 1.88 2.55 1.08 2.72 2.02 -1.26 -1.46 118.70 126.22 3iu1 s GLU 182 Ca 0.76 -1.21 -0.13 0.00 0.02 0.00 0.00 54.97 54.40 3iu1 s GLU 182 Cb -0.46 -2.35 0.23 0.00 0.10 0.00 0.00 34.13 31.65 3iu1 s GLU 182 CO 0.33 0.40 1.07 0.16 0.02 0.00 0.00 175.26 177.25 3iu1 s ASP 183 N -3.54 1.88 0.01 -0.19 -4.77 -0.58 -4.91 116.67 104.58 3iu1 s ASP 183 Ca 0.31 1.19 0.11 0.00 -3.30 0.00 0.00 52.55 50.86 3iu1 s ASP 183 Cb -0.08 -1.86 0.46 0.00 -1.09 0.00 0.00 42.92 40.35 3iu1 s ASP 183 CO 0.21 -3.59 1.34 0.47 0.70 0.00 0.00 175.17 174.30 3iu1 n ASP 184 N -4.48 0.03 -0.73 2.11 8.00 -1.26 -2.05 116.55 118.17 3iu1 n ASP 184 Ca 0.05 0.51 0.07 0.00 0.71 0.00 0.00 54.79 56.13 3iu1 n ASP 184 Cb 0.57 -0.52 0.15 0.00 -0.02 0.00 0.00 41.12 41.30 3iu1 n ASP 184 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3iu1 n ASP 185 N -1.54 2.86 -3.82 -2.24 8.00 -1.26 -5.00 116.55 113.54 3iu1 n ASP 185 Ca 0.02 -1.87 -0.23 0.00 0.71 0.00 0.00 54.79 53.42 3iu1 n ASP 185 Cb 0.12 -0.20 0.01 0.00 -0.02 0.00 0.00 41.12 41.02 3iu1 n ASP 185 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3iu1 n ASN 186 N 0.78 -0.72 -0.00 -2.24 4.13 -0.87 -4.90 115.26 111.44 3iu1 n ASN 186 Ca 0.13 -0.91 -0.00 0.00 1.68 0.00 0.00 54.58 55.47 3iu1 n ASN 186 Cb 0.43 -3.56 -0.01 0.00 -1.54 0.00 0.00 39.78 35.11 3iu1 n ASN 186 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 3iu1 n MET 187 N -4.33 3.49 -4.31 3.52 2.81 -1.26 -4.91 117.12 112.12 3iu1 n MET 187 Ca -0.31 -0.00 -0.20 0.00 -1.81 0.00 0.00 57.70 55.38 3iu1 n MET 187 Cb 0.68 -1.03 -0.16 0.00 -0.71 0.00 0.00 33.22 32.01 3iu1 n MET 187 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3iu1 s PHE 188 N -2.03 0.88 -0.05 2.03 0.08 -1.26 -0.74 117.98 116.89 3iu1 s PHE 188 Ca -0.01 -0.24 0.05 0.00 0.12 0.00 0.00 56.93 56.85 3iu1 s PHE 188 Cb 0.00 -0.67 -0.00 0.00 -0.57 0.00 0.00 43.02 41.77 3iu1 s PHE 188 CO 0.04 -0.14 -0.19 0.50 -0.10 0.00 0.00 175.22 175.33 3iu1 s ARG 189 N 0.46 2.00 0.30 0.44 3.52 -0.65 -1.52 118.95 123.50 3iu1 s ARG 189 Ca -0.07 -0.69 -0.29 0.00 -0.13 0.00 0.00 55.73 54.56 3iu1 s ARG 189 Cb -0.11 -1.72 -0.13 0.00 -1.56 0.00 0.00 34.95 31.43 3iu1 s ARG 189 CO 0.01 0.27 1.16 1.19 -0.81 0.00 0.00 175.30 177.12 3iu1 n PHE 190 N 3.11 1.73 -3.16 5.12 0.99 -0.54 0.28 117.46 124.99 3iu1 n PHE 190 Ca -0.18 0.62 -0.24 0.00 -0.00 0.00 0.00 57.45 57.65 3iu1 n PHE 190 Cb 0.53 -2.33 -0.05 0.00 -1.00 0.00 0.00 39.48 36.62 3iu1 n PHE 190 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3iu1 n ASP 191 N 1.17 2.74 -4.68 4.37 2.03 0.35 -4.50 116.55 118.02 3iu1 n ASP 191 Ca 0.08 -3.30 -0.45 0.00 0.52 0.00 0.00 54.79 51.64 3iu1 n ASP 191 Cb 0.33 -0.61 -0.04 0.00 -0.72 0.00 0.00 41.12 40.08 3iu1 n ASP 191 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3iu1 n TYR 192 N 0.43 2.41 -1.75 -0.67 4.02 -1.26 -4.30 117.16 116.03 3iu1 n TYR 192 Ca 0.28 0.14 -0.31 0.00 -0.01 0.00 0.00 57.90 57.99 3iu1 n TYR 192 Cb 0.48 -2.61 0.03 0.00 -0.02 0.00 0.00 39.34 37.23 3iu1 n TYR 192 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3iu1 s SER 193 N 1.58 5.68 0.23 7.72 1.04 -1.26 -4.86 113.70 123.83 3iu1 s SER 193 Ca 0.80 1.61 -0.07 0.00 0.48 0.00 0.00 55.95 58.77 3iu1 s SER 193 Cb -0.62 -2.50 0.31 0.00 0.10 0.00 0.00 66.02 63.31 3iu1 s SER 193 CO 0.38 -1.24 1.82 -0.65 0.98 0.00 0.00 173.24 174.53 3iu1 h PRO 194 N -0.36 0.75 -0.10 4.02 0.11 -1.93 -0.46 132.00 134.02 3iu1 h PRO 194 Ca -0.44 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 3iu1 h PRO 194 Cb 1.21 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3iu1 h PRO 194 CO 0.58 0.50 -0.46 1.05 -0.21 0.00 0.00 178.00 179.46 3iu1 h GLU 195 N 0.77 0.23 -0.37 1.05 4.11 -1.98 -1.56 114.58 116.83 3iu1 h GLU 195 Ca 0.35 -0.12 -0.02 0.00 0.07 0.00 0.00 59.36 59.63 3iu1 h GLU 195 Cb 0.25 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3iu1 h GLU 195 CO -0.21 0.65 0.13 0.35 0.07 0.00 0.00 179.01 180.01 3iu1 h PHE 196 N 0.19 0.57 -0.92 2.06 3.57 -1.77 -2.10 116.94 118.54 3iu1 h PHE 196 Ca 0.01 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.48 3iu1 h PHE 196 Cb 0.88 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 3iu1 h PHE 196 CO 0.02 0.53 0.61 -0.07 -2.23 0.00 0.00 178.31 177.17 3iu1 h LEU 197 N 0.44 1.04 -0.66 0.59 3.38 -0.67 0.73 115.31 120.16 3iu1 h LEU 197 Ca 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3iu1 h LEU 197 Cb 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3iu1 h LEU 197 CO -0.01 0.74 0.32 0.25 0.09 0.00 0.00 178.44 179.84 3iu1 h LEU 198 N 1.23 0.87 -0.19 1.67 5.85 -1.14 -0.04 115.31 123.55 3iu1 h LEU 198 Ca 0.35 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3iu1 h LEU 198 Cb -0.10 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 3iu1 h LEU 198 CO -0.08 0.75 0.13 -0.25 -0.34 0.00 0.00 178.44 178.65 3iu1 h TRP 199 N 0.92 0.24 0.00 1.25 7.01 -0.61 -0.72 115.95 124.04 3iu1 h TRP 199 Ca 0.23 0.01 -0.12 0.00 2.11 0.00 0.00 58.89 61.11 3iu1 h TRP 199 Cb 0.11 -0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 3iu1 h TRP 199 CO 0.00 0.15 -0.59 0.00 -2.79 0.00 0.00 178.44 175.22 3iu1 h ALA 200 N 1.07 1.01 0.00 2.65 0.00 -0.66 -3.35 119.26 119.99 3iu1 h ALA 200 Ca 0.07 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3iu1 h ALA 200 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3iu1 h ALA 200 CO -0.02 0.73 -1.16 1.28 0.00 0.00 0.00 179.25 180.09 3iu1 n LEU 201 N -3.81 0.30 -2.63 0.00 4.77 -0.05 -4.53 117.00 111.05 3iu1 n LEU 201 Ca -0.01 -0.24 -0.28 0.00 -0.03 0.00 0.00 56.01 55.45 3iu1 n LEU 201 Cb 0.59 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.68 3iu1 n LEU 201 CO 0.41 0.08 0.33 0.54 -1.33 0.00 0.00 177.39 177.42 3iu1 n ARG 202 N -1.67 3.38 -1.50 3.23 1.74 -0.29 -4.85 116.66 116.72 3iu1 n ARG 202 Ca -0.00 -4.49 -0.29 0.00 -0.77 0.00 0.00 57.85 52.30 3iu1 n ARG 202 Cb 0.29 -2.25 0.16 0.00 -1.02 0.00 0.00 32.46 29.63 3iu1 n ARG 202 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iu1 s PRO 203 N -3.60 0.69 0.11 5.56 0.04 -1.26 -4.87 135.00 131.67 3iu1 s PRO 203 Ca 0.48 0.16 -0.36 0.00 0.04 0.00 0.00 61.00 61.33 3iu1 s PRO 203 Cb 0.38 -1.80 -0.15 0.00 0.04 0.00 0.00 34.50 32.96 3iu1 s PRO 203 CO -0.20 -2.48 1.45 -2.30 0.04 0.00 0.00 177.00 173.51 3iu1 n PRO 204 N -3.93 1.57 -0.57 0.56 -0.02 -1.26 -1.70 135.00 129.65 3iu1 n PRO 204 Ca 0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3iu1 n PRO 204 Cb 0.59 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3iu1 n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iu1 n GLY 205 N 2.94 0.76 3.65 -1.23 0.00 -1.26 -4.77 105.19 105.28 3iu1 n GLY 205 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3iu1 n GLY 205 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3iu1 n TRP 206 N -2.23 1.41 -5.02 1.61 4.27 -0.69 -4.65 117.44 112.15 3iu1 n TRP 206 Ca 0.00 0.48 -0.27 0.00 -3.89 0.00 0.00 57.50 53.81 3iu1 n TRP 206 Cb 0.00 -2.24 -0.16 0.00 -1.36 0.00 0.00 31.31 27.55 3iu1 n TRP 206 CO 0.00 0.00 0.00 -0.51 -2.29 0.00 0.00 177.69 174.89 3iu1 s LEU 207 N -1.86 2.03 0.29 5.67 1.43 -1.26 -5.05 118.68 119.93 3iu1 s LEU 207 Ca 0.69 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3iu1 s LEU 207 Cb -0.47 -1.08 0.43 0.00 0.03 0.00 0.00 46.19 45.10 3iu1 s LEU 207 CO 0.52 0.24 1.88 1.55 0.23 0.00 0.00 176.35 180.77 3iu1 h PRO 208 N 5.72 0.89 0.00 1.29 0.13 -1.95 -2.09 132.00 135.99 3iu1 h PRO 208 Ca -0.38 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3iu1 h PRO 208 Cb 1.14 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.12 3iu1 h PRO 208 CO 0.48 0.72 0.00 1.96 -0.23 0.00 0.00 178.00 180.93 3iu1 h GLN 209 N 0.88 0.00 -0.24 0.86 1.08 -1.96 -2.41 115.11 113.32 3iu1 h GLN 209 Ca 0.21 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 3iu1 h GLN 209 Cb 0.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3iu1 h GLN 209 CO -0.02 0.00 0.00 0.91 -0.95 0.00 0.00 178.83 178.77 3iu1 n TRP 210 N -2.35 0.31 -3.51 2.96 8.01 -0.78 -4.38 117.44 117.69 3iu1 n TRP 210 Ca 0.01 -0.15 -0.41 0.00 -1.31 0.00 0.00 57.50 55.63 3iu1 n TRP 210 Cb 0.18 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.43 3iu1 n TRP 210 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.69 175.67 3iu1 s HIS 211 N -1.69 3.76 -0.49 -5.99 3.76 -0.91 -1.68 115.29 112.04 3iu1 s HIS 211 Ca 0.32 -2.54 -0.14 0.00 -0.15 0.00 0.00 55.06 52.55 3iu1 s HIS 211 Cb 0.17 -3.51 0.10 0.00 1.11 0.00 0.00 32.58 30.45 3iu1 s HIS 211 CO 0.25 -0.88 0.41 0.00 -0.85 0.00 0.00 174.74 173.67 3iu1 s GLY 213 N 2.95 1.41 -0.10 0.00 0.00 0.10 -1.45 107.32 110.23 3iu1 s GLY 213 Ca 0.04 -1.19 0.03 0.00 0.00 0.00 0.00 44.72 43.60 3iu1 s GLY 213 CO 0.04 -1.21 -0.19 0.14 0.00 0.00 0.00 173.10 171.88 3iu1 s VAL 214 N -1.91 1.74 0.14 1.40 1.01 0.21 -0.90 120.40 122.10 3iu1 s VAL 214 Ca 0.34 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.61 3iu1 s VAL 214 Cb -0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3iu1 s VAL 214 CO 0.28 0.49 -0.25 -0.13 0.00 0.00 0.00 175.10 175.49 3iu1 s ARG 215 N 0.63 1.36 0.04 2.72 0.52 0.16 -0.59 118.95 123.79 3iu1 s ARG 215 Ca -0.13 -1.35 -0.30 0.00 -0.52 0.00 0.00 55.73 53.42 3iu1 s ARG 215 Cb -0.16 -1.76 -0.06 0.00 0.52 0.00 0.00 34.95 33.49 3iu1 s ARG 215 CO 0.04 0.41 1.27 0.08 0.02 0.00 0.00 175.30 177.11 3iu1 s VAL 216 N -1.26 3.88 0.15 3.52 1.01 -0.07 -0.78 120.40 126.86 3iu1 s VAL 216 Ca 0.14 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 63.27 3iu1 s VAL 216 Cb -0.09 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.45 3iu1 s VAL 216 CO 0.06 0.07 1.76 0.58 0.00 0.00 0.00 175.10 177.57 3iu1 h VAL 217 N 4.62 0.94 0.12 2.92 2.07 -1.28 0.17 116.25 125.81 3iu1 h VAL 217 Ca -0.40 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3iu1 h VAL 217 Cb 1.20 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3iu1 h VAL 217 CO 0.85 0.05 -0.06 0.77 0.02 0.00 0.00 177.57 179.21 3iu1 h SER 218 N 0.30 -0.14 1.41 0.57 4.64 -1.93 -3.35 113.55 115.05 3iu1 h SER 218 Ca 0.15 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3iu1 h SER 218 Cb 0.10 0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 3iu1 h SER 218 CO -0.13 0.46 -0.58 0.77 -0.87 0.00 0.00 176.83 176.47 3iu1 h SER 219 N -0.84 0.00 0.00 4.97 4.64 -1.96 -3.47 113.55 116.89 3iu1 h SER 219 Ca -0.02 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3iu1 h SER 219 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3iu1 h SER 219 CO 0.03 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 3iu1 n ARG 220 N -2.85 -0.27 -1.70 4.77 5.12 0.59 -4.98 116.66 117.34 3iu1 n ARG 220 Ca 0.02 0.07 -0.44 0.00 -1.93 0.00 0.00 57.85 55.57 3iu1 n ARG 220 Cb 0.54 -3.35 -0.03 0.00 -1.16 0.00 0.00 32.46 28.46 3iu1 n ARG 220 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 3iu1 n LYS 221 N -1.88 2.48 -2.47 5.56 4.81 -1.25 -4.49 118.16 120.93 3iu1 n LYS 221 Ca 0.00 0.89 -0.43 0.00 -0.87 0.00 0.00 58.31 57.90 3iu1 n LYS 221 Cb 0.07 -2.68 -0.02 0.00 0.02 0.00 0.00 35.03 32.42 3iu1 n LYS 221 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 3iu1 s LEU 222 N 0.68 4.17 0.00 3.14 2.96 -1.26 -0.89 118.68 127.47 3iu1 s LEU 222 Ca 0.74 1.64 0.00 0.00 -0.22 0.00 0.00 54.13 56.28 3iu1 s LEU 222 Cb -0.58 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 42.58 3iu1 s LEU 222 CO 0.39 -0.74 0.31 1.33 -1.32 0.00 0.00 176.35 176.32 3iu1 n VAL 223 N 5.36 0.00 -3.56 1.68 0.24 0.24 -4.86 118.33 117.43 3iu1 n VAL 223 Ca 0.14 -0.34 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 3iu1 n VAL 223 Cb 0.45 1.30 -0.06 0.00 -1.47 0.00 0.00 33.84 34.06 3iu1 n VAL 223 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iu1 s GLY 224 N -0.05 -0.48 -0.04 7.63 0.00 -1.06 -0.58 107.32 112.73 3iu1 s GLY 224 Ca 0.00 0.91 -0.25 0.00 0.00 0.00 0.00 44.72 45.38 3iu1 s GLY 224 CO 0.00 0.59 0.54 -0.12 0.00 0.00 0.00 173.10 174.11 3iu1 s PHE 225 N -1.81 -0.48 0.01 1.90 5.36 -0.18 -0.61 117.98 122.16 3iu1 s PHE 225 Ca -0.09 0.83 -0.18 0.00 -0.96 0.00 0.00 56.93 56.53 3iu1 s PHE 225 Cb -0.01 0.29 0.03 0.00 -0.34 0.00 0.00 43.02 43.00 3iu1 s PHE 225 CO 0.04 -0.52 0.40 -1.50 -1.46 0.00 0.00 175.22 172.18 3iu1 s ILE 226 N -1.20 0.05 0.03 3.12 2.07 -0.53 -1.14 121.20 123.61 3iu1 s ILE 226 Ca -0.12 -0.43 0.00 0.00 -1.41 0.00 0.00 60.65 58.70 3iu1 s ILE 226 Cb -0.02 -0.84 -0.03 0.00 0.13 0.00 0.00 42.46 41.70 3iu1 s ILE 226 CO 0.08 -0.23 -0.04 -0.94 -1.91 0.00 0.00 174.94 171.89 3iu1 s SER 227 N -1.67 0.46 -0.01 4.50 1.04 -0.76 -1.34 113.70 115.93 3iu1 s SER 227 Ca -0.09 -0.62 0.06 0.00 0.48 0.00 0.00 55.95 55.78 3iu1 s SER 227 Cb -0.02 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.18 3iu1 s SER 227 CO 0.01 -0.34 -0.19 0.00 0.98 0.00 0.00 173.24 173.70 3iu1 s ALA 228 N -1.97 1.59 0.06 5.32 0.00 -0.68 -2.07 121.76 124.02 3iu1 s ALA 228 Ca -0.09 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.08 3iu1 s ALA 228 Cb -0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3iu1 s ALA 228 CO -0.02 0.38 -0.18 0.96 0.00 0.00 0.00 175.76 176.91 3iu1 s ILE 229 N -0.51 1.41 0.42 0.00 -4.36 -0.77 -4.75 121.20 112.64 3iu1 s ILE 229 Ca 0.07 -1.24 -0.24 0.00 -0.26 0.00 0.00 60.65 58.98 3iu1 s ILE 229 Cb -0.08 -1.27 -0.08 0.00 1.25 0.00 0.00 42.46 42.28 3iu1 s ILE 229 CO -0.00 -0.00 1.09 -2.16 0.24 0.00 0.00 174.94 174.11 3iu1 s PRO 230 N -1.45 4.04 -0.19 0.37 0.04 -1.26 -0.57 135.00 135.97 3iu1 s PRO 230 Ca 0.04 1.61 -0.13 0.00 0.04 0.00 0.00 61.00 62.56 3iu1 s PRO 230 Cb -0.09 -2.51 0.06 0.00 0.04 0.00 0.00 34.50 32.00 3iu1 s PRO 230 CO 0.02 -0.27 0.49 0.00 0.04 0.00 0.00 177.00 177.28 3iu1 s ALA 231 N -1.61 -1.25 -0.11 8.56 0.00 -0.44 -4.80 121.76 122.12 3iu1 s ALA 231 Ca 0.59 1.66 -0.27 0.00 0.00 0.00 0.00 51.96 53.94 3iu1 s ALA 231 Cb -0.24 -0.99 -0.02 0.00 0.00 0.00 0.00 23.12 21.87 3iu1 s ALA 231 CO 0.30 -0.28 0.87 -0.80 0.00 0.00 0.00 175.76 175.86 3iu1 s ASN 232 N 1.11 7.09 -0.08 0.00 0.01 -1.26 -0.14 114.94 121.67 3iu1 s ASN 232 Ca -0.07 1.34 0.04 0.00 -0.71 0.00 0.00 52.86 53.46 3iu1 s ASN 232 Cb -0.06 -2.49 -0.00 0.00 0.41 0.00 0.00 41.25 39.11 3iu1 s ASN 232 CO -0.10 -0.33 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.30 3iu1 s ILE 233 N 1.67 1.89 -0.29 0.60 -1.09 0.34 -0.54 121.20 123.78 3iu1 s ILE 233 Ca 0.43 -0.94 -0.13 0.00 -2.23 0.00 0.00 60.65 57.78 3iu1 s ILE 233 Cb -0.18 -1.63 -0.04 0.00 -1.58 0.00 0.00 42.46 39.03 3iu1 s ILE 233 CO 0.17 0.52 0.28 -2.28 -1.23 0.00 0.00 174.94 172.40 3iu1 s HIS 234 N 0.25 3.23 -0.23 3.97 5.65 0.46 -0.53 115.29 128.09 3iu1 s HIS 234 Ca -0.14 0.14 0.01 0.00 0.25 0.00 0.00 55.06 55.32 3iu1 s HIS 234 Cb -0.16 -2.50 0.06 0.00 -1.18 0.00 0.00 32.58 28.80 3iu1 s HIS 234 CO 0.07 -0.25 -0.08 -1.50 -0.65 0.00 0.00 174.74 172.33 3iu1 s ILE 235 N 1.89 1.69 0.00 0.89 1.10 0.99 -1.44 121.20 126.32 3iu1 s ILE 235 Ca 0.10 -1.25 0.00 0.00 -0.51 0.00 0.00 60.65 58.99 3iu1 s ILE 235 Cb -0.16 -1.88 0.00 0.00 0.15 0.00 0.00 42.46 40.57 3iu1 s ILE 235 CO 0.11 -0.02 0.00 -1.22 -2.11 0.00 0.00 174.94 171.70 3iu1 n TYR 236 N 4.62 0.00 0.83 3.50 4.01 0.42 -1.36 117.16 129.18 3iu1 n TYR 236 Ca -0.13 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.65 3iu1 n TYR 236 Cb 0.44 0.00 0.13 0.00 -0.31 0.00 0.00 39.34 39.60 3iu1 n TYR 236 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3iu1 n ASP 237 N 3.76 1.93 -4.23 7.72 8.00 -1.26 -4.85 116.55 127.62 3iu1 n ASP 237 Ca 0.00 -2.13 -0.30 0.00 0.71 0.00 0.00 54.79 53.07 3iu1 n ASP 237 Cb 0.00 -0.33 -0.16 0.00 -0.02 0.00 0.00 41.12 40.61 3iu1 n ASP 237 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3iu1 s THR 238 N -1.64 1.92 -0.22 -3.53 2.01 -0.47 -5.11 115.64 108.61 3iu1 s THR 238 Ca 0.19 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 61.14 3iu1 s THR 238 Cb 0.12 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.96 3iu1 s THR 238 CO 0.10 0.54 0.05 -0.70 -0.69 0.00 0.00 174.62 173.91 3iu1 s GLU 239 N -0.04 3.73 -0.02 4.92 2.12 -1.26 -0.01 118.70 128.15 3iu1 s GLU 239 Ca -0.06 -0.46 0.04 0.00 0.36 0.00 0.00 54.97 54.86 3iu1 s GLU 239 Cb -0.14 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.02 3iu1 s GLU 239 CO 0.04 -0.00 -0.14 0.15 -0.54 0.00 0.00 175.26 174.77 3iu1 s LYS 240 N 1.09 1.23 -0.12 4.30 -0.14 0.31 -4.96 119.74 121.46 3iu1 s LYS 240 Ca 0.04 -0.51 -0.29 0.00 -1.36 0.00 0.00 55.97 53.84 3iu1 s LYS 240 Cb -0.14 -1.17 -0.03 0.00 -1.68 0.00 0.00 37.83 34.81 3iu1 s LYS 240 CO 0.03 0.28 1.32 0.21 -0.76 0.00 0.00 175.35 176.43 3iu1 s LYS 241 N -0.23 4.25 0.24 1.68 2.47 -1.26 -0.50 119.74 126.38 3iu1 s LYS 241 Ca 0.03 1.77 0.02 0.00 -1.56 0.00 0.00 55.97 56.24 3iu1 s LYS 241 Cb -0.07 -3.75 -0.01 0.00 -1.46 0.00 0.00 37.83 32.55 3iu1 s LYS 241 CO -0.00 -0.67 0.09 -1.33 0.16 0.00 0.00 175.35 173.59 3iu1 n MET 242 N 6.34 0.71 -4.38 4.03 2.81 0.80 -4.57 117.12 122.86 3iu1 n MET 242 Ca 0.14 -2.01 -0.25 0.00 -1.81 0.00 0.00 57.70 53.77 3iu1 n MET 242 Cb 0.45 1.11 -0.12 0.00 -0.71 0.00 0.00 33.22 33.95 3iu1 n MET 242 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3iu1 s VAL 243 N -2.45 2.11 -0.22 2.03 -7.23 -1.03 -1.32 120.40 112.29 3iu1 s VAL 243 Ca 0.12 -1.96 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 3iu1 s VAL 243 Cb 0.01 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 3iu1 s VAL 243 CO 0.09 -0.19 0.09 -1.61 -0.31 0.00 0.00 175.10 173.16 3iu1 s GLU 244 N -2.68 3.85 -0.14 4.82 2.02 0.26 -1.00 118.70 125.84 3iu1 s GLU 244 Ca 0.18 -0.39 -0.12 0.00 0.02 0.00 0.00 54.97 54.66 3iu1 s GLU 244 Cb -0.07 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.79 3iu1 s GLU 244 CO 0.08 0.03 0.24 0.42 0.02 0.00 0.00 175.26 176.05 3iu1 s ILE 245 N 1.06 5.34 0.21 -1.63 -1.09 -0.82 -1.84 121.20 122.42 3iu1 s ILE 245 Ca 0.05 0.44 -0.17 0.00 -2.23 0.00 0.00 60.65 58.73 3iu1 s ILE 245 Cb -0.14 -3.56 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 3iu1 s ILE 245 CO 0.03 0.47 0.53 0.21 -1.23 0.00 0.00 174.94 174.95 3iu1 s ASN 246 N -0.01 -0.24 -1.60 3.58 2.47 -0.88 -4.60 114.94 113.67 3iu1 s ASN 246 Ca 0.15 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 52.88 3iu1 s ASN 246 Cb -0.13 0.59 0.00 0.00 -1.45 0.00 0.00 41.25 40.26 3iu1 s ASN 246 CO 0.04 -1.09 0.00 0.49 -3.72 0.00 0.00 177.10 172.82 3iu1 n PHE 247 N -0.35 -0.74 -1.87 0.43 3.01 -1.26 -1.82 117.46 114.86 3iu1 n PHE 247 Ca -0.08 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.95 3iu1 n PHE 247 Cb 0.62 -3.50 -0.03 0.00 -0.01 0.00 0.00 39.48 36.56 3iu1 n PHE 247 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 3iu1 s LEU 248 N -5.04 4.37 -0.20 4.37 2.96 -1.26 -4.04 118.68 119.85 3iu1 s LEU 248 Ca 0.00 2.50 -0.10 0.00 -0.22 0.00 0.00 54.13 56.30 3iu1 s LEU 248 Cb 0.00 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 43.21 3iu1 s LEU 248 CO 0.00 -0.94 0.47 0.00 -1.32 0.00 0.00 176.35 174.56 3iu1 s VAL 250 N 1.60 2.14 0.39 0.00 1.01 -1.26 -1.01 120.40 123.26 3iu1 s VAL 250 Ca -0.09 -1.01 -0.25 0.00 0.00 0.00 0.00 61.98 60.63 3iu1 s VAL 250 Cb -0.08 -1.80 -0.12 0.00 0.00 0.00 0.00 36.38 34.38 3iu1 s VAL 250 CO -0.14 0.56 0.95 1.57 0.00 0.00 0.00 175.10 178.04 3iu1 n HIS 251 N 3.32 1.00 -0.33 5.22 -0.00 0.25 -4.80 115.22 119.88 3iu1 n HIS 251 Ca -0.18 0.60 0.16 0.00 0.46 0.00 0.00 57.72 58.75 3iu1 n HIS 251 Cb 0.53 -2.21 0.38 0.00 -0.12 0.00 0.00 29.99 28.57 3iu1 n HIS 251 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 3iu1 h LYS 252 N 1.56 0.62 0.00 1.57 1.57 -1.90 0.67 116.57 120.66 3iu1 h LYS 252 Ca -0.43 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 3iu1 h LYS 252 Cb 1.35 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3iu1 h LYS 252 CO 0.57 0.41 0.00 0.87 -0.57 0.00 0.00 179.45 180.73 3iu1 h LYS 253 N 0.64 0.00 -0.35 3.15 1.79 -1.98 -2.89 116.57 116.93 3iu1 h LYS 253 Ca 0.57 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 3iu1 h LYS 253 Cb 1.06 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.71 3iu1 h LYS 253 CO -0.35 0.00 0.00 1.28 -1.08 0.00 0.00 179.45 179.30 3iu1 n LEU 254 N -2.31 3.01 -4.75 2.94 4.77 0.21 -5.04 117.00 115.83 3iu1 n LEU 254 Ca 0.02 -1.69 -0.35 0.00 -0.03 0.00 0.00 56.01 53.95 3iu1 n LEU 254 Cb 0.24 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.14 3iu1 n LEU 254 CO 0.21 0.70 0.81 -0.13 -1.33 0.00 0.00 177.39 177.65 3iu1 s ARG 255 N -1.10 2.90 -1.59 3.23 1.81 -1.09 -3.55 118.95 119.56 3iu1 s ARG 255 Ca 0.28 1.73 -0.02 0.00 -1.72 0.00 0.00 55.73 56.01 3iu1 s ARG 255 Cb 0.16 -1.93 0.00 0.00 -0.45 0.00 0.00 34.95 32.73 3iu1 s ARG 255 CO 0.21 -1.24 0.24 0.43 -0.68 0.00 0.00 175.30 174.26 3iu1 n SER 256 N -1.79 -5.73 -0.25 0.23 7.64 -1.26 -4.88 113.62 107.57 3iu1 n SER 256 Ca 0.13 -0.12 0.08 0.00 1.01 0.00 0.00 58.87 59.97 3iu1 n SER 256 Cb 0.50 -4.68 0.15 0.00 -1.01 0.00 0.00 64.21 59.17 3iu1 n SER 256 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3iu1 n LYS 257 N -3.27 1.92 -2.68 1.43 5.02 -1.23 -4.99 118.16 114.36 3iu1 n LYS 257 Ca -0.18 -2.46 -0.21 0.00 -2.02 0.00 0.00 58.31 53.43 3iu1 n LYS 257 Cb 0.65 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.18 3iu1 n LYS 257 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iu1 n ARG 258 N -1.04 -3.01 0.08 1.97 5.12 -1.26 -4.90 116.66 113.62 3iu1 n ARG 258 Ca 0.15 0.92 -0.14 0.00 -1.93 0.00 0.00 57.85 56.86 3iu1 n ARG 258 Cb 0.63 -5.66 -0.07 0.00 -1.16 0.00 0.00 32.46 26.20 3iu1 n ARG 258 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3iu1 h VAL 259 N -0.56 1.44 -0.40 1.55 2.07 -1.94 -3.35 116.25 115.05 3iu1 h VAL 259 Ca -0.49 -2.65 0.05 0.00 0.82 0.00 0.00 66.70 64.43 3iu1 h VAL 259 Cb 1.35 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 33.66 3iu1 h VAL 259 CO 0.56 0.78 0.14 0.00 0.02 0.00 0.00 177.57 179.08 3iu1 h ALA 260 N 0.72 0.47 -0.75 1.67 0.00 -1.95 -1.69 119.26 117.74 3iu1 h ALA 260 Ca -0.09 0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3iu1 h ALA 260 Cb 1.68 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.45 3iu1 h ALA 260 CO 0.17 -0.24 0.49 -1.35 0.00 0.00 0.00 179.25 178.32 3iu1 h PRO 261 N 0.31 0.71 -0.37 0.00 0.11 -1.99 -0.37 132.00 130.39 3iu1 h PRO 261 Ca 0.18 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.20 3iu1 h PRO 261 Cb 0.16 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 3iu1 h PRO 261 CO -0.19 0.47 0.03 0.28 -0.21 0.00 0.00 178.00 178.39 3iu1 h VAL 262 N 0.73 1.25 -0.73 3.15 2.07 -1.49 -0.55 116.25 120.68 3iu1 h VAL 262 Ca 0.34 -0.91 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3iu1 h VAL 262 Cb 0.36 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 3iu1 h VAL 262 CO -0.12 0.31 0.48 -0.07 0.02 0.00 0.00 177.57 178.19 3iu1 h LEU 263 N 0.47 0.82 -0.21 2.57 3.38 -0.67 -0.08 115.31 121.59 3iu1 h LEU 263 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3iu1 h LEU 263 Cb 0.41 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3iu1 h LEU 263 CO 0.01 0.59 -0.03 0.40 0.09 0.00 0.00 178.44 179.50 3iu1 h ILE 264 N 0.97 1.27 -0.62 1.22 2.04 -0.94 -1.27 117.51 120.19 3iu1 h ILE 264 Ca 0.27 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 3iu1 h ILE 264 Cb -0.09 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3iu1 h ILE 264 CO -0.07 0.30 0.19 0.03 0.00 0.00 0.00 178.15 178.60 3iu1 h ARG 265 N 0.13 0.94 -0.32 2.37 3.08 -0.98 -1.07 114.38 118.52 3iu1 h ARG 265 Ca 0.06 -0.18 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 3iu1 h ARG 265 Cb 0.46 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3iu1 h ARG 265 CO 0.02 0.81 -0.17 1.49 -1.07 0.00 0.00 179.97 181.05 3iu1 h GLU 266 N 0.91 0.69 -0.28 0.04 4.57 -0.86 -0.82 114.58 118.82 3iu1 h GLU 266 Ca 0.20 -0.31 -0.10 0.00 -1.18 0.00 0.00 59.36 57.97 3iu1 h GLU 266 Cb 0.27 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3iu1 h GLU 266 CO -0.01 0.91 -0.24 0.97 -1.18 0.00 0.00 179.01 179.45 3iu1 h ILE 267 N 0.45 1.27 -0.22 2.32 6.09 -1.15 -1.57 117.51 124.70 3iu1 h ILE 267 Ca 0.07 -1.29 0.03 0.00 -1.37 0.00 0.00 64.86 62.30 3iu1 h ILE 267 Cb 0.71 1.32 -0.03 0.00 0.47 0.00 0.00 36.82 39.29 3iu1 h ILE 267 CO 0.05 0.41 0.05 0.74 -3.07 0.00 0.00 178.15 176.33 3iu1 h THR 268 N 0.48 0.91 -0.27 2.19 2.02 -0.99 -0.30 112.91 116.96 3iu1 h THR 268 Ca 0.07 -0.05 0.02 0.00 0.77 0.00 0.00 66.41 67.23 3iu1 h THR 268 Cb 0.68 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3iu1 h THR 268 CO 0.05 0.03 0.11 -0.09 0.37 0.00 0.00 175.52 175.99 3iu1 h ARG 269 N 0.14 0.24 -0.24 6.66 2.43 -0.90 0.86 114.38 123.56 3iu1 h ARG 269 Ca 0.10 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3iu1 h ARG 269 Cb 0.09 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3iu1 h ARG 269 CO -0.13 0.16 -0.07 0.00 -1.51 0.00 0.00 179.97 178.42 3iu1 h ARG 270 N 0.24 0.38 -0.12 0.20 3.08 -1.00 -1.39 114.38 115.78 3iu1 h ARG 270 Ca 0.12 -0.09 -0.16 0.00 0.07 0.00 0.00 59.98 59.92 3iu1 h ARG 270 Cb 0.06 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.07 3iu1 h ARG 270 CO -0.10 0.47 -0.54 0.28 -1.07 0.00 0.00 179.97 179.01 3iu1 h VAL 271 N 0.37 1.35 -0.90 2.04 2.07 -0.76 -3.23 116.25 117.19 3iu1 h VAL 271 Ca 0.08 -1.84 0.09 0.00 0.82 0.00 0.00 66.70 65.85 3iu1 h VAL 271 Cb 0.36 2.13 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 3iu1 h VAL 271 CO 0.02 0.56 0.58 0.45 0.02 0.00 0.00 177.57 179.20 3iu1 h HIS 272 N 0.20 0.99 -0.07 1.57 3.86 -0.40 -1.08 115.15 120.21 3iu1 h HIS 272 Ca -0.03 0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3iu1 h HIS 272 Cb 1.18 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 29.33 3iu1 h HIS 272 CO 0.11 0.47 0.06 -0.07 0.86 0.00 0.00 177.93 179.35 3iu1 h LEU 273 N 0.93 0.00 -1.54 2.43 3.38 -1.28 -0.31 115.31 118.92 3iu1 h LEU 273 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3iu1 h LEU 273 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3iu1 h LEU 273 CO -0.17 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 177.74 3iu1 n GLU 274 N -4.30 1.98 -0.91 1.13 -0.58 -0.42 -4.93 120.64 112.61 3iu1 n GLU 274 Ca -0.01 -1.51 0.00 0.00 -0.42 0.00 0.00 57.16 55.22 3iu1 n GLU 274 Cb 0.16 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 3iu1 n GLU 274 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3iu1 n GLY 275 N 1.21 0.47 3.57 0.62 0.00 -0.13 -5.04 105.19 105.90 3iu1 n GLY 275 Ca 0.16 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 3iu1 n GLY 275 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iu1 s ILE 276 N -2.00 4.18 0.00 -0.61 1.01 -1.15 -5.00 121.20 117.63 3iu1 s ILE 276 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3iu1 s ILE 276 Cb 0.00 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3iu1 s ILE 276 CO 0.00 0.51 0.51 0.49 0.00 0.00 0.00 174.94 176.46 3iu1 n PHE 277 N 3.19 0.00 -4.25 3.97 3.72 -1.26 -3.56 117.46 119.27 3iu1 n PHE 277 Ca -0.17 -0.11 -0.20 0.00 -0.05 0.00 0.00 57.45 56.91 3iu1 n PHE 277 Cb 0.53 -0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 38.94 3iu1 n PHE 277 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3iu1 s GLN 278 N -0.23 1.03 0.06 -1.08 1.11 -1.26 -4.64 119.66 114.65 3iu1 s GLN 278 Ca 0.00 -1.18 -0.04 0.00 0.01 0.00 0.00 55.36 54.15 3iu1 s GLN 278 Cb 0.00 -1.05 -0.02 0.00 -1.01 0.00 0.00 33.01 30.93 3iu1 s GLN 278 CO 0.00 0.22 0.06 0.00 0.01 0.00 0.00 175.29 175.58 3iu1 s ALA 279 N -1.70 0.16 0.02 6.09 0.00 -1.13 -2.46 121.76 122.74 3iu1 s ALA 279 Ca 0.07 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.22 3iu1 s ALA 279 Cb -0.07 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.35 3iu1 s ALA 279 CO 0.04 -0.40 -0.23 0.54 0.00 0.00 0.00 175.76 175.71 3iu1 s VAL 280 N -3.57 1.83 0.09 0.00 0.11 -0.17 -0.33 120.40 118.37 3iu1 s VAL 280 Ca 0.03 -1.18 -0.25 0.00 -2.93 0.00 0.00 61.98 57.66 3iu1 s VAL 280 Cb 0.05 -1.56 0.07 0.00 -1.53 0.00 0.00 36.38 33.40 3iu1 s VAL 280 CO -0.09 0.35 0.61 -0.72 -3.33 0.00 0.00 175.10 171.92 3iu1 s TYR 281 N -0.71 -0.56 0.19 1.54 -0.85 -0.79 -1.95 117.35 114.22 3iu1 s TYR 281 Ca 0.09 0.56 0.11 0.00 -0.52 0.00 0.00 57.07 57.31 3iu1 s TYR 281 Cb -0.09 0.50 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 3iu1 s TYR 281 CO 0.01 -0.77 -0.22 0.95 -1.52 0.00 0.00 175.55 174.00 3iu1 s THR 282 N -2.93 2.23 -0.02 -3.49 -4.23 -1.26 -0.42 115.64 105.51 3iu1 s THR 282 Ca -0.03 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.18 3iu1 s THR 282 Cb -0.01 -2.07 0.06 0.00 1.34 0.00 0.00 72.50 71.82 3iu1 s THR 282 CO -0.06 -0.20 0.56 0.00 -0.54 0.00 0.00 174.62 174.39 3iu1 s ALA 283 N -1.85 -1.46 -0.21 3.99 0.00 -0.70 -4.99 121.76 116.54 3iu1 s ALA 283 Ca 0.20 0.95 0.27 0.00 0.00 0.00 0.00 51.96 53.38 3iu1 s ALA 283 Cb -0.07 0.10 0.76 0.00 0.00 0.00 0.00 23.12 23.91 3iu1 s ALA 283 CO 0.10 -0.38 1.76 0.78 0.00 0.00 0.00 175.76 178.02 3iu1 h GLY 284 N 3.14 0.00 -3.36 0.00 0.00 -1.87 -0.12 103.07 100.85 3iu1 h GLY 284 Ca -0.28 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.52 3iu1 h GLY 284 CO 0.40 0.00 -0.09 -1.34 0.00 0.00 0.00 176.54 175.51 3iu1 s VAL 285 N -3.40 4.93 -0.20 4.60 -7.23 -1.26 -4.53 120.40 113.31 3iu1 s VAL 285 Ca 0.05 0.41 -0.25 0.00 -1.81 0.00 0.00 61.98 60.38 3iu1 s VAL 285 Cb 0.07 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.34 3iu1 s VAL 285 CO 0.62 -0.18 0.84 -0.69 -0.31 0.00 0.00 175.10 175.38 3iu1 s VAL 286 N -1.94 4.86 0.17 1.32 1.01 -1.26 -4.80 120.40 119.76 3iu1 s VAL 286 Ca 0.47 1.62 0.03 0.00 0.00 0.00 0.00 61.98 64.11 3iu1 s VAL 286 Cb -0.11 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3iu1 s VAL 286 CO 0.24 -0.02 -0.04 -0.76 0.00 0.00 0.00 175.10 174.52 3iu1 s LEU 287 N 2.45 2.32 -0.06 3.92 1.43 -1.26 -5.11 118.68 122.38 3iu1 s LEU 287 Ca 0.37 -1.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.06 3iu1 s LEU 287 Cb -0.16 -0.23 -0.05 0.00 0.03 0.00 0.00 46.19 45.79 3iu1 s LEU 287 CO 0.10 -0.45 1.46 -2.84 0.23 0.00 0.00 176.35 174.85 3iu1 s PRO 288 N -3.83 4.23 -0.07 1.29 0.02 -1.26 -3.51 135.00 131.86 3iu1 s PRO 288 Ca 0.22 1.98 -0.03 0.00 0.02 0.00 0.00 61.00 63.18 3iu1 s PRO 288 Cb 0.05 -3.77 0.04 0.00 0.02 0.00 0.00 34.50 30.84 3iu1 s PRO 288 CO 0.03 -0.71 0.16 0.21 -0.33 0.00 0.00 177.00 176.37 3iu1 s LYS 289 N 3.27 0.11 0.32 5.54 2.20 -1.25 -4.74 119.74 125.19 3iu1 s LYS 289 Ca 0.65 0.40 -0.29 0.00 -0.36 0.00 0.00 55.97 56.37 3iu1 s LYS 289 Cb -0.30 -0.17 -0.12 0.00 -1.51 0.00 0.00 37.83 35.73 3iu1 s LYS 289 CO 0.25 -0.17 1.52 -2.30 -0.36 0.00 0.00 175.35 174.29 3iu1 n PRO 290 N 4.23 2.61 0.04 4.03 -0.02 -1.23 -4.68 135.00 139.98 3iu1 n PRO 290 Ca -0.26 0.92 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3iu1 n PRO 290 Cb 0.52 -2.67 0.10 0.00 -0.02 0.00 0.00 33.50 31.43 3iu1 n PRO 290 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3iu1 n VAL 291 N 1.37 0.22 -3.59 -1.45 0.24 0.47 -4.78 118.33 110.80 3iu1 n VAL 291 Ca 0.06 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 62.02 3iu1 n VAL 291 Cb 0.37 0.10 -0.06 0.00 -1.47 0.00 0.00 33.84 32.78 3iu1 n VAL 291 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3iu1 s GLY 292 N -3.58 -0.30 -0.15 7.63 0.00 -1.20 -0.30 107.32 109.41 3iu1 s GLY 292 Ca 0.05 2.10 0.01 0.00 0.00 0.00 0.00 44.72 46.89 3iu1 s GLY 292 CO 0.76 1.31 -0.17 -1.59 0.00 0.00 0.00 173.10 173.41 3iu1 s THR 293 N -0.62 1.74 0.31 0.90 2.01 -1.26 -0.52 115.64 118.20 3iu1 s THR 293 Ca -0.02 -0.75 0.09 0.00 0.31 0.00 0.00 61.69 61.33 3iu1 s THR 293 Cb -0.02 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 3iu1 s THR 293 CO 0.01 0.49 0.01 0.00 -0.69 0.00 0.00 174.62 174.43 3iu1 s ARG 295 N -3.71 2.10 0.23 0.00 1.81 -1.26 -0.20 118.95 117.93 3iu1 s ARG 295 Ca 0.34 -0.69 -0.30 0.00 -1.72 0.00 0.00 55.73 53.36 3iu1 s ARG 295 Cb -0.03 -1.76 -0.09 0.00 -0.45 0.00 0.00 34.95 32.62 3iu1 s ARG 295 CO 0.20 0.25 1.03 0.71 -0.68 0.00 0.00 175.30 176.80 3iu1 s TYR 296 N 0.09 3.74 0.12 -0.53 2.02 -1.26 -1.85 117.35 119.69 3iu1 s TYR 296 Ca -0.07 1.77 0.10 0.00 -0.37 0.00 0.00 57.07 58.50 3iu1 s TYR 296 Cb -0.13 -3.16 -0.04 0.00 -0.40 0.00 0.00 41.96 38.23 3iu1 s TYR 296 CO 0.03 -0.15 -0.25 -1.58 -1.57 0.00 0.00 175.55 172.03 3iu1 s TRP 297 N -0.91 2.18 -0.04 2.71 0.52 0.73 -0.89 118.94 123.23 3iu1 s TRP 297 Ca 0.44 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 56.23 3iu1 s TRP 297 Cb -0.29 -1.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 3iu1 s TRP 297 CO 0.36 0.30 -0.22 -1.01 0.02 0.00 0.00 176.95 176.40 3iu1 s HIS 298 N -1.08 2.07 -0.27 -1.98 3.76 0.32 -1.43 115.29 116.67 3iu1 s HIS 298 Ca 0.12 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.50 3iu1 s HIS 298 Cb -0.10 -1.35 0.03 0.00 1.11 0.00 0.00 32.58 32.27 3iu1 s HIS 298 CO 0.05 -0.12 -0.02 0.50 -0.85 0.00 0.00 174.74 174.30 3iu1 s ARG 299 N -0.28 2.70 0.16 1.40 3.00 0.68 0.06 118.95 126.66 3iu1 s ARG 299 Ca 0.02 -1.08 -0.31 0.00 -1.00 0.00 0.00 55.73 53.35 3iu1 s ARG 299 Cb -0.11 -3.10 -0.10 0.00 0.00 0.00 0.00 34.95 31.64 3iu1 s ARG 299 CO 0.01 -0.49 1.61 -1.12 0.00 0.00 0.00 175.30 175.31 3iu1 s SER 300 N 1.31 6.56 -0.09 -2.12 0.01 -1.26 -1.24 113.70 116.87 3iu1 s SER 300 Ca -0.02 2.64 0.03 0.00 1.31 0.00 0.00 55.95 59.91 3iu1 s SER 300 Cb -0.18 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.38 3iu1 s SER 300 CO -0.02 -0.86 -0.05 0.18 0.41 0.00 0.00 173.24 172.90 3iu1 n LEU 301 N 4.23 1.97 -3.50 2.44 4.77 -0.41 -4.79 117.00 121.71 3iu1 n LEU 301 Ca 0.14 -0.04 -0.27 0.00 -0.03 0.00 0.00 56.01 55.82 3iu1 n LEU 301 Cb 0.38 -0.17 -0.09 0.00 -2.33 0.00 0.00 43.42 41.21 3iu1 n LEU 301 CO 0.62 0.51 0.00 -3.20 -1.33 0.00 0.00 177.39 173.99 3iu1 n ASN 302 N -2.63 3.08 0.14 -1.43 2.85 -0.42 -4.96 115.26 111.88 3iu1 n ASN 302 Ca -0.16 -3.28 0.06 0.00 -0.11 0.00 0.00 54.58 51.08 3iu1 n ASN 302 Cb 0.72 -0.68 0.52 0.00 1.24 0.00 0.00 39.78 41.57 3iu1 n ASN 302 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3iu1 h PRO 303 N 4.46 0.24 -0.14 1.20 0.13 -1.87 -1.84 132.00 134.18 3iu1 h PRO 303 Ca 0.18 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.31 3iu1 h PRO 303 Cb 0.71 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 3iu1 h PRO 303 CO 0.76 0.20 -0.00 -0.09 -0.23 0.00 0.00 178.00 178.63 3iu1 h ARG 304 N 0.24 0.04 -0.33 0.86 2.43 -1.95 -0.19 114.38 115.48 3iu1 h ARG 304 Ca 0.06 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 3iu1 h ARG 304 Cb 0.05 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 3iu1 h ARG 304 CO -0.01 0.03 -0.01 -0.22 -1.51 0.00 0.00 179.97 178.25 3iu1 h LYS 305 N 0.04 0.59 -0.85 0.20 3.64 -1.87 -1.92 116.57 116.40 3iu1 h LYS 305 Ca 0.07 -0.19 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3iu1 h LYS 305 Cb 0.08 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3iu1 h LYS 305 CO -0.11 0.72 0.56 -0.07 -2.27 0.00 0.00 179.45 178.28 3iu1 h LEU 306 N 0.39 0.90 0.01 5.20 3.38 -1.11 -1.05 115.31 123.02 3iu1 h LEU 306 Ca 0.09 -0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 3iu1 h LEU 306 Cb 0.46 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.03 3iu1 h LEU 306 CO 0.02 0.61 -1.05 0.40 0.09 0.00 0.00 178.44 178.51 3iu1 h ILE 307 N 1.04 1.28 -0.83 1.22 2.04 -1.02 0.12 117.51 121.36 3iu1 h ILE 307 Ca 0.34 -2.25 0.06 0.00 1.00 0.00 0.00 64.86 64.01 3iu1 h ILE 307 Cb 0.06 2.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 3iu1 h ILE 307 CO -0.11 0.70 0.50 -0.33 0.00 0.00 0.00 178.15 178.91 3iu1 h GLU 308 N 0.38 0.89 -0.12 2.37 5.08 -0.82 -1.92 114.58 120.44 3iu1 h GLU 308 Ca -0.13 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3iu1 h GLU 308 Cb 1.70 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.75 3iu1 h GLU 308 CO 0.21 0.59 0.00 1.33 -1.00 0.00 0.00 179.01 180.13 3iu1 n VAL 309 N -4.65 0.14 -2.39 3.13 0.24 -0.45 -4.94 118.33 109.41 3iu1 n VAL 309 Ca 0.12 -0.35 -0.17 0.00 -2.04 0.00 0.00 64.34 61.90 3iu1 n VAL 309 Cb 0.18 0.53 -0.00 0.00 -1.47 0.00 0.00 33.84 33.08 3iu1 n VAL 309 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3iu1 n LYS 310 N 0.42 -1.67 -0.04 7.34 5.02 -0.72 -4.90 118.16 123.60 3iu1 n LYS 310 Ca 0.17 0.80 -0.14 0.00 -2.02 0.00 0.00 58.31 57.12 3iu1 n LYS 310 Cb 0.38 -5.23 -0.02 0.00 -0.02 0.00 0.00 35.03 30.14 3iu1 n LYS 310 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3iu1 h PHE 311 N -0.15 0.99 -2.60 2.13 3.57 -1.06 -3.46 116.94 116.35 3iu1 h PHE 311 Ca -0.40 -0.37 -0.51 0.00 3.53 0.00 0.00 57.97 60.22 3iu1 h PHE 311 Cb 1.29 -0.18 -0.14 0.00 2.79 0.00 0.00 35.95 39.72 3iu1 h PHE 311 CO 0.44 1.18 -0.59 -1.54 -2.23 0.00 0.00 178.31 175.57 3iu1 s SER 312 N -6.98 2.64 0.16 0.41 1.04 -0.58 -5.00 113.70 105.38 3iu1 s SER 312 Ca -0.10 -1.43 0.06 0.00 0.48 0.00 0.00 55.95 54.96 3iu1 s SER 312 Cb 0.10 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 3iu1 s SER 312 CO 0.88 -0.65 -0.12 -1.38 0.98 0.00 0.00 173.24 172.95 3iu1 s HIS 313 N -3.22 1.42 0.00 5.02 -3.43 -1.26 -4.15 115.29 109.67 3iu1 s HIS 313 Ca 0.33 -0.66 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 3iu1 s HIS 313 Cb 0.08 -0.70 0.00 0.00 -1.43 0.00 0.00 32.58 30.52 3iu1 s HIS 313 CO 0.15 0.18 0.00 1.28 -2.00 0.00 0.00 174.74 174.35 3iu1 n LEU 314 N -0.09 0.00 0.00 5.38 4.77 -1.26 -5.02 117.00 120.77 3iu1 n LEU 314 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3iu1 n LEU 314 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3iu1 n LEU 314 CO 0.32 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.97 3iu1 n ASN 317 N 0.00 0.00 -3.99 -1.43 3.02 -1.26 -5.12 115.26 106.48 3iu1 n ASN 317 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 3iu1 n ASN 317 Cb 0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.02 3iu1 n ASN 317 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3iu1 s MET 318 N 0.00 0.85 0.72 3.52 -1.94 -1.26 -5.13 119.30 116.06 3iu1 s MET 318 Ca 0.00 -0.27 -0.09 0.00 -1.71 0.00 0.00 55.69 53.62 3iu1 s MET 318 Cb 0.00 -0.80 0.05 0.00 2.01 0.00 0.00 34.83 36.09 3iu1 s MET 318 CO 0.00 0.10 1.07 0.95 -0.01 0.00 0.00 175.02 177.13 3iu1 s THR 319 N 0.19 2.62 0.27 2.05 -4.23 -1.26 -4.92 115.64 110.36 3iu1 s THR 319 Ca -0.03 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.48 3iu1 s THR 319 Cb -0.08 -3.16 0.16 0.00 1.34 0.00 0.00 72.50 70.76 3iu1 s THR 319 CO 0.00 -0.19 1.82 -0.03 -0.54 0.00 0.00 174.62 175.68 3iu1 h MET 320 N -0.71 0.86 -0.56 3.99 4.05 -2.01 -0.60 114.93 119.96 3iu1 h MET 320 Ca -0.45 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 58.78 3iu1 h MET 320 Cb 1.30 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.94 3iu1 h MET 320 CO 0.63 0.77 0.29 0.37 0.23 0.00 0.00 176.91 179.20 3iu1 h GLN 321 N 0.83 0.78 -0.55 0.39 4.15 -1.99 -0.13 115.11 118.60 3iu1 h GLN 321 Ca 0.18 -0.10 -0.10 0.00 0.77 0.00 0.00 58.65 59.41 3iu1 h GLN 321 Cb 0.28 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 3iu1 h GLN 321 CO -0.00 0.61 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.39 3iu1 h ARG 322 N 0.75 0.99 -0.45 1.69 9.65 -1.89 -2.36 114.38 122.76 3iu1 h ARG 322 Ca 0.19 -0.33 -0.03 0.00 -1.10 0.00 0.00 59.98 58.72 3iu1 h ARG 322 Cb 0.07 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 28.55 3iu1 h ARG 322 CO -0.03 1.00 0.18 1.15 2.80 0.00 0.00 179.97 185.07 3iu1 h THR 323 N 0.86 1.20 -0.34 0.20 2.02 -0.80 0.27 112.91 116.32 3iu1 h THR 323 Ca 0.15 -0.63 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 3iu1 h THR 323 Cb 0.58 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3iu1 h THR 323 CO 0.03 0.23 -0.13 0.24 0.37 0.00 0.00 175.52 176.27 3iu1 h MET 324 N 0.58 0.59 -0.22 6.66 2.86 -1.03 -2.05 114.93 122.33 3iu1 h MET 324 Ca 0.15 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.57 3iu1 h MET 324 Cb 0.20 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 3iu1 h MET 324 CO -0.01 0.71 -0.02 -0.22 1.06 0.00 0.00 176.91 178.43 3iu1 h LYS 325 N 0.54 0.40 -0.58 1.72 3.64 -1.13 -2.30 116.57 118.87 3iu1 h LYS 325 Ca 0.10 -0.14 0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3iu1 h LYS 325 Cb 0.54 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 3iu1 h LYS 325 CO 0.03 0.60 0.14 1.25 -2.27 0.00 0.00 179.45 179.21 3iu1 h LEU 326 N 0.15 0.06 -1.32 5.20 5.85 -0.18 -2.66 115.31 122.42 3iu1 h LEU 326 Ca 0.06 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3iu1 h LEU 326 Cb 0.43 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3iu1 h LEU 326 CO 0.01 0.04 -0.01 -1.22 -0.34 0.00 0.00 178.44 176.93 3iu1 n TYR 327 N -5.09 0.00 -1.97 1.25 4.01 -0.80 -4.96 117.16 109.61 3iu1 n TYR 327 Ca 0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.41 3iu1 n TYR 327 Cb 0.29 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.31 3iu1 n TYR 327 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3iu1 s ARG 328 N -2.01 4.24 0.19 -0.72 3.52 -0.87 -4.88 118.95 118.42 3iu1 s ARG 328 Ca 0.34 2.38 0.10 0.00 -0.13 0.00 0.00 55.73 58.41 3iu1 s ARG 328 Cb 0.21 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.51 3iu1 s ARG 328 CO 0.33 -0.38 -0.20 -0.51 -0.81 0.00 0.00 175.30 173.73 3iu1 s LEU 329 N -1.55 2.46 0.72 -0.88 1.43 -1.26 -5.05 118.68 114.55 3iu1 s LEU 329 Ca 0.53 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.58 3iu1 s LEU 329 Cb -0.43 -0.95 0.02 0.00 0.03 0.00 0.00 46.19 44.86 3iu1 s LEU 329 CO 0.54 0.01 1.12 -2.65 0.23 0.00 0.00 176.35 175.60 3iu1 n PRO 330 N 0.13 0.62 0.16 1.29 -0.02 -1.26 -4.93 135.00 130.99 3iu1 n PRO 330 Ca -0.12 0.27 0.13 0.00 -2.02 0.00 0.00 63.50 61.76 3iu1 n PRO 330 Cb 0.57 -2.36 0.30 0.00 -0.02 0.00 0.00 33.50 31.99 3iu1 n PRO 330 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3iu1 h GLU 331 N -0.16 0.00 -4.53 -0.52 4.11 -2.00 -3.46 114.58 108.02 3iu1 h GLU 331 Ca -0.48 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.68 3iu1 h GLU 331 Cb 1.33 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.36 3iu1 h GLU 331 CO 0.49 0.00 -0.73 0.95 0.07 0.00 0.00 179.01 179.78 3iu1 s THR 332 N -3.15 0.52 0.71 -1.06 -4.23 -1.26 -4.92 115.64 102.25 3iu1 s THR 332 Ca 0.09 -1.04 -0.15 0.00 -1.18 0.00 0.00 61.69 59.41 3iu1 s THR 332 Cb 0.09 -0.58 0.03 0.00 1.34 0.00 0.00 72.50 73.38 3iu1 s THR 332 CO 0.63 -0.37 1.18 -2.84 -0.54 0.00 0.00 174.62 172.69 3iu1 s PRO 333 N -1.51 2.29 -0.04 3.99 0.02 -1.26 -4.99 135.00 133.50 3iu1 s PRO 333 Ca -0.10 1.67 0.21 0.00 0.02 0.00 0.00 61.00 62.80 3iu1 s PRO 333 Cb -0.10 -1.86 -0.30 0.00 0.02 0.00 0.00 34.50 32.26 3iu1 s PRO 333 CO 0.00 -1.70 0.45 0.36 -0.33 0.00 0.00 177.00 175.79 3iu1 n LYS 334 N -2.65 0.66 -2.15 5.54 2.85 -1.26 -4.96 118.16 116.20 3iu1 n LYS 334 Ca 0.13 -0.14 -0.42 0.00 -1.05 0.00 0.00 58.31 56.82 3iu1 n LYS 334 Cb 0.51 -1.54 -0.03 0.00 -0.65 0.00 0.00 35.03 33.32 3iu1 n LYS 334 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3iu1 s THR 335 N -3.33 3.63 0.15 0.58 2.01 -1.26 -4.94 115.64 112.47 3iu1 s THR 335 Ca -0.08 0.95 -0.33 0.00 0.31 0.00 0.00 61.69 62.54 3iu1 s THR 335 Cb 0.12 -3.61 -0.13 0.00 0.01 0.00 0.00 72.50 68.89 3iu1 s THR 335 CO 0.89 -0.03 1.69 0.00 -0.69 0.00 0.00 174.62 176.48 3iu1 n ALA 336 N 5.91 1.87 -0.96 7.40 0.00 -1.26 -2.85 120.51 130.63 3iu1 n ALA 336 Ca 0.15 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3iu1 n ALA 336 Cb 0.43 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.43 3iu1 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iu1 n GLY 337 N 3.79 0.52 3.71 0.00 0.00 -1.26 -4.60 105.19 107.35 3iu1 n GLY 337 Ca 0.17 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3iu1 n GLY 337 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu1 s LEU 338 N 0.00 4.37 0.12 0.99 2.96 -1.13 -1.17 118.68 124.81 3iu1 s LEU 338 Ca 0.00 2.39 -0.20 0.00 -0.22 0.00 0.00 54.13 56.11 3iu1 s LEU 338 Cb 0.00 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.15 3iu1 s LEU 338 CO 0.00 -0.71 0.49 0.00 -1.32 0.00 0.00 176.35 174.82 3iu1 s ARG 339 N 1.22 1.13 0.61 1.98 1.70 -0.35 -4.98 118.95 120.26 3iu1 s ARG 339 Ca 0.66 -0.52 -0.19 0.00 -0.47 0.00 0.00 55.73 55.21 3iu1 s ARG 339 Cb -0.38 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.48 3iu1 s ARG 339 CO 0.30 -0.45 1.31 -2.14 -1.08 0.00 0.00 175.30 173.24 3iu1 s PRO 340 N -3.47 2.77 0.33 3.89 0.02 -1.26 -0.15 135.00 137.13 3iu1 s PRO 340 Ca 0.00 2.10 -0.29 0.00 0.02 0.00 0.00 61.00 62.84 3iu1 s PRO 340 Cb 0.00 -1.98 -0.11 0.00 0.02 0.00 0.00 34.50 32.44 3iu1 s PRO 340 CO -0.10 -1.44 1.44 1.41 -0.33 0.00 0.00 177.00 177.98 3iu1 s MET 341 N -3.23 4.21 0.39 5.54 1.75 0.11 -4.61 119.30 123.46 3iu1 s MET 341 Ca 0.79 2.43 0.07 0.00 -1.25 0.00 0.00 55.69 57.72 3iu1 s MET 341 Cb -0.38 -3.03 -0.08 0.00 2.84 0.00 0.00 34.83 34.18 3iu1 s MET 341 CO 0.42 -0.43 0.01 -1.21 -0.65 0.00 0.00 175.02 173.15 3iu1 s GLU 342 N -1.46 1.90 0.26 4.11 2.02 -1.26 -4.58 118.70 119.70 3iu1 s GLU 342 Ca 0.54 -2.07 -0.01 0.00 0.02 0.00 0.00 54.97 53.46 3iu1 s GLU 342 Cb -0.44 -1.54 0.53 0.00 0.10 0.00 0.00 34.13 32.78 3iu1 s GLU 342 CO 0.54 -0.05 1.77 1.15 0.02 0.00 0.00 175.26 178.70 3iu1 h THR 343 N 1.84 0.75 0.00 3.63 2.02 -2.03 -0.03 112.91 119.10 3iu1 h THR 343 Ca -0.43 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.52 3iu1 h THR 343 Cb 1.24 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3iu1 h THR 343 CO 0.79 0.12 0.00 0.07 0.37 0.00 0.00 175.52 176.87 3iu1 h LYS 344 N 0.66 0.00 0.00 6.66 2.10 -2.02 -2.36 116.57 121.61 3iu1 h LYS 344 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 3iu1 h LYS 344 Cb 0.64 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.97 3iu1 h LYS 344 CO -0.35 0.00 -0.52 -0.25 -2.00 0.00 0.00 179.45 176.33 3iu1 n ASP 345 N -2.37 0.52 -0.14 7.07 8.00 -0.02 -4.43 116.55 125.18 3iu1 n ASP 345 Ca -0.01 -0.27 -0.03 0.00 0.71 0.00 0.00 54.79 55.19 3iu1 n ASP 345 Cb 0.10 0.27 0.04 0.00 -0.02 0.00 0.00 41.12 41.52 3iu1 n ASP 345 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3iu1 h ILE 346 N 0.00 0.65 -0.35 0.53 2.04 -1.47 -0.31 117.51 118.60 3iu1 h ILE 346 Ca 0.00 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3iu1 h ILE 346 Cb 0.50 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 3iu1 h ILE 346 CO 0.00 0.02 0.14 -0.65 0.00 0.00 0.00 178.15 177.66 3iu1 h PRO 347 N 0.11 0.52 -0.18 2.37 0.11 -1.82 -1.34 132.00 131.77 3iu1 h PRO 347 Ca 0.22 -0.09 -0.12 0.00 0.11 0.00 0.00 66.00 66.12 3iu1 h PRO 347 Cb 0.33 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 3iu1 h PRO 347 CO -0.37 0.51 -0.41 -0.24 -0.21 0.00 0.00 178.00 177.27 3iu1 h VAL 348 N 0.42 1.31 -0.49 3.15 3.04 -1.77 -0.08 116.25 121.83 3iu1 h VAL 348 Ca 0.12 -1.57 -0.02 0.00 -1.01 0.00 0.00 66.70 64.22 3iu1 h VAL 348 Cb 0.18 1.62 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 3iu1 h VAL 348 CO -0.01 0.48 0.24 0.58 -1.01 0.00 0.00 177.57 177.85 3iu1 h VAL 349 N 0.36 1.19 -0.36 1.51 2.07 -0.97 0.19 116.25 120.23 3iu1 h VAL 349 Ca 0.03 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.08 3iu1 h VAL 349 Cb 0.88 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3iu1 h VAL 349 CO 0.07 0.20 0.13 -0.74 0.02 0.00 0.00 177.57 177.25 3iu1 h HIS 350 N 0.64 0.22 -0.03 1.57 6.17 -0.82 -0.03 115.15 122.88 3iu1 h HIS 350 Ca 0.17 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.27 3iu1 h HIS 350 Cb 0.10 -0.05 -0.00 0.00 2.52 0.00 0.00 27.41 29.99 3iu1 h HIS 350 CO -0.01 0.09 0.02 0.37 0.71 0.00 0.00 177.93 179.11 3iu1 h GLN 351 N 0.28 0.04 -0.17 5.26 4.15 -0.66 -1.17 115.11 122.83 3iu1 h GLN 351 Ca 0.17 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.59 3iu1 h GLN 351 Cb 0.14 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3iu1 h GLN 351 CO -0.17 0.04 0.10 -0.07 -1.93 0.00 0.00 178.83 176.79 3iu1 h LEU 352 N 0.03 0.16 -0.32 -2.39 3.38 -0.48 -2.38 115.31 113.31 3iu1 h LEU 352 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3iu1 h LEU 352 Cb 0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3iu1 h LEU 352 CO -0.00 0.12 0.14 0.25 0.09 0.00 0.00 178.44 179.03 3iu1 h LEU 353 N 0.20 0.42 -0.57 1.67 5.85 -0.91 -1.16 115.31 120.82 3iu1 h LEU 353 Ca 0.07 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3iu1 h LEU 353 Cb -0.00 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3iu1 h LEU 353 CO -0.03 0.45 0.37 0.74 -0.34 0.00 0.00 178.44 179.62 3iu1 h THR 354 N 0.37 1.15 -0.40 1.05 2.02 -1.12 -1.35 112.91 114.63 3iu1 h THR 354 Ca 0.11 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 3iu1 h THR 354 Cb 0.15 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3iu1 h THR 354 CO -0.01 0.15 -0.25 0.03 0.37 0.00 0.00 175.52 175.81 3iu1 h ARG 355 N 0.77 0.87 -0.55 6.66 3.08 -1.35 -3.23 114.38 120.63 3iu1 h ARG 355 Ca 0.21 -0.40 -0.06 0.00 0.07 0.00 0.00 59.98 59.79 3iu1 h ARG 355 Cb -0.07 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3iu1 h ARG 355 CO -0.04 1.05 0.09 -0.92 -1.07 0.00 0.00 179.97 179.08 3iu1 h TYR 356 N 0.68 0.91 0.00 3.04 3.20 -0.87 -3.07 116.97 120.86 3iu1 h TYR 356 Ca 0.08 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3iu1 h TYR 356 Cb 0.82 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.83 3iu1 h TYR 356 CO 0.06 0.78 0.00 1.28 -1.64 0.00 0.00 178.16 178.64 3iu1 n LEU 357 N -4.25 0.56 0.24 2.82 4.77 -0.54 -3.63 117.00 116.97 3iu1 n LEU 357 Ca 0.04 0.60 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 3iu1 n LEU 357 Cb 0.26 -0.48 0.80 0.00 -2.33 0.00 0.00 43.42 41.67 3iu1 n LEU 357 CO 0.41 -0.35 1.12 0.11 -1.33 0.00 0.00 177.39 177.35 3iu1 h LYS 358 N 0.00 0.00 0.00 3.23 1.57 -1.61 -2.39 116.57 117.37 3iu1 h LYS 358 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iu1 h LYS 358 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3iu1 h LYS 358 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3iu1 n GLN 359 N -4.07 0.11 -3.37 3.15 10.64 -1.24 -4.83 117.38 117.77 3iu1 n GLN 359 Ca -0.01 0.16 -0.19 0.00 -1.83 0.00 0.00 57.00 55.13 3iu1 n GLN 359 Cb 0.18 -1.65 -0.01 0.00 -0.86 0.00 0.00 30.24 27.90 3iu1 n GLN 359 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 3iu1 s PHE 360 N -3.07 2.93 -0.38 2.61 0.08 -0.90 -4.99 117.98 114.26 3iu1 s PHE 360 Ca 0.11 -0.33 0.19 0.00 0.12 0.00 0.00 56.93 57.02 3iu1 s PHE 360 Cb 0.14 -2.12 -0.26 0.00 -0.57 0.00 0.00 43.02 40.21 3iu1 s PHE 360 CO 0.50 -0.14 0.57 0.72 -0.10 0.00 0.00 175.22 176.77 3iu1 n HIS 361 N -1.66 0.00 -3.70 0.36 8.25 0.63 -4.80 115.22 114.29 3iu1 n HIS 361 Ca 0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 3iu1 n HIS 361 Cb 0.59 -0.26 -0.16 0.00 1.12 0.00 0.00 29.99 31.28 3iu1 n HIS 361 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3iu1 s LEU 362 N -3.73 1.12 0.05 2.41 2.96 -1.17 -0.43 118.68 119.89 3iu1 s LEU 362 Ca -0.01 -0.89 -0.04 0.00 -0.22 0.00 0.00 54.13 52.97 3iu1 s LEU 362 Cb 0.13 -0.55 -0.02 0.00 0.50 0.00 0.00 46.19 46.24 3iu1 s LEU 362 CO 0.78 -0.33 0.05 0.42 -1.32 0.00 0.00 176.35 175.95 3iu1 s THR 363 N 1.89 0.17 0.54 3.68 -4.23 -0.52 0.07 115.64 117.24 3iu1 s THR 363 Ca 0.01 -1.37 -0.14 0.00 -1.18 0.00 0.00 61.69 59.01 3iu1 s THR 363 Cb -0.17 -1.15 -0.06 0.00 1.34 0.00 0.00 72.50 72.45 3iu1 s THR 363 CO -0.11 -0.76 0.98 -2.16 -0.54 0.00 0.00 174.62 172.03 3iu1 s PRO 364 N -3.22 3.81 -0.32 3.99 0.04 -1.26 -0.40 135.00 137.64 3iu1 s PRO 364 Ca 0.00 0.84 0.03 0.00 0.04 0.00 0.00 61.00 61.91 3iu1 s PRO 364 Cb 0.03 -2.14 0.09 0.00 0.04 0.00 0.00 34.50 32.52 3iu1 s PRO 364 CO -0.07 -0.36 0.01 0.08 0.04 0.00 0.00 177.00 176.70 3iu1 s VAL 365 N -2.81 2.29 -0.17 -0.36 1.01 0.30 -4.75 120.40 115.92 3iu1 s VAL 365 Ca 0.57 -2.15 -0.08 0.00 0.00 0.00 0.00 61.98 60.32 3iu1 s VAL 365 Cb -0.10 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 3iu1 s VAL 365 CO 0.39 -0.45 0.10 -0.04 0.00 0.00 0.00 175.10 175.11 3iu1 s MET 366 N 0.96 3.87 1.01 2.72 -1.94 -1.26 -4.32 119.30 120.35 3iu1 s MET 366 Ca 0.06 -0.25 -0.12 0.00 -1.71 0.00 0.00 55.69 53.66 3iu1 s MET 366 Cb -0.19 -3.26 0.19 0.00 2.01 0.00 0.00 34.83 33.58 3iu1 s MET 366 CO -0.07 0.43 1.09 -1.54 -0.01 0.00 0.00 175.02 174.92 3iu1 s SER 367 N -0.04 2.52 0.31 3.03 1.04 -1.26 -4.81 113.70 114.48 3iu1 s SER 367 Ca 0.08 1.22 0.03 0.00 0.48 0.00 0.00 55.95 57.76 3iu1 s SER 367 Cb -0.12 -1.89 0.52 0.00 0.10 0.00 0.00 66.02 64.63 3iu1 s SER 367 CO 0.00 -3.20 1.83 -0.61 0.98 0.00 0.00 173.24 172.24 3iu1 h GLN 368 N -1.94 0.58 -0.76 4.02 4.15 -1.98 -0.35 115.11 118.83 3iu1 h GLN 368 Ca -0.55 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 58.69 3iu1 h GLN 368 Cb 1.33 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 3iu1 h GLN 368 CO 0.57 0.62 0.30 0.93 -1.93 0.00 0.00 178.83 179.32 3iu1 h GLU 369 N 0.55 1.14 -0.60 1.69 4.39 -1.99 -1.21 114.58 118.56 3iu1 h GLU 369 Ca 0.11 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 3iu1 h GLU 369 Cb 0.39 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 3iu1 h GLU 369 CO 0.02 0.93 0.01 0.93 -1.16 0.00 0.00 179.01 179.74 3iu1 h GLU 370 N 1.10 1.05 -0.52 2.33 5.08 -1.77 -1.89 114.58 119.96 3iu1 h GLU 370 Ca 0.25 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3iu1 h GLU 370 Cb 0.22 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3iu1 h GLU 370 CO -0.02 1.03 0.33 0.28 -1.00 0.00 0.00 179.01 179.63 3iu1 h VAL 371 N 0.94 1.15 -0.33 3.13 2.07 -0.83 0.08 116.25 122.46 3iu1 h VAL 371 Ca 0.17 -0.29 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3iu1 h VAL 371 Cb 0.55 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.67 3iu1 h VAL 371 CO 0.03 0.14 -0.00 -0.08 0.02 0.00 0.00 177.57 177.68 3iu1 h GLU 372 N 0.70 0.09 0.03 1.57 4.81 -1.09 -1.02 114.58 119.68 3iu1 h GLU 372 Ca 0.19 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3iu1 h GLU 372 Cb -0.05 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3iu1 h GLU 372 CO -0.04 0.06 -0.02 1.25 -0.73 0.00 0.00 179.01 179.53 3iu1 h HIS 373 N 0.09 -0.04 0.00 0.92 2.76 -0.80 -1.41 115.15 116.67 3iu1 h HIS 373 Ca 0.16 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 3iu1 h HIS 373 Cb 0.22 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 29.19 3iu1 h HIS 373 CO -0.24 0.01 -0.12 -1.49 -1.30 0.00 0.00 177.93 174.79 3iu1 h TRP 374 N -0.08 0.00 0.00 5.26 -0.00 -0.84 -3.38 115.95 116.90 3iu1 h TRP 374 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.89 58.85 3iu1 h TRP 374 Cb 0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 29.22 3iu1 h TRP 374 CO -0.06 0.12 -1.13 1.19 -0.00 0.00 0.00 178.44 178.55 3iu1 n PHE 375 N -3.16 0.00 -1.68 0.49 3.72 -0.40 -4.99 117.46 111.44 3iu1 n PHE 375 Ca 0.02 0.00 -0.45 0.00 -0.05 0.00 0.00 57.45 56.98 3iu1 n PHE 375 Cb 0.51 -0.09 -0.04 0.00 -0.94 0.00 0.00 39.48 38.92 3iu1 n PHE 375 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3iu1 n TYR 376 N -1.99 2.44 -1.73 1.38 9.36 -0.53 -4.30 117.16 121.79 3iu1 n TYR 376 Ca -0.03 0.01 -0.42 0.00 3.32 0.00 0.00 57.90 60.78 3iu1 n TYR 376 Cb 0.48 -2.66 -0.02 0.00 -0.63 0.00 0.00 39.34 36.51 3iu1 n TYR 376 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 3iu1 n PRO 377 N 5.26 2.65 -3.84 2.98 -0.02 -1.26 -4.90 135.00 135.87 3iu1 n PRO 377 Ca 0.19 0.94 -0.25 0.00 -2.02 0.00 0.00 63.50 62.36 3iu1 n PRO 377 Cb 0.33 -2.73 -0.17 0.00 -0.02 0.00 0.00 33.50 30.91 3iu1 n PRO 377 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3iu1 s GLN 378 N -0.21 1.11 0.21 -0.52 -0.21 -0.53 -5.00 119.66 114.51 3iu1 s GLN 378 Ca 0.66 -0.14 -0.32 0.00 0.02 0.00 0.00 55.36 55.58 3iu1 s GLN 378 Cb -0.51 -1.41 -0.14 0.00 1.00 0.00 0.00 33.01 31.94 3iu1 s GLN 378 CO 0.46 -0.32 1.38 -1.91 -2.12 0.00 0.00 175.29 172.79 3iu1 n GLU 379 N 5.02 1.85 -1.14 2.91 2.13 -1.26 -1.39 120.64 128.76 3iu1 n GLU 379 Ca -0.10 0.66 -0.05 0.00 0.66 0.00 0.00 57.16 58.33 3iu1 n GLU 379 Cb 0.50 -2.31 -0.02 0.00 0.27 0.00 0.00 31.44 29.88 3iu1 n GLU 379 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 3iu1 n ASN 380 N 2.32 -4.49 0.09 4.31 3.02 -1.26 -4.76 115.26 114.48 3iu1 n ASN 380 Ca 0.13 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 3iu1 n ASN 380 Cb 0.29 -2.42 0.00 0.00 -0.61 0.00 0.00 39.78 37.04 3iu1 n ASN 380 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3iu1 n ILE 381 N -2.56 0.44 -3.76 2.41 5.41 -0.49 -4.65 119.36 116.15 3iu1 n ILE 381 Ca -0.05 0.14 -0.14 0.00 1.00 0.00 0.00 62.75 63.71 3iu1 n ILE 381 Cb 0.31 -0.87 -0.15 0.00 -0.71 0.00 0.00 39.64 38.22 3iu1 n ILE 381 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3iu1 s ILE 382 N -1.81 -0.05 -0.07 1.39 1.10 -0.51 -0.69 121.20 120.56 3iu1 s ILE 382 Ca 0.00 0.17 0.05 0.00 -0.51 0.00 0.00 60.65 60.36 3iu1 s ILE 382 Cb 0.00 -0.19 -0.01 0.00 0.15 0.00 0.00 42.46 42.41 3iu1 s ILE 382 CO 0.00 0.07 -0.22 -1.81 -2.11 0.00 0.00 174.94 170.87 3iu1 s ASP 383 N 1.04 3.30 -0.04 4.50 1.01 -0.43 -1.46 116.67 124.59 3iu1 s ASP 383 Ca -0.08 -0.46 -0.00 0.00 0.71 0.00 0.00 52.55 52.71 3iu1 s ASP 383 Cb -0.11 -1.02 0.03 0.00 1.01 0.00 0.00 42.92 42.83 3iu1 s ASP 383 CO -0.05 0.23 0.01 -0.89 0.21 0.00 0.00 175.17 174.69 3iu1 s THR 384 N -0.09 0.19 -0.08 -1.27 2.01 -1.26 -1.45 115.64 113.69 3iu1 s THR 384 Ca -0.05 0.15 0.04 0.00 0.31 0.00 0.00 61.69 62.14 3iu1 s THR 384 Cb -0.14 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.03 3iu1 s THR 384 CO 0.04 0.18 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.58 3iu1 s PHE 385 N 1.44 2.56 0.15 4.92 0.08 -0.23 -0.71 117.98 126.18 3iu1 s PHE 385 Ca -0.04 -0.70 0.05 0.00 0.12 0.00 0.00 56.93 56.36 3iu1 s PHE 385 Cb -0.13 -1.67 -0.04 0.00 -0.57 0.00 0.00 43.02 40.62 3iu1 s PHE 385 CO -0.03 -0.20 0.11 0.14 -0.10 0.00 0.00 175.22 175.15 3iu1 s VAL 386 N -0.06 4.42 -0.38 -0.44 -7.23 0.78 -0.85 120.40 116.64 3iu1 s VAL 386 Ca -0.06 -1.06 -0.15 0.00 -1.81 0.00 0.00 61.98 58.90 3iu1 s VAL 386 Cb -0.14 -3.23 0.01 0.00 0.56 0.00 0.00 36.38 33.57 3iu1 s VAL 386 CO 0.05 -0.07 0.34 -0.69 -0.31 0.00 0.00 175.10 174.42 3iu1 s VAL 387 N -1.69 5.20 -0.34 1.32 1.01 -0.11 -1.21 120.40 124.57 3iu1 s VAL 387 Ca 0.30 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.86 3iu1 s VAL 387 Cb -0.10 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.39 3iu1 s VAL 387 CO 0.23 -0.23 0.19 -0.70 0.00 0.00 0.00 175.10 174.59 3iu1 s GLU 388 N 1.89 3.11 0.61 2.72 2.12 -0.32 -1.45 118.70 127.38 3iu1 s GLU 388 Ca 0.09 -0.88 -0.10 0.00 0.36 0.00 0.00 54.97 54.43 3iu1 s GLU 388 Cb -0.18 -3.67 0.14 0.00 0.26 0.00 0.00 34.13 30.68 3iu1 s GLU 388 CO 0.11 -0.56 0.69 0.27 -0.54 0.00 0.00 175.26 175.24 3iu1 n ASN 389 N 5.01 -0.63 0.20 -1.70 0.23 0.02 -4.30 115.26 114.09 3iu1 n ASN 389 Ca -0.13 -1.11 0.14 0.00 -0.53 0.00 0.00 54.58 52.96 3iu1 n ASN 389 Cb 0.48 -0.57 0.67 0.00 -2.08 0.00 0.00 39.78 38.28 3iu1 n ASN 389 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3iu1 h ALA 390 N -2.10 1.00 -0.01 -2.53 0.00 -1.94 -1.19 119.26 112.49 3iu1 h ALA 390 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3iu1 h ALA 390 Cb 0.68 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3iu1 h ALA 390 CO 0.16 0.00 -0.36 0.09 0.00 0.00 0.00 179.25 179.15 3iu1 n ASN 391 N -2.52 1.55 0.00 0.00 4.13 -1.26 -4.96 115.26 112.20 3iu1 n ASN 391 Ca -0.00 -1.22 0.00 0.00 1.68 0.00 0.00 54.58 55.04 3iu1 n ASN 391 Cb 0.16 0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.69 3iu1 n ASN 391 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iu1 n GLY 392 N 1.38 0.68 3.76 7.41 0.00 -0.45 -5.06 105.19 112.92 3iu1 n GLY 392 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 3iu1 n GLY 392 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iu1 s GLU 393 N -0.36 4.17 -0.25 1.61 2.02 -1.26 -4.77 118.70 119.86 3iu1 s GLU 393 Ca 0.00 0.36 -0.24 0.00 0.02 0.00 0.00 54.97 55.11 3iu1 s GLU 393 Cb 0.00 -3.36 -0.00 0.00 0.10 0.00 0.00 34.13 30.87 3iu1 s GLU 393 CO 0.00 0.36 0.82 0.08 0.02 0.00 0.00 175.26 176.54 3iu1 s VAL 394 N -0.00 4.84 -0.06 2.63 1.01 -1.26 -0.80 120.40 126.76 3iu1 s VAL 394 Ca 0.23 1.51 0.03 0.00 0.00 0.00 0.00 61.98 63.76 3iu1 s VAL 394 Cb -0.15 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 3iu1 s VAL 394 CO 0.10 -0.09 0.09 0.35 0.00 0.00 0.00 175.10 175.55 3iu1 n THR 395 N 5.29 0.00 -3.66 3.92 -2.24 -0.53 -5.01 114.28 112.05 3iu1 n THR 395 Ca 0.05 -0.21 -0.11 0.00 -2.27 0.00 0.00 64.05 61.52 3iu1 n THR 395 Cb 0.48 0.65 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 3iu1 n THR 395 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3iu1 s ASP 396 N -1.95 -0.22 0.03 3.42 1.11 -1.26 -2.98 116.67 114.83 3iu1 s ASP 396 Ca -0.00 -0.27 -0.15 0.00 0.18 0.00 0.00 52.55 52.30 3iu1 s ASP 396 Cb 0.02 0.45 0.02 0.00 1.07 0.00 0.00 42.92 44.49 3iu1 s ASP 396 CO 0.13 -0.80 0.34 0.72 1.18 0.00 0.00 175.17 176.73 3iu1 s PHE 397 N -3.51 -0.16 0.14 4.23 -0.12 -0.11 -0.93 117.98 117.51 3iu1 s PHE 397 Ca 0.01 0.10 0.10 0.00 -0.05 0.00 0.00 56.93 57.08 3iu1 s PHE 397 Cb 0.01 0.13 -0.04 0.00 -0.63 0.00 0.00 43.02 42.49 3iu1 s PHE 397 CO -0.10 -0.50 -0.23 -0.48 -0.05 0.00 0.00 175.22 173.86 3iu1 s LEU 398 N -1.92 2.36 -0.02 -1.99 0.05 -0.03 -0.77 118.68 116.37 3iu1 s LEU 398 Ca -0.07 -0.78 -0.15 0.00 0.05 0.00 0.00 54.13 53.19 3iu1 s LEU 398 Cb -0.02 -1.01 0.02 0.00 -2.05 0.00 0.00 46.19 43.13 3iu1 s LEU 398 CO -0.02 0.08 0.31 -0.94 -0.55 0.00 0.00 176.35 175.24 3iu1 s SER 399 N -2.26 -0.20 -0.10 1.48 1.04 -1.08 -1.07 113.70 111.51 3iu1 s SER 399 Ca 0.13 0.10 -0.17 0.00 0.48 0.00 0.00 55.95 56.50 3iu1 s SER 399 Cb -0.09 0.32 0.04 0.00 0.10 0.00 0.00 66.02 66.39 3iu1 s SER 399 CO 0.06 -0.44 0.41 0.72 0.98 0.00 0.00 173.24 174.97 3iu1 s PHE 400 N -1.30 -0.39 0.23 5.02 -0.12 -0.53 -1.44 117.98 119.45 3iu1 s PHE 400 Ca -0.13 0.83 0.06 0.00 -0.05 0.00 0.00 56.93 57.64 3iu1 s PHE 400 Cb -0.05 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.47 3iu1 s PHE 400 CO 0.04 -0.33 0.21 1.52 -0.05 0.00 0.00 175.22 176.62 3iu1 s TYR 401 N -0.48 3.19 -0.27 3.49 -0.85 -0.02 -1.31 117.35 121.09 3iu1 s TYR 401 Ca -0.06 -0.07 -0.11 0.00 -0.52 0.00 0.00 57.07 56.31 3iu1 s TYR 401 Cb -0.03 -1.46 -0.05 0.00 0.38 0.00 0.00 41.96 40.79 3iu1 s TYR 401 CO 0.03 0.51 0.20 0.99 -1.52 0.00 0.00 175.55 175.76 3iu1 s THR 402 N -2.01 5.31 -0.31 -3.49 2.01 0.13 -0.52 115.64 116.76 3iu1 s THR 402 Ca 0.33 0.20 -0.01 0.00 0.31 0.00 0.00 61.69 62.52 3iu1 s THR 402 Cb -0.09 -3.54 0.13 0.00 0.01 0.00 0.00 72.50 69.02 3iu1 s THR 402 CO 0.25 0.25 0.26 -0.22 -0.69 0.00 0.00 174.62 174.48 3iu1 s LEU 403 N 1.70 0.12 0.73 4.42 2.96 -0.59 -4.76 118.68 123.26 3iu1 s LEU 403 Ca 0.08 -1.18 -0.11 0.00 -0.22 0.00 0.00 54.13 52.69 3iu1 s LEU 403 Cb -0.16 0.20 0.03 0.00 0.50 0.00 0.00 46.19 46.76 3iu1 s LEU 403 CO 0.10 -0.37 1.08 -2.16 -1.32 0.00 0.00 176.35 173.68 3iu1 s PRO 404 N 2.00 2.62 0.04 0.98 0.04 -1.26 -3.66 135.00 135.76 3iu1 s PRO 404 Ca 0.11 0.65 0.08 0.00 0.04 0.00 0.00 61.00 61.88 3iu1 s PRO 404 Cb -0.16 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3iu1 s PRO 404 CO -0.25 -1.24 -0.22 -1.12 0.04 0.00 0.00 177.00 174.20 3iu1 s SER 405 N -4.06 2.68 0.15 6.66 0.01 -0.10 -0.49 113.70 118.54 3iu1 s SER 405 Ca 0.59 -0.53 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 3iu1 s SER 405 Cb -0.13 -0.24 -0.07 0.00 0.21 0.00 0.00 66.02 65.79 3iu1 s SER 405 CO 0.54 0.20 1.13 -0.89 0.41 0.00 0.00 173.24 174.62 3iu1 s THR 406 N -0.77 3.91 -0.51 1.44 2.01 0.14 -0.40 115.64 121.46 3iu1 s THR 406 Ca 0.09 1.56 -0.21 0.00 0.31 0.00 0.00 61.69 63.44 3iu1 s THR 406 Cb -0.09 -4.00 0.05 0.00 0.01 0.00 0.00 72.50 68.47 3iu1 s THR 406 CO 0.02 0.23 0.73 -0.63 -0.69 0.00 0.00 174.62 174.27 3iu1 s ILE 407 N 0.11 4.71 0.12 1.82 1.01 -0.33 -1.63 121.20 127.02 3iu1 s ILE 407 Ca 0.52 -0.18 -0.31 0.00 0.00 0.00 0.00 60.65 60.67 3iu1 s ILE 407 Cb -0.29 -4.37 -0.08 0.00 0.01 0.00 0.00 42.46 37.73 3iu1 s ILE 407 CO 0.34 -0.88 1.46 -0.04 0.00 0.00 0.00 174.94 175.81 3iu1 s MET 408 N 3.07 4.28 -2.03 2.79 -1.94 0.08 -3.20 119.30 122.34 3iu1 s MET 408 Ca 0.21 2.17 0.00 0.00 -1.71 0.00 0.00 55.69 56.36 3iu1 s MET 408 Cb -0.17 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.43 3iu1 s MET 408 CO 0.15 -0.51 0.00 0.09 -0.01 0.00 0.00 175.02 174.74 3iu1 n ASN 409 N 4.09 -5.47 -4.72 3.03 4.13 -1.26 -4.96 115.26 110.09 3iu1 n ASN 409 Ca 0.12 0.39 -0.38 0.00 1.68 0.00 0.00 54.58 56.39 3iu1 n ASN 409 Cb 0.41 -4.68 -0.06 0.00 -1.54 0.00 0.00 39.78 33.91 3iu1 n ASN 409 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 3iu1 s HIS 410 N -2.79 3.52 0.28 3.10 2.46 -1.19 -4.99 115.29 115.68 3iu1 s HIS 410 Ca 0.00 0.93 0.05 0.00 0.47 0.00 0.00 55.06 56.52 3iu1 s HIS 410 Cb 0.00 -2.58 0.42 0.00 -0.13 0.00 0.00 32.58 30.29 3iu1 s HIS 410 CO 0.00 0.17 1.68 -1.35 -2.47 0.00 0.00 174.74 172.77 3iu1 h PRO 411 N 6.69 0.28 0.00 2.88 0.11 -1.93 -3.41 132.00 136.62 3iu1 h PRO 411 Ca -0.41 -0.14 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3iu1 h PRO 411 Cb 1.18 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3iu1 h PRO 411 CO 0.75 0.65 -0.54 0.25 -0.21 0.00 0.00 178.00 178.91 3iu1 n THR 412 N -4.02 1.37 -3.08 -1.15 -2.24 -1.26 -4.94 114.28 98.95 3iu1 n THR 412 Ca -0.01 0.26 -0.42 0.00 -2.27 0.00 0.00 64.05 61.61 3iu1 n THR 412 Cb 0.48 -1.99 -0.06 0.00 -2.10 0.00 0.00 70.33 66.66 3iu1 n THR 412 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3iu1 s HIS 413 N -2.48 3.15 -0.12 4.78 3.76 -1.26 -4.93 115.29 118.19 3iu1 s HIS 413 Ca -0.16 0.40 0.20 0.00 -0.15 0.00 0.00 55.06 55.35 3iu1 s HIS 413 Cb 0.02 -3.19 -0.24 0.00 1.11 0.00 0.00 32.58 30.29 3iu1 s HIS 413 CO 0.23 -0.64 0.50 1.63 -0.85 0.00 0.00 174.74 175.61 3iu1 n LYS 414 N 6.11 0.65 -3.93 1.40 4.76 -1.26 -4.66 118.16 121.23 3iu1 n LYS 414 Ca -0.00 -0.02 -0.10 0.00 -2.87 0.00 0.00 58.31 55.31 3iu1 n LYS 414 Cb 0.48 -1.61 -0.12 0.00 -1.84 0.00 0.00 35.03 31.94 3iu1 n LYS 414 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3iu1 s SER 415 N -5.15 0.13 -0.19 4.39 0.15 -1.26 -1.18 113.70 110.59 3iu1 s SER 415 Ca -0.07 -0.27 -0.02 0.00 0.70 0.00 0.00 55.95 56.29 3iu1 s SER 415 Cb 0.10 0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.49 3iu1 s SER 415 CO 0.85 -0.19 -0.10 -0.22 1.20 0.00 0.00 173.24 174.79 3iu1 s LEU 416 N -0.87 2.66 -0.38 3.45 2.96 0.47 -4.87 118.68 122.09 3iu1 s LEU 416 Ca -0.10 -0.44 -0.20 0.00 -0.22 0.00 0.00 54.13 53.17 3iu1 s LEU 416 Cb -0.06 -1.65 0.01 0.00 0.50 0.00 0.00 46.19 44.99 3iu1 s LEU 416 CO -0.00 0.03 0.60 -0.75 -1.32 0.00 0.00 176.35 174.90 3iu1 s LYS 417 N 1.19 3.53 -0.04 1.98 2.20 -1.26 -0.92 119.74 126.41 3iu1 s LYS 417 Ca 0.02 -0.14 0.06 0.00 -0.36 0.00 0.00 55.97 55.55 3iu1 s LYS 417 Cb -0.14 -3.85 -0.02 0.00 -1.51 0.00 0.00 37.83 32.31 3iu1 s LYS 417 CO -0.04 -0.80 -0.23 0.00 -0.36 0.00 0.00 175.35 173.92 3iu1 s ALA 418 N 2.65 2.26 -0.05 3.13 0.00 -1.24 -0.05 121.76 128.47 3iu1 s ALA 418 Ca 0.22 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 51.10 3iu1 s ALA 418 Cb -0.15 -0.69 -0.04 0.00 0.00 0.00 0.00 23.12 22.24 3iu1 s ALA 418 CO 0.16 0.48 0.09 0.00 0.00 0.00 0.00 175.76 176.49 3iu1 s ALA 419 N -0.42 3.64 -0.13 0.00 0.00 -0.65 -1.54 121.76 122.65 3iu1 s ALA 419 Ca 0.04 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.24 3iu1 s ALA 419 Cb -0.12 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.32 3iu1 s ALA 419 CO 0.01 0.66 -0.20 0.71 0.00 0.00 0.00 175.76 176.94 3iu1 s TYR 420 N -1.10 2.47 0.20 0.00 2.02 0.33 0.07 117.35 121.34 3iu1 s TYR 420 Ca 0.19 -1.23 -0.32 0.00 -0.37 0.00 0.00 57.07 55.34 3iu1 s TYR 420 Cb -0.12 -1.70 -0.13 0.00 -0.40 0.00 0.00 41.96 39.60 3iu1 s TYR 420 CO 0.09 -0.58 1.52 0.45 -1.57 0.00 0.00 175.55 175.47 3iu1 n SER 421 N 4.12 3.08 0.00 2.29 2.88 0.47 -0.84 113.62 125.61 3iu1 n SER 421 Ca -0.20 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 3iu1 n SER 421 Cb 0.51 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 3iu1 n SER 421 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3iu1 n PHE 422 N 2.78 0.00 -5.16 0.66 7.35 -0.52 -4.84 117.46 117.73 3iu1 n PHE 422 Ca 0.14 0.00 -0.32 0.00 -0.76 0.00 0.00 57.45 56.51 3iu1 n PHE 422 Cb 0.31 0.00 -0.17 0.00 0.35 0.00 0.00 39.48 39.97 3iu1 n PHE 422 CO 0.00 0.00 0.00 0.71 -0.76 0.00 0.00 176.76 176.71 3iu1 s TYR 423 N 1.15 2.59 -0.17 -5.13 2.02 -1.26 -4.86 117.35 111.69 3iu1 s TYR 423 Ca 0.00 -0.97 0.01 0.00 -0.37 0.00 0.00 57.07 55.73 3iu1 s TYR 423 Cb 0.00 -1.72 0.03 0.00 -0.40 0.00 0.00 41.96 39.87 3iu1 s TYR 423 CO 0.00 -0.38 -0.12 -0.80 -1.57 0.00 0.00 175.55 172.68 3iu1 s ASN 424 N 0.31 3.00 -0.16 2.29 0.01 -1.26 -2.65 114.94 116.48 3iu1 s ASN 424 Ca -0.17 -0.67 -0.00 0.00 -0.71 0.00 0.00 52.86 51.31 3iu1 s ASN 424 Cb -0.17 -1.19 0.00 0.00 0.41 0.00 0.00 41.25 40.30 3iu1 s ASN 424 CO 0.08 -0.10 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.73 3iu1 s VAL 425 N 1.45 2.67 -0.06 1.60 1.01 0.05 -5.00 120.40 122.13 3iu1 s VAL 425 Ca 0.02 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.30 3iu1 s VAL 425 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.09 3iu1 s VAL 425 CO -0.09 0.51 -0.23 -1.38 0.00 0.00 0.00 175.10 173.90 3iu1 s HIS 426 N 0.94 2.30 0.00 5.22 -3.43 -1.26 -0.94 115.29 118.12 3iu1 s HIS 426 Ca -0.03 -0.69 0.00 0.00 -0.80 0.00 0.00 55.06 53.54 3iu1 s HIS 426 Cb -0.15 -1.51 0.00 0.00 -1.43 0.00 0.00 32.58 29.49 3iu1 s HIS 426 CO -0.02 -0.21 0.00 0.25 -2.00 0.00 0.00 174.74 172.76 3iu1 n THR 427 N 3.01 0.00 0.00 -5.38 -2.24 -1.16 -4.94 114.28 103.57 3iu1 n THR 427 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3iu1 n THR 427 Cb 0.52 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 3iu1 n THR 427 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iu1 n GLN 428 N -1.04 2.11 -3.51 -0.78 1.13 -1.26 -5.04 117.38 108.99 3iu1 n GLN 428 Ca 0.00 0.00 -0.37 0.00 -1.94 0.00 0.00 57.00 54.69 3iu1 n GLN 428 Cb 0.13 -0.68 -0.07 0.00 0.11 0.00 0.00 30.24 29.74 3iu1 n GLN 428 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3iu1 s THR 429 N -1.17 5.26 0.33 5.09 2.01 -1.26 -5.06 115.64 120.84 3iu1 s THR 429 Ca 0.00 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.34 3iu1 s THR 429 Cb 0.00 -3.66 -0.12 0.00 0.01 0.00 0.00 72.50 68.73 3iu1 s THR 429 CO 0.00 0.41 1.50 -2.65 -0.69 0.00 0.00 174.62 173.19 3iu1 n PRO 430 N 3.30 2.56 -0.33 4.92 -0.02 -1.26 -4.76 135.00 139.41 3iu1 n PRO 430 Ca -0.12 0.90 0.08 0.00 -2.02 0.00 0.00 63.50 62.35 3iu1 n PRO 430 Cb 0.52 -2.63 0.25 0.00 -0.02 0.00 0.00 33.50 31.62 3iu1 n PRO 430 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iu1 h LEU 431 N 3.68 0.76 -0.67 2.45 5.85 -1.97 -0.90 115.31 124.51 3iu1 h LEU 431 Ca -0.48 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.41 3iu1 h LEU 431 Cb 1.24 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 3iu1 h LEU 431 CO 0.70 0.35 0.30 0.25 -0.34 0.00 0.00 178.44 179.71 3iu1 h LEU 432 N 0.81 0.36 -0.34 2.25 5.85 -1.94 0.26 115.31 122.57 3iu1 h LEU 432 Ca 0.50 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 59.24 3iu1 h LEU 432 Cb 0.63 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3iu1 h LEU 432 CO -0.32 0.20 -0.00 0.44 -0.34 0.00 0.00 178.44 178.42 3iu1 h ASP 433 N 0.51 0.58 -0.36 1.25 3.45 -1.56 -1.33 116.42 118.97 3iu1 h ASP 433 Ca 0.34 -0.31 0.04 0.00 0.43 0.00 0.00 57.03 57.53 3iu1 h ASP 433 Cb 0.39 -0.16 -0.04 0.00 -0.56 0.00 0.00 39.33 38.96 3iu1 h ASP 433 CO -0.29 0.75 0.11 -0.07 -1.57 0.00 0.00 179.24 178.16 3iu1 h LEU 434 N 0.40 0.10 -0.70 1.55 3.38 -0.72 -1.45 115.31 117.88 3iu1 h LEU 434 Ca 0.10 0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 3iu1 h LEU 434 Cb 0.45 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3iu1 h LEU 434 CO 0.02 0.09 -0.53 0.24 0.09 0.00 0.00 178.44 178.34 3iu1 h MET 435 N 0.25 0.32 -0.51 1.13 2.86 -0.92 -0.36 114.93 117.69 3iu1 h MET 435 Ca 0.16 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3iu1 h MET 435 Cb 0.16 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 3iu1 h MET 435 CO -0.18 0.78 0.31 0.77 1.06 0.00 0.00 176.91 179.65 3iu1 h SER 436 N 0.25 0.52 -0.06 1.22 0.02 -0.98 -1.34 113.55 113.17 3iu1 h SER 436 Ca 0.01 -0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3iu1 h SER 436 Cb 1.02 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 3iu1 h SER 436 CO 0.09 0.37 -0.24 0.44 -1.14 0.00 0.00 176.83 176.35 3iu1 h ASP 437 N 0.63 0.48 -0.69 3.07 3.32 -0.89 -2.07 116.42 120.27 3iu1 h ASP 437 Ca 0.20 -0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.11 3iu1 h ASP 437 Cb -0.00 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 39.38 3iu1 h ASP 437 CO -0.08 0.72 0.44 0.00 -1.72 0.00 0.00 179.24 178.60 3iu1 h ALA 438 N 1.32 0.88 -0.42 3.45 0.00 -0.61 0.04 119.26 123.93 3iu1 h ALA 438 Ca 0.06 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3iu1 h ALA 438 Cb 0.65 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3iu1 h ALA 438 CO 0.05 0.25 0.20 -0.07 0.00 0.00 0.00 179.25 179.67 3iu1 h LEU 439 N 0.89 0.55 -0.22 0.00 3.38 -0.95 -0.68 115.31 118.29 3iu1 h LEU 439 Ca 0.26 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.11 3iu1 h LEU 439 Cb -0.05 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3iu1 h LEU 439 CO -0.08 0.53 0.11 0.58 0.09 0.00 0.00 178.44 179.67 3iu1 h VAL 440 N 0.53 1.01 -0.70 1.22 2.07 -1.12 -0.68 116.25 118.58 3iu1 h VAL 440 Ca 0.14 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3iu1 h VAL 440 Cb 0.13 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3iu1 h VAL 440 CO -0.02 0.04 0.46 -0.07 0.02 0.00 0.00 177.57 178.00 3iu1 h LEU 441 N 0.24 0.82 -0.45 2.57 3.38 -0.84 -0.88 115.31 120.15 3iu1 h LEU 441 Ca 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3iu1 h LEU 441 Cb 0.01 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3iu1 h LEU 441 CO -0.05 0.60 0.21 0.00 0.09 0.00 0.00 178.44 179.29 3iu1 h ALA 442 N 1.25 0.58 -0.32 1.53 0.00 -0.87 -1.70 119.26 119.73 3iu1 h ALA 442 Ca 0.26 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3iu1 h ALA 442 Cb -0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3iu1 h ALA 442 CO -0.05 0.15 0.09 -0.22 0.00 0.00 0.00 179.25 179.21 3iu1 h LYS 443 N 0.58 0.21 -0.69 0.00 1.63 -0.81 -1.95 116.57 115.54 3iu1 h LYS 443 Ca 0.15 -0.01 0.07 0.00 -0.85 0.00 0.00 60.65 60.01 3iu1 h LYS 443 Cb 0.13 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 3iu1 h LYS 443 CO -0.02 0.14 0.46 0.52 -3.45 0.00 0.00 179.45 177.09 3iu1 h MET 444 N 0.21 0.66 -0.02 1.90 2.86 -0.95 -1.70 114.93 117.89 3iu1 h MET 444 Ca 0.15 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3iu1 h MET 444 Cb 0.14 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.65 3iu1 h MET 444 CO -0.17 0.44 0.00 1.63 1.06 0.00 0.00 176.91 179.87 3iu1 n LYS 445 N -4.48 1.26 -0.48 1.72 5.02 -0.66 -4.91 118.16 115.63 3iu1 n LYS 445 Ca 0.10 -0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 3iu1 n LYS 445 Cb 0.25 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3iu1 n LYS 445 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iu1 n GLY 446 N 1.03 0.74 3.77 0.72 0.00 -0.64 -5.06 105.19 105.75 3iu1 n GLY 446 Ca 0.20 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 3iu1 n GLY 446 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3iu1 s PHE 447 N -2.00 2.92 -0.09 1.61 0.08 -0.80 -4.88 117.98 114.83 3iu1 s PHE 447 Ca 0.00 1.53 0.15 0.00 0.12 0.00 0.00 56.93 58.72 3iu1 s PHE 447 Cb 0.00 -3.42 -0.15 0.00 -0.57 0.00 0.00 43.02 38.88 3iu1 s PHE 447 CO 0.00 -1.53 0.87 -0.44 -0.10 0.00 0.00 175.22 174.02 3iu1 h ASP 448 N 2.28 0.00 -4.65 1.36 3.45 -0.80 -3.40 116.42 114.66 3iu1 h ASP 448 Ca -0.49 0.00 -0.10 0.00 0.43 0.00 0.00 57.03 56.87 3iu1 h ASP 448 Cb 1.24 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.81 3iu1 h ASP 448 CO 0.61 0.72 -0.15 0.54 -1.57 0.00 0.00 179.24 179.39 3iu1 s VAL 449 N -2.82 0.03 -0.20 -1.35 0.11 -1.13 -1.29 120.40 113.75 3iu1 s VAL 449 Ca -0.02 -0.23 -0.01 0.00 -2.93 0.00 0.00 61.98 58.78 3iu1 s VAL 449 Cb 0.08 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 3iu1 s VAL 449 CO 0.81 -0.13 -0.12 0.12 -3.33 0.00 0.00 175.10 172.45 3iu1 s PHE 450 N -0.81 2.87 -0.06 1.54 5.36 -0.37 -1.64 117.98 124.87 3iu1 s PHE 450 Ca -0.09 -1.32 -0.02 0.00 -0.96 0.00 0.00 56.93 54.54 3iu1 s PHE 450 Cb -0.04 -2.01 -0.04 0.00 -0.34 0.00 0.00 43.02 40.60 3iu1 s PHE 450 CO 0.04 -0.69 0.07 -0.80 -1.46 0.00 0.00 175.22 172.38 3iu1 s ASN 451 N 1.38 5.69 -0.07 6.13 0.01 0.11 -0.23 114.94 127.96 3iu1 s ASN 451 Ca 0.05 0.22 -0.12 0.00 -0.71 0.00 0.00 52.86 52.30 3iu1 s ASN 451 Cb -0.14 -1.68 0.03 0.00 0.41 0.00 0.00 41.25 39.87 3iu1 s ASN 451 CO -0.08 0.34 0.31 0.00 -1.51 0.00 0.00 177.10 176.16 3iu1 s ALA 452 N -1.05 -0.77 0.68 0.60 0.00 -0.51 -0.40 121.76 120.32 3iu1 s ALA 452 Ca 0.18 0.61 -0.09 0.00 0.00 0.00 0.00 51.96 52.67 3iu1 s ALA 452 Cb -0.12 -0.25 0.03 0.00 0.00 0.00 0.00 23.12 22.79 3iu1 s ALA 452 CO 0.08 -0.20 1.02 -0.51 0.00 0.00 0.00 175.76 176.15 3iu1 s LEU 453 N -0.52 2.93 -0.12 0.00 1.43 -1.26 -0.20 118.68 120.94 3iu1 s LEU 453 Ca -0.06 0.78 0.07 0.00 -1.03 0.00 0.00 54.13 53.88 3iu1 s LEU 453 Cb -0.04 -3.50 0.41 0.00 0.03 0.00 0.00 46.19 43.09 3iu1 s LEU 453 CO 0.02 -1.40 1.14 -0.90 0.23 0.00 0.00 176.35 175.44 3iu1 n ASP 454 N -2.89 3.37 -4.24 2.29 5.75 -0.77 -4.75 116.55 115.30 3iu1 n ASP 454 Ca 0.07 -2.48 -0.27 0.00 -0.01 0.00 0.00 54.79 52.09 3iu1 n ASP 454 Cb 0.59 -0.60 0.17 0.00 -1.03 0.00 0.00 41.12 40.25 3iu1 n ASP 454 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 3iu1 s LEU 455 N -1.39 2.83 0.00 -2.12 0.05 -1.26 -4.24 118.68 112.55 3iu1 s LEU 455 Ca 0.27 -0.11 0.00 0.00 0.05 0.00 0.00 54.13 54.34 3iu1 s LEU 455 Cb 0.21 -1.95 0.00 0.00 -2.05 0.00 0.00 46.19 42.40 3iu1 s LEU 455 CO 0.08 -2.53 0.00 0.23 -0.55 0.00 0.00 176.35 173.58 3iu1 n MET 456 N -3.46 0.00 -0.85 1.48 2.81 -0.52 -1.08 117.12 115.50 3iu1 n MET 456 Ca 0.17 0.00 0.04 0.00 -1.81 0.00 0.00 57.70 56.09 3iu1 n MET 456 Cb 0.60 0.00 0.35 0.00 -0.71 0.00 0.00 33.22 33.46 3iu1 n MET 456 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3iu1 n GLU 457 N 14.00 4.33 0.11 0.03 1.02 -1.26 -4.37 120.64 134.50 3iu1 n GLU 457 Ca 0.00 -2.85 0.03 0.00 -0.02 0.00 0.00 57.16 54.32 3iu1 n GLU 457 Cb 0.00 -2.19 0.43 0.00 -0.02 0.00 0.00 31.44 29.66 3iu1 n GLU 457 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3iu1 h ASN 458 N 3.38 0.26 0.07 1.62 4.21 -1.35 -2.16 115.58 121.60 3iu1 h ASN 458 Ca 0.05 -0.04 -0.00 0.00 1.21 0.00 0.00 56.30 57.53 3iu1 h ASN 458 Cb 1.93 -0.07 -0.00 0.00 -1.12 0.00 0.00 38.32 39.06 3iu1 h ASN 458 CO 0.50 0.33 -0.01 0.11 -1.29 0.00 0.00 177.43 177.08 3iu1 h LYS 459 N 0.28 0.00 0.00 0.81 1.57 -1.78 -1.34 116.57 116.10 3iu1 h LYS 459 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3iu1 h LYS 459 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3iu1 h LYS 459 CO 0.01 0.01 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 3iu1 h THR 460 N 0.00 0.00 0.00 -0.16 1.35 -1.76 -3.32 112.91 109.02 3iu1 h THR 460 Ca -0.00 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.48 3iu1 h THR 460 Cb 0.04 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3iu1 h THR 460 CO 0.00 0.00 -0.41 2.22 -0.25 0.00 0.00 175.52 177.08 3iu1 n PHE 461 N -3.02 0.00 0.19 4.73 1.16 -0.56 -4.76 117.46 115.19 3iu1 n PHE 461 Ca -0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.43 3iu1 n PHE 461 Cb 0.25 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.05 3iu1 n PHE 461 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3iu1 h LEU 462 N 0.00 -0.73 -0.32 5.98 3.38 -1.50 -0.19 115.31 121.92 3iu1 h LEU 462 Ca 0.00 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3iu1 h LEU 462 Cb 0.00 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3iu1 h LEU 462 CO 0.00 -0.40 -0.03 -0.33 0.09 0.00 0.00 178.44 177.77 3iu1 h GLU 463 N -0.59 0.58 -0.90 1.13 4.39 -1.81 -0.35 114.58 117.02 3iu1 h GLU 463 Ca -0.01 -0.20 0.12 0.00 0.34 0.00 0.00 59.36 59.61 3iu1 h GLU 463 Cb 0.54 -0.05 -0.08 0.00 -0.10 0.00 0.00 28.75 29.06 3iu1 h GLU 463 CO -0.05 0.73 0.53 0.87 -1.16 0.00 0.00 179.01 179.94 3iu1 h LYS 464 N 0.37 0.80 -0.64 2.33 6.56 -1.81 -2.08 116.57 122.09 3iu1 h LYS 464 Ca 0.09 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 3iu1 h LYS 464 Cb 0.49 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.97 3iu1 h LYS 464 CO 0.02 0.53 0.00 1.28 -2.06 0.00 0.00 179.45 179.22 3iu1 n LEU 465 N -4.73 3.90 -1.30 2.94 4.77 -0.10 -4.92 117.00 117.56 3iu1 n LEU 465 Ca 0.17 -1.97 -0.12 0.00 -0.03 0.00 0.00 56.01 54.06 3iu1 n LEU 465 Cb 0.36 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 3iu1 n LEU 465 CO 0.25 0.59 -0.15 0.29 -1.33 0.00 0.00 177.39 177.05 3iu1 n LYS 466 N 0.67 -0.92 -2.36 3.23 5.02 -0.78 -5.00 118.16 118.01 3iu1 n LYS 466 Ca 0.19 0.57 -0.37 0.00 -2.02 0.00 0.00 58.31 56.68 3iu1 n LYS 466 Cb 0.77 -4.70 -0.02 0.00 -0.02 0.00 0.00 35.03 31.05 3iu1 n LYS 466 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3iu1 s PHE 467 N -2.57 3.05 -0.06 2.13 0.08 -0.15 -4.62 117.98 115.84 3iu1 s PHE 467 Ca 0.00 1.58 0.02 0.00 0.12 0.00 0.00 56.93 58.65 3iu1 s PHE 467 Cb 0.00 -3.29 -0.03 0.00 -0.57 0.00 0.00 43.02 39.13 3iu1 s PHE 467 CO 0.00 -1.16 -0.12 0.20 -0.10 0.00 0.00 175.22 174.05 3iu1 s GLY 468 N -1.38 1.59 0.33 4.36 0.00 0.11 -4.61 107.32 107.71 3iu1 s GLY 468 Ca 0.60 -0.94 -0.29 0.00 0.00 0.00 0.00 44.72 44.09 3iu1 s GLY 468 CO 0.33 -0.70 1.36 -1.50 0.00 0.00 0.00 173.10 172.59 3iu1 s ILE 469 N -0.69 2.59 0.73 0.90 2.07 -1.26 -0.52 121.20 125.01 3iu1 s ILE 469 Ca 0.10 0.58 0.01 0.00 -1.41 0.00 0.00 60.65 59.93 3iu1 s ILE 469 Cb -0.11 -3.37 0.14 0.00 0.13 0.00 0.00 42.46 39.25 3iu1 s ILE 469 CO 0.01 0.13 1.00 -0.83 -1.91 0.00 0.00 174.94 173.34 3iu1 s GLY 470 N -0.29 1.74 0.15 1.50 0.00 -0.07 -4.84 107.32 105.52 3iu1 s GLY 470 Ca 0.51 -1.90 -0.20 0.00 0.00 0.00 0.00 44.72 43.14 3iu1 s GLY 470 CO 0.53 -1.29 0.66 0.99 0.00 0.00 0.00 173.10 173.98 3iu1 s ASP 471 N -4.79 7.08 0.00 1.64 1.11 -1.26 -4.88 116.67 115.57 3iu1 s ASP 471 Ca 0.67 1.35 0.00 0.00 0.18 0.00 0.00 52.55 54.76 3iu1 s ASP 471 Cb -0.04 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.55 3iu1 s ASP 471 CO 0.44 0.15 0.00 0.61 1.18 0.00 0.00 175.17 177.56 3iu1 n GLY 472 N 1.20 -2.47 3.92 0.21 0.00 -1.26 -4.87 105.19 101.92 3iu1 n GLY 472 Ca -0.06 -1.41 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 3iu1 n GLY 472 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3iu1 s ASN 473 N -3.48 5.94 -0.30 1.61 0.01 -1.26 -4.34 114.94 113.12 3iu1 s ASN 473 Ca 0.00 -0.12 0.00 0.00 -0.71 0.00 0.00 52.86 52.04 3iu1 s ASN 473 Cb 0.00 -1.54 0.06 0.00 0.41 0.00 0.00 41.25 40.18 3iu1 s ASN 473 CO 0.00 -0.15 -0.01 -0.22 -1.51 0.00 0.00 177.10 175.21 3iu1 s LEU 474 N -3.98 3.96 0.04 0.60 2.96 0.72 -4.28 118.68 118.70 3iu1 s LEU 474 Ca 0.36 -1.48 -0.21 0.00 -0.22 0.00 0.00 54.13 52.58 3iu1 s LEU 474 Cb -0.08 -1.66 -0.06 0.00 0.50 0.00 0.00 46.19 44.89 3iu1 s LEU 474 CO 0.28 -0.27 0.64 -1.10 -1.32 0.00 0.00 176.35 174.57 3iu1 s GLN 475 N 1.15 4.35 -0.16 1.98 -1.52 -0.06 -0.68 119.66 124.73 3iu1 s GLN 475 Ca -0.04 0.84 -0.07 0.00 -1.95 0.00 0.00 55.36 54.14 3iu1 s GLN 475 Cb -0.20 -3.31 -0.04 0.00 -0.22 0.00 0.00 33.01 29.24 3iu1 s GLN 475 CO -0.03 0.45 0.09 0.71 -0.25 0.00 0.00 175.29 176.26 3iu1 s TYR 476 N -0.52 3.38 0.08 0.91 2.02 0.32 -1.72 117.35 121.82 3iu1 s TYR 476 Ca 0.32 0.29 0.06 0.00 -0.37 0.00 0.00 57.07 57.36 3iu1 s TYR 476 Cb -0.19 -2.02 -0.03 0.00 -0.40 0.00 0.00 41.96 39.32 3iu1 s TYR 476 CO 0.20 0.40 -0.15 0.71 -1.57 0.00 0.00 175.55 175.14 3iu1 s TYR 477 N -0.22 1.30 0.01 2.71 2.02 0.44 -0.39 117.35 123.21 3iu1 s TYR 477 Ca 0.09 -0.46 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 3iu1 s TYR 477 Cb -0.12 -0.72 -0.03 0.00 -0.40 0.00 0.00 41.96 40.69 3iu1 s TYR 477 CO 0.01 0.08 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.37 3iu1 s LEU 478 N -1.78 2.55 -0.21 -1.29 1.43 -1.26 -1.89 118.68 116.22 3iu1 s LEU 478 Ca -0.01 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 3iu1 s LEU 478 Cb -0.10 -1.50 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 3iu1 s LEU 478 CO 0.03 0.28 0.14 -0.47 0.23 0.00 0.00 176.35 176.56 3iu1 s TYR 479 N -0.84 3.37 -1.37 0.29 5.04 0.55 -4.50 117.35 119.90 3iu1 s TYR 479 Ca 0.13 0.29 -0.09 0.00 -2.44 0.00 0.00 57.07 54.96 3iu1 s TYR 479 Cb -0.10 -2.19 0.01 0.00 0.35 0.00 0.00 41.96 40.02 3iu1 s TYR 479 CO 0.03 0.21 1.15 -1.71 -1.34 0.00 0.00 175.55 173.90 3iu1 n ASN 480 N 3.76 -6.39 -3.62 4.32 5.15 -0.27 -2.84 115.26 115.38 3iu1 n ASN 480 Ca -0.16 -0.53 -0.14 0.00 -0.60 0.00 0.00 54.58 53.16 3iu1 n ASN 480 Cb 0.52 -5.03 -0.13 0.00 -0.53 0.00 0.00 39.78 34.61 3iu1 n ASN 480 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 3iu1 s TRP 481 N -3.31 -0.44 -0.10 1.20 -0.11 -1.26 -3.51 118.94 111.41 3iu1 s TRP 481 Ca 0.57 0.88 -0.18 0.00 1.22 0.00 0.00 56.10 58.60 3iu1 s TRP 481 Cb -0.25 -0.07 -0.04 0.00 -1.50 0.00 0.00 33.47 31.61 3iu1 s TRP 481 CO 0.71 -0.41 0.46 0.15 -4.62 0.00 0.00 176.95 173.24 3iu1 s LYS 482 N 2.42 4.28 0.13 5.86 1.02 0.25 -4.83 119.74 128.87 3iu1 s LYS 482 Ca 0.03 0.44 -0.24 0.00 0.02 0.00 0.00 55.97 56.21 3iu1 s LYS 482 Cb -0.13 -3.40 0.07 0.00 -0.52 0.00 0.00 37.83 33.85 3iu1 s LYS 482 CO -0.10 0.25 0.71 0.00 -0.92 0.00 0.00 175.35 175.29 3iu1 s PRO 484 N -3.58 3.51 0.81 0.00 0.02 -1.25 -4.74 135.00 129.77 3iu1 s PRO 484 Ca 0.04 2.08 -0.11 0.00 0.02 0.00 0.00 61.00 63.03 3iu1 s PRO 484 Cb -0.02 -2.41 0.08 0.00 0.02 0.00 0.00 34.50 32.18 3iu1 s PRO 484 CO -0.09 -0.85 1.10 -1.54 -0.33 0.00 0.00 177.00 175.29 3iu1 s SER 485 N -1.03 4.11 0.15 2.53 1.04 -1.26 -5.00 113.70 114.23 3iu1 s SER 485 Ca 0.66 1.85 0.06 0.00 0.48 0.00 0.00 55.95 59.00 3iu1 s SER 485 Cb -0.36 -2.49 -0.04 0.00 0.10 0.00 0.00 66.02 63.22 3iu1 s SER 485 CO 0.44 -2.29 -0.12 0.00 0.98 0.00 0.00 173.24 172.24 3iu1 s MET 486 N -4.86 1.10 0.71 4.02 0.23 0.59 -5.01 119.30 116.08 3iu1 s MET 486 Ca 0.62 -1.41 -0.14 0.00 -1.03 0.00 0.00 55.69 53.74 3iu1 s MET 486 Cb -0.18 -0.81 0.03 0.00 -1.53 0.00 0.00 34.83 32.33 3iu1 s MET 486 CO 0.57 0.13 1.13 0.20 -2.03 0.00 0.00 175.02 175.01 3iu1 s GLY 487 N -2.96 2.06 0.41 3.16 0.00 -1.26 -4.39 107.32 104.34 3iu1 s GLY 487 Ca 0.15 0.55 0.17 0.00 0.00 0.00 0.00 44.72 45.59 3iu1 s GLY 487 CO 0.03 0.92 1.84 0.00 0.00 0.00 0.00 173.10 175.89 3iu1 h ALA 488 N -0.38 2.16 0.00 3.20 0.00 -1.88 -0.48 119.26 121.89 3iu1 h ALA 488 Ca -0.46 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3iu1 h ALA 488 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3iu1 h ALA 488 CO 0.52 -0.46 0.00 1.05 0.00 0.00 0.00 179.25 180.36 3iu1 h GLU 489 N 0.44 0.00 -0.01 0.00 9.09 -1.76 -1.85 114.58 120.48 3iu1 h GLU 489 Ca 0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.90 3iu1 h GLU 489 Cb 1.16 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.26 3iu1 h GLU 489 CO -0.20 0.00 -0.65 1.63 0.05 0.00 0.00 179.01 179.84 3iu1 n LYS 490 N -2.44 0.72 -2.67 1.06 4.76 -0.19 -3.84 118.16 115.55 3iu1 n LYS 490 Ca 0.01 -0.59 -0.43 0.00 -2.87 0.00 0.00 58.31 54.43 3iu1 n LYS 490 Cb 0.18 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.86 3iu1 n LYS 490 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3iu1 s VAL 491 N -2.68 4.72 -0.28 -0.18 1.01 -0.71 -0.27 120.40 122.00 3iu1 s VAL 491 Ca 0.15 2.04 0.12 0.00 0.00 0.00 0.00 61.98 64.28 3iu1 s VAL 491 Cb 0.17 -4.31 0.47 0.00 0.00 0.00 0.00 36.38 32.72 3iu1 s VAL 491 CO 0.68 -0.11 1.16 0.61 0.00 0.00 0.00 175.10 177.45 3iu1 n GLY 492 N 3.23 5.06 2.89 4.51 0.00 0.11 -1.44 105.19 119.56 3iu1 n GLY 492 Ca 0.11 -2.21 -0.22 0.00 0.00 0.00 0.00 46.02 43.70 3iu1 n GLY 492 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iu1 s LEU 493 N -3.65 1.24 -0.12 0.99 2.96 -1.12 -4.16 118.68 114.81 3iu1 s LEU 493 Ca 0.44 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3iu1 s LEU 493 Cb 0.38 -0.55 0.01 0.00 0.50 0.00 0.00 46.19 46.54 3iu1 s LEU 493 CO 0.01 -0.07 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.10 3iu1 s VAL 494 N 1.14 1.77 0.25 1.68 1.01 -1.26 -5.07 120.40 119.91 3iu1 s VAL 494 Ca -0.07 -0.80 0.08 0.00 0.00 0.00 0.00 61.98 61.19 3iu1 s VAL 494 Cb -0.14 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 3iu1 s VAL 494 CO -0.01 0.49 0.09 -0.76 0.00 0.00 0.00 175.10 174.91 3iu1 s LEU 495 N 0.92 3.50 0.00 3.92 1.43 -1.26 -5.06 118.68 122.13 3iu1 s LEU 495 Ca -0.06 -0.43 0.31 0.00 -1.03 0.00 0.00 54.13 52.92 3iu1 s LEU 495 Cb -0.15 -2.04 1.85 0.00 0.03 0.00 0.00 46.19 45.88 3iu1 s LEU 495 CO -0.02 -0.00 2.17 0.00 0.23 0.00 0.00 176.35 178.73