#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dx1 n LEU 125 N 0.00 0.00 0.08 0.99 4.77 -1.26 -4.75 117.00 116.83 1dx1 n LEU 125 Ca 0.00 -0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 55.66 1dx1 n LEU 125 Cb 0.00 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.19 1dx1 n LEU 125 CO 0.00 0.00 0.44 1.23 -1.33 0.00 0.00 177.39 177.73 1dx1 h GLY 126 N 0.00 0.26 -3.71 -0.72 0.00 -2.04 -3.10 103.07 93.77 1dx1 h GLY 126 Ca 0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 46.88 1dx1 h GLY 126 CO 0.00 0.31 -0.16 0.61 0.00 0.00 0.00 176.54 177.30 1dx1 n GLY 127 N 0.37 2.54 3.21 4.60 0.00 -1.26 -4.74 105.19 109.91 1dx1 n GLY 127 Ca -0.03 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.25 1dx1 n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dx1 s TYR 128 N 0.83 1.10 -0.45 1.61 1.51 -1.17 -4.81 117.35 115.97 1dx1 s TYR 128 Ca 0.34 -1.14 -0.17 0.00 -1.01 0.00 0.00 57.07 55.10 1dx1 s TYR 128 Cb 0.16 -0.62 0.04 0.00 -0.11 0.00 0.00 41.96 41.44 1dx1 s TYR 128 CO 0.00 -0.37 0.44 -1.64 -1.11 0.00 0.00 175.55 172.88 1dx1 s MET 129 N -3.99 3.05 -0.21 -0.62 -1.94 0.16 -4.92 119.30 110.83 1dx1 s MET 129 Ca 0.26 -1.00 -0.28 0.00 -1.71 0.00 0.00 55.69 52.96 1dx1 s MET 129 Cb 0.07 -4.05 0.00 0.00 2.01 0.00 0.00 34.83 32.87 1dx1 s MET 129 CO 0.04 -0.97 1.00 -1.17 -0.01 0.00 0.00 175.02 173.92 1dx1 s LEU 130 N 2.03 4.12 0.00 -0.03 1.98 -1.26 -1.11 118.68 124.41 1dx1 s LEU 130 Ca 0.09 1.35 0.09 0.00 -2.89 0.00 0.00 54.13 52.78 1dx1 s LEU 130 Cb -0.20 -3.49 0.50 0.00 0.66 0.00 0.00 46.19 43.67 1dx1 s LEU 130 CO 0.11 -0.61 1.08 0.61 -1.89 0.00 0.00 176.35 175.65 1dx1 n GLY 131 N 3.34 -0.43 2.54 7.98 0.00 0.55 -4.99 105.19 114.18 1dx1 n GLY 131 Ca 0.10 -0.05 0.13 0.00 0.00 0.00 0.00 46.02 46.21 1dx1 n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1dx1 n SER 132 N -1.14 -6.93 -4.78 1.61 2.88 -1.26 -4.78 113.62 99.21 1dx1 n SER 132 Ca 0.06 1.05 -0.37 0.00 -1.33 0.00 0.00 58.87 58.28 1dx1 n SER 132 Cb 0.05 -3.00 -0.06 0.00 -0.75 0.00 0.00 64.21 60.45 1dx1 n SER 132 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1dx1 s ALA 133 N -2.01 3.19 0.08 -1.46 0.00 -1.26 -3.91 121.76 116.39 1dx1 s ALA 133 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 51.96 52.51 1dx1 s ALA 133 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1dx1 s ALA 133 CO 0.00 0.14 0.08 0.00 0.00 0.00 0.00 175.76 175.98 1dx1 n MET 134 N 0.44 0.11 -1.92 0.00 0.00 -0.25 -4.95 117.12 110.54 1dx1 n MET 134 Ca 0.02 -0.78 -0.43 0.00 0.00 0.00 0.00 57.70 56.52 1dx1 n MET 134 Cb 0.50 0.66 -0.03 0.00 0.00 0.00 0.00 33.22 34.36 1dx1 n MET 134 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1dx1 s SER 135 N -1.56 6.25 -0.07 3.17 0.01 -1.26 -4.95 113.70 115.29 1dx1 s SER 135 Ca 0.09 1.95 -0.24 0.00 1.31 0.00 0.00 55.95 59.06 1dx1 s SER 135 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 1dx1 s SER 135 CO 0.06 -1.31 0.73 -0.13 0.41 0.00 0.00 173.24 173.00 1dx1 s ARG 136 N 4.87 4.43 0.76 12.44 0.52 -1.26 -4.87 118.95 135.83 1dx1 s ARG 136 Ca 0.80 0.92 -0.11 0.00 -0.52 0.00 0.00 55.73 56.82 1dx1 s ARG 136 Cb -0.31 -3.46 0.05 0.00 0.52 0.00 0.00 34.95 31.75 1dx1 s ARG 136 CO 0.33 0.02 1.08 -1.25 0.02 0.00 0.00 175.30 175.50 1dx1 s PRO 137 N 0.93 2.41 0.24 3.54 0.04 -1.26 -5.08 135.00 135.82 1dx1 s PRO 137 Ca 0.38 1.04 0.09 0.00 0.04 0.00 0.00 61.00 62.54 1dx1 s PRO 137 Cb -0.18 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1dx1 s PRO 137 CO 0.18 -1.50 0.01 -0.51 0.04 0.00 0.00 177.00 175.23 1dx1 s LEU 138 N -5.80 3.27 0.08 -3.56 1.43 -1.26 -5.04 118.68 107.80 1dx1 s LEU 138 Ca 0.60 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.23 1dx1 s LEU 138 Cb -0.16 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 1dx1 s LEU 138 CO 0.56 0.03 -0.18 -0.63 0.23 0.00 0.00 176.35 176.36 1dx1 s ILE 139 N -2.11 1.43 -1.04 -0.59 -1.09 -1.26 -5.07 121.20 111.47 1dx1 s ILE 139 Ca 0.30 -1.35 -0.20 0.00 -2.23 0.00 0.00 60.65 57.18 1dx1 s ILE 139 Cb -0.07 -1.31 0.10 0.00 -1.58 0.00 0.00 42.46 39.59 1dx1 s ILE 139 CO 0.20 -0.07 1.36 -1.00 -1.23 0.00 0.00 174.94 174.19 1dx1 s HIS 140 N -1.11 2.89 -0.02 3.97 3.76 -1.26 -4.80 115.29 118.71 1dx1 s HIS 140 Ca 0.03 -1.28 -0.20 0.00 -0.15 0.00 0.00 55.06 53.46 1dx1 s HIS 140 Cb -0.10 -4.51 -0.13 0.00 1.11 0.00 0.00 32.58 28.96 1dx1 s HIS 140 CO 0.03 -1.70 0.87 0.74 -0.85 0.00 0.00 174.74 173.83 1dx1 h PHE 141 N 8.90 -0.47 0.00 1.40 -1.00 -1.97 -3.49 116.94 120.31 1dx1 h PHE 141 Ca 0.22 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1dx1 h PHE 141 Cb 0.98 0.15 0.00 0.00 3.61 0.00 0.00 35.95 40.70 1dx1 h PHE 141 CO 1.23 -0.17 0.00 0.41 -1.61 0.00 0.00 178.31 178.18 1dx1 n GLY 142 N 0.17 1.38 3.17 -1.45 0.00 -1.26 -5.12 105.19 102.07 1dx1 n GLY 142 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1dx1 n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1dx1 s SER 143 N -2.00 1.32 0.25 1.61 0.15 -1.26 -5.03 113.70 108.74 1dx1 s SER 143 Ca 0.00 -0.85 0.00 0.00 0.70 0.00 0.00 55.95 55.80 1dx1 s SER 143 Cb 0.00 0.03 0.32 0.00 -1.71 0.00 0.00 66.02 64.66 1dx1 s SER 143 CO 0.00 -0.32 1.66 -0.78 1.20 0.00 0.00 173.24 175.01 1dx1 h ASP 144 N 3.45 0.55 0.82 5.45 3.58 -1.99 -2.94 116.42 125.34 1dx1 h ASP 144 Ca -0.36 -0.21 -0.04 0.00 0.42 0.00 0.00 57.03 56.84 1dx1 h ASP 144 Cb 1.18 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.09 1dx1 h ASP 144 CO 0.56 0.83 -0.39 0.22 -2.88 0.00 0.00 179.24 177.57 1dx1 h TYR 145 N 0.46 -1.02 0.00 0.28 3.20 -2.00 -1.77 116.97 116.12 1dx1 h TYR 145 Ca 0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1dx1 h TYR 145 Cb 0.76 0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.37 1dx1 h TYR 145 CO 0.03 -0.63 0.00 0.39 -1.64 0.00 0.00 178.16 176.31 1dx1 n GLU 146 N -5.52 0.06 0.00 1.82 1.02 -1.25 -0.23 120.64 116.53 1dx1 n GLU 146 Ca -0.14 0.24 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 1dx1 n GLU 146 Cb 0.44 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.74 1dx1 n GLU 146 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1dx1 n ASP 147 N -1.28 1.19 0.00 1.62 2.03 -0.67 -3.84 116.55 115.60 1dx1 n ASP 147 Ca 0.02 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.29 1dx1 n ASP 147 Cb 0.03 0.13 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 1dx1 n ASP 147 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1dx1 n ARG 148 N -0.45 1.25 0.09 -0.67 0.63 -0.27 -4.71 116.66 112.53 1dx1 n ARG 148 Ca 0.13 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.15 1dx1 n ARG 148 Cb 0.36 -0.96 0.55 0.00 0.45 0.00 0.00 32.46 32.86 1dx1 n ARG 148 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1dx1 h TYR 149 N 0.00 0.24 0.26 -0.14 3.20 -0.77 0.19 116.97 119.95 1dx1 h TYR 149 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 1dx1 h TYR 149 Cb 0.92 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1dx1 h TYR 149 CO 0.00 0.14 -0.13 -0.92 -1.64 0.00 0.00 178.16 175.61 1dx1 h TYR 150 N 0.24 -0.33 -0.58 -3.82 3.20 -1.82 -3.34 116.97 110.53 1dx1 h TYR 150 Ca 0.12 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.07 1dx1 h TYR 150 Cb 0.19 0.11 -0.11 0.00 1.54 0.00 0.00 36.73 38.46 1dx1 h TYR 150 CO -0.00 -0.20 -0.43 0.00 -1.64 0.00 0.00 178.16 175.89 1dx1 h ARG 151 N -0.83 -0.21 -0.18 1.82 3.08 -1.61 -0.02 114.38 116.43 1dx1 h ARG 151 Ca -0.04 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1dx1 h ARG 151 Cb 0.27 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1dx1 h ARG 151 CO 0.06 -0.14 0.05 0.93 -1.07 0.00 0.00 179.97 179.80 1dx1 h GLU 152 N -0.22 0.24 -0.01 0.04 5.08 -0.85 -2.88 114.58 115.99 1dx1 h GLU 152 Ca 0.18 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1dx1 h GLU 152 Cb 0.56 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1dx1 h GLU 152 CO -0.69 0.23 -0.43 0.09 -1.00 0.00 0.00 179.01 177.20 1dx1 n ASN 153 N -4.44 1.81 -0.12 1.42 5.03 -0.85 -4.81 115.26 113.29 1dx1 n ASN 153 Ca -0.00 -3.81 -0.01 0.00 0.87 0.00 0.00 54.58 51.62 1dx1 n ASN 153 Cb 0.13 -0.52 0.24 0.00 -1.02 0.00 0.00 39.78 38.61 1dx1 n ASN 153 CO 0.00 0.00 0.00 -0.03 -1.83 0.00 0.00 177.26 175.40 1dx1 h MET 154 N 0.89 0.80 0.00 3.52 1.85 -0.79 -0.54 114.93 120.67 1dx1 h MET 154 Ca 0.01 -0.12 -0.02 0.00 -0.61 0.00 0.00 59.70 58.96 1dx1 h MET 154 Cb 1.02 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 32.90 1dx1 h MET 154 CO 0.01 0.66 -0.08 1.12 -0.40 0.00 0.00 176.91 178.22 1dx1 h HIS 155 N 0.80 0.00 -0.00 1.39 2.07 -1.87 -2.72 115.15 114.81 1dx1 h HIS 155 Ca 0.19 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.71 1dx1 h HIS 155 Cb 0.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.13 1dx1 h HIS 155 CO 0.01 0.08 0.00 -2.13 -3.07 0.00 0.00 177.93 172.82 1dx1 n ARG 156 N -3.67 1.07 -4.39 5.12 0.63 -0.21 -4.62 116.66 110.59 1dx1 n ARG 156 Ca -0.02 -0.10 -0.24 0.00 -0.92 0.00 0.00 57.85 56.57 1dx1 n ARG 156 Cb 0.19 -1.48 -0.09 0.00 0.45 0.00 0.00 32.46 31.53 1dx1 n ARG 156 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 1dx1 s TYR 157 N -2.00 2.48 0.81 -0.14 2.02 -1.03 -5.13 117.35 114.36 1dx1 s TYR 157 Ca 0.46 -0.28 -0.11 0.00 -0.37 0.00 0.00 57.07 56.77 1dx1 s TYR 157 Cb 0.21 -1.10 0.08 0.00 -0.40 0.00 0.00 41.96 40.76 1dx1 s TYR 157 CO 0.36 0.66 1.10 -1.25 -1.57 0.00 0.00 175.55 174.84 1dx1 s PRO 158 N -3.50 1.90 0.00 -1.71 0.04 -1.26 -4.95 135.00 125.52 1dx1 s PRO 158 Ca 0.30 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1dx1 s PRO 158 Cb -0.06 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1dx1 s PRO 158 CO 0.17 -1.90 0.42 0.09 0.04 0.00 0.00 177.00 175.82 1dx1 n ASN 159 N -3.70 0.36 -4.09 6.66 3.02 -1.26 -4.97 115.26 111.28 1dx1 n ASN 159 Ca 0.09 -1.14 -0.12 0.00 -0.03 0.00 0.00 54.58 53.38 1dx1 n ASN 159 Cb 0.53 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.59 1dx1 n ASN 159 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1dx1 s GLN 160 N -0.14 0.62 0.25 3.52 -0.21 -1.26 -1.09 119.66 121.34 1dx1 s GLN 160 Ca 0.00 -0.92 0.11 0.00 0.02 0.00 0.00 55.36 54.56 1dx1 s GLN 160 Cb 0.00 -0.28 -0.05 0.00 1.00 0.00 0.00 33.01 33.69 1dx1 s GLN 160 CO 0.00 0.03 -0.14 0.14 -2.12 0.00 0.00 175.29 173.20 1dx1 s VAL 161 N -2.01 2.82 -0.25 1.09 -7.23 -1.25 -4.98 120.40 108.59 1dx1 s VAL 161 Ca -0.04 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.02 1dx1 s VAL 161 Cb -0.06 -2.45 0.08 0.00 0.56 0.00 0.00 36.38 34.50 1dx1 s VAL 161 CO -0.01 -0.30 0.04 -0.47 -0.31 0.00 0.00 175.10 174.05 1dx1 s TYR 162 N -2.19 1.60 -0.04 2.82 6.14 -1.26 -0.33 117.35 124.08 1dx1 s TYR 162 Ca 0.28 -1.41 -0.17 0.00 0.64 0.00 0.00 57.07 56.40 1dx1 s TYR 162 Cb -0.06 -1.43 0.03 0.00 0.42 0.00 0.00 41.96 40.92 1dx1 s TYR 162 CO 0.15 -0.75 0.39 1.52 0.64 0.00 0.00 175.55 177.50 1dx1 s TYR 163 N 1.66 -0.30 0.28 4.97 1.13 -0.26 -4.59 117.35 120.23 1dx1 s TYR 163 Ca 0.03 0.52 -0.29 0.00 -1.41 0.00 0.00 57.07 55.92 1dx1 s TYR 163 Cb -0.18 0.16 -0.09 0.00 -1.10 0.00 0.00 41.96 40.75 1dx1 s TYR 163 CO -0.15 -0.41 1.03 1.03 -2.51 0.00 0.00 175.55 174.55 1dx1 s ARG 164 N -1.10 4.69 1.08 -3.49 0.52 -1.26 0.36 118.95 119.75 1dx1 s ARG 164 Ca -0.11 1.65 -0.12 0.00 -0.52 0.00 0.00 55.73 56.62 1dx1 s ARG 164 Cb -0.04 -3.16 0.24 0.00 0.52 0.00 0.00 34.95 32.50 1dx1 s ARG 164 CO 0.05 0.30 1.06 -1.25 0.02 0.00 0.00 175.30 175.48 1dx1 s PRO 165 N -1.45 -0.25 0.65 3.54 0.04 -1.26 -4.71 135.00 131.56 1dx1 s PRO 165 Ca 0.44 0.87 0.43 0.00 0.04 0.00 0.00 61.00 62.78 1dx1 s PRO 165 Cb -0.29 -1.63 2.30 0.00 0.04 0.00 0.00 34.50 34.92 1dx1 s PRO 165 CO 0.36 -3.29 2.33 0.28 0.04 0.00 0.00 177.00 176.73 1dx1 h VAL 166 N -2.31 0.05 -0.17 -0.36 2.07 -1.96 -3.35 116.25 110.23 1dx1 h VAL 166 Ca -0.57 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1dx1 h VAL 166 Cb 1.32 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1dx1 h VAL 166 CO 0.51 0.00 0.00 -0.90 0.02 0.00 0.00 177.57 177.20 1dx1 n ASP 167 N -3.15 0.00 0.00 0.57 5.75 -1.26 -4.19 116.55 114.27 1dx1 n ASP 167 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1dx1 n ASP 167 Cb 0.09 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 1dx1 n ASP 167 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1dx1 n GLN 168 N 0.00 0.00 0.00 0.11 0.00 -1.26 -1.38 117.38 114.85 1dx1 n GLN 168 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1dx1 n GLN 168 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1dx1 n GLN 168 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1dx1 n TYR 169 N 0.00 0.00 -2.53 3.69 9.36 -1.26 -5.07 117.16 121.35 1dx1 n TYR 169 Ca 0.00 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.81 1dx1 n TYR 169 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 1dx1 n TYR 169 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1dx1 s SER 170 N -0.18 6.23 1.05 2.98 0.15 -0.48 -4.96 113.70 118.50 1dx1 s SER 170 Ca 0.00 -0.79 -0.08 0.00 0.70 0.00 0.00 55.95 55.78 1dx1 s SER 170 Cb 0.00 -2.56 0.11 0.00 -1.71 0.00 0.00 66.02 61.86 1dx1 s SER 170 CO 0.00 -1.76 0.51 -0.46 1.20 0.00 0.00 173.24 172.74 1dx1 n ASN 171 N 9.40 -0.63 0.31 5.45 6.94 -1.26 -4.63 115.26 130.84 1dx1 n ASN 171 Ca 0.15 -1.01 -0.13 0.00 -0.02 0.00 0.00 54.58 53.58 1dx1 n ASN 171 Cb 0.50 -0.42 -0.06 0.00 -2.36 0.00 0.00 39.78 37.44 1dx1 n ASN 171 CO 0.00 0.00 0.00 -0.61 -1.03 0.00 0.00 177.26 175.62 1dx1 h GLN 172 N 0.00 -0.79 0.55 -3.83 -0.00 -1.97 -3.37 115.11 105.69 1dx1 h GLN 172 Ca -0.18 0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 58.50 1dx1 h GLN 172 Cb 0.51 0.18 0.01 0.00 0.00 0.00 0.00 27.48 28.17 1dx1 h GLN 172 CO 0.12 -0.53 -0.26 -0.97 0.00 0.00 0.00 178.83 177.19 1dx1 h ASN 173 N -1.08 -0.63 -0.67 -0.69 -0.73 -1.99 -2.15 115.58 107.64 1dx1 h ASN 173 Ca -0.08 0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.11 1dx1 h ASN 173 Cb 0.63 0.16 -0.03 0.00 0.27 0.00 0.00 38.32 39.35 1dx1 h ASN 173 CO 0.14 -0.35 0.43 0.78 -0.37 0.00 0.00 177.43 178.06 1dx1 h ASN 174 N -0.94 0.77 -0.51 1.15 2.35 -1.97 -2.87 115.58 113.57 1dx1 h ASN 174 Ca -0.08 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1dx1 h ASN 174 Cb 0.57 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1dx1 h ASN 174 CO 0.12 0.57 0.28 0.15 -1.65 0.00 0.00 177.43 176.91 1dx1 h PHE 175 N 0.90 0.70 -0.79 1.19 3.57 -1.72 0.16 116.94 120.96 1dx1 h PHE 175 Ca 0.24 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 1dx1 h PHE 175 Cb -0.08 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.40 1dx1 h PHE 175 CO -0.02 0.51 0.48 0.28 -2.23 0.00 0.00 178.31 177.32 1dx1 h VAL 176 N 0.68 1.22 -0.11 1.41 2.07 -1.15 0.18 116.25 120.54 1dx1 h VAL 176 Ca 0.18 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 1dx1 h VAL 176 Cb 0.04 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1dx1 h VAL 176 CO -0.03 0.23 -0.20 -0.74 0.02 0.00 0.00 177.57 176.85 1dx1 h HIS 177 N 1.08 0.41 -0.76 1.57 -0.00 -1.51 -3.06 115.15 112.88 1dx1 h HIS 177 Ca 0.28 -0.14 0.06 0.00 -0.00 0.00 0.00 60.37 60.57 1dx1 h HIS 177 Cb -0.05 -0.08 -0.06 0.00 -0.00 0.00 0.00 27.41 27.22 1dx1 h HIS 177 CO 0.00 0.80 0.45 0.22 -0.00 0.00 0.00 177.93 179.41 1dx1 h ASP 178 N -0.09 0.69 -0.11 3.26 3.58 0.12 -0.10 116.42 123.76 1dx1 h ASP 178 Ca 0.01 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.52 1dx1 h ASP 178 Cb 0.77 -0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.64 1dx1 h ASP 178 CO 0.04 0.44 -0.43 0.00 -2.88 0.00 0.00 179.24 176.41 1dx1 h VAL 180 N -0.52 1.15 0.15 0.00 2.07 -1.20 -1.45 116.25 116.46 1dx1 h VAL 180 Ca 0.07 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1dx1 h VAL 180 Cb 0.64 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1dx1 h VAL 180 CO -0.39 0.16 -0.40 -1.13 0.02 0.00 0.00 177.57 175.82 1dx1 h ASN 181 N 0.29 -1.19 -0.74 0.57 -0.73 -0.86 -0.20 115.58 112.71 1dx1 h ASN 181 Ca 0.09 0.12 0.12 0.00 1.87 0.00 0.00 56.30 58.50 1dx1 h ASN 181 Cb 0.14 0.43 -0.08 0.00 0.27 0.00 0.00 38.32 39.08 1dx1 h ASN 181 CO -0.01 -0.45 0.34 0.40 -0.37 0.00 0.00 177.43 177.34 1dx1 h ILE 182 N -0.62 0.76 0.00 2.57 1.08 -0.85 0.16 117.51 120.61 1dx1 h ILE 182 Ca -0.01 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1dx1 h ILE 182 Cb 0.60 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1dx1 h ILE 182 CO -0.19 0.10 -1.51 0.41 -0.69 0.00 0.00 178.15 176.27 1dx1 n THR 183 N -4.92 0.08 0.36 -0.27 -1.04 -0.56 -0.52 114.28 107.41 1dx1 n THR 183 Ca 0.13 -0.34 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 1dx1 n THR 183 Cb 0.34 0.25 -0.09 0.00 -1.82 0.00 0.00 70.33 69.02 1dx1 n THR 183 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1dx1 h VAL 184 N 0.00 0.30 0.37 12.58 2.07 -0.96 -3.35 116.25 127.26 1dx1 h VAL 184 Ca 0.00 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 1dx1 h VAL 184 Cb 0.83 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1dx1 h VAL 184 CO 0.00 0.02 -0.28 0.50 0.02 0.00 0.00 177.57 177.82 1dx1 h LYS 185 N -0.99 -0.61 -1.03 1.57 3.64 -0.75 -0.84 116.57 117.56 1dx1 h LYS 185 Ca -0.09 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1dx1 h LYS 185 Cb 0.71 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1dx1 h LYS 185 CO 0.15 -0.40 0.00 -1.91 -2.27 0.00 0.00 179.45 175.02 1dx1 n GLU 186 N -4.08 0.63 0.04 1.90 0.00 0.33 -0.96 120.64 118.50 1dx1 n GLU 186 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.08 1dx1 n GLU 186 Cb 0.27 -1.24 0.00 0.00 0.00 0.00 0.00 31.44 30.47 1dx1 n GLU 186 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1dx1 n HIS 187 N 0.45 -0.34 -0.22 4.31 -0.00 -1.04 -4.92 115.22 113.46 1dx1 n HIS 187 Ca 0.00 0.06 -0.07 0.00 0.46 0.00 0.00 57.72 58.17 1dx1 n HIS 187 Cb 0.24 0.15 0.07 0.00 -0.12 0.00 0.00 29.99 30.34 1dx1 n HIS 187 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 1dx1 h THR 188 N 0.00 1.26 -0.18 3.57 2.02 -0.92 -2.10 112.91 116.56 1dx1 h THR 188 Ca 0.00 -1.00 0.05 0.00 0.77 0.00 0.00 66.41 66.23 1dx1 h THR 188 Cb 0.00 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 66.96 1dx1 h THR 188 CO 0.00 0.38 -0.43 0.58 0.37 0.00 0.00 175.52 176.41 1dx1 h VAL 189 N 1.01 0.13 -0.17 3.16 2.07 -1.24 0.13 116.25 121.34 1dx1 h VAL 189 Ca 0.20 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.54 1dx1 h VAL 189 Cb 0.41 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1dx1 h VAL 189 CO 0.01 0.00 -0.64 0.74 0.02 0.00 0.00 177.57 177.70 1dx1 h THR 190 N -0.47 1.32 -0.73 2.57 2.02 -1.75 -2.87 112.91 113.00 1dx1 h THR 190 Ca 0.08 -1.91 -0.03 0.00 0.77 0.00 0.00 66.41 65.32 1dx1 h THR 190 Cb 0.62 1.88 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 1dx1 h THR 190 CO -0.43 0.59 0.33 0.74 0.37 0.00 0.00 175.52 177.12 1dx1 h THR 191 N 0.45 1.24 0.00 3.16 2.02 -0.98 -0.44 112.91 118.36 1dx1 h THR 191 Ca -0.01 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1dx1 h THR 191 Cb 1.22 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1dx1 h THR 191 CO 0.12 0.30 0.00 0.74 0.37 0.00 0.00 175.52 177.05 1dx1 h THR 192 N 1.03 0.00 -0.01 3.16 2.02 -0.58 -0.21 112.91 118.32 1dx1 h THR 192 Ca 0.25 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1dx1 h THR 192 Cb 0.16 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1dx1 h THR 192 CO -0.03 0.00 -0.52 1.07 0.37 0.00 0.00 175.52 176.41 1dx1 n THR 193 N -2.69 0.00 1.64 3.16 5.66 -0.31 -4.30 114.28 117.44 1dx1 n THR 193 Ca -0.02 -0.24 0.15 0.00 -3.05 0.00 0.00 64.05 60.89 1dx1 n THR 193 Cb 0.06 1.14 0.75 0.00 -1.55 0.00 0.00 70.33 70.73 1dx1 n THR 193 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1dx1 n LYS 194 N -0.53 0.90 -2.61 1.09 4.76 -0.12 -4.91 118.16 116.75 1dx1 n LYS 194 Ca 0.06 -0.22 -0.05 0.00 -2.87 0.00 0.00 58.31 55.23 1dx1 n LYS 194 Cb 0.34 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 32.05 1dx1 n LYS 194 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1dx1 n GLY 195 N 1.16 0.44 3.39 0.72 0.00 -1.21 -5.08 105.19 104.62 1dx1 n GLY 195 Ca 0.19 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.61 1dx1 n GLY 195 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dx1 s GLU 196 N -4.93 1.48 0.11 1.61 2.56 -1.04 -5.07 118.70 113.42 1dx1 s GLU 196 Ca 0.09 -1.75 -0.03 0.00 0.00 0.00 0.00 54.97 53.28 1dx1 s GLU 196 Cb -0.04 -0.97 -0.03 0.00 2.00 0.00 0.00 34.13 35.08 1dx1 s GLU 196 CO 0.18 -0.01 0.08 1.21 -0.56 0.00 0.00 175.26 176.17 1dx1 s ASN 197 N -3.40 0.30 0.39 -1.70 2.47 -1.26 -3.97 114.94 107.78 1dx1 s ASN 197 Ca 0.29 -1.04 0.04 0.00 0.42 0.00 0.00 52.86 52.56 1dx1 s ASN 197 Cb 0.04 0.29 -0.04 0.00 -1.45 0.00 0.00 41.25 40.09 1dx1 s ASN 197 CO 0.11 -0.72 0.07 -0.36 -3.72 0.00 0.00 177.10 172.48 1dx1 s PHE 198 N -3.98 1.92 0.10 0.43 0.08 -1.26 -5.05 117.98 110.23 1dx1 s PHE 198 Ca 0.16 -1.06 0.02 0.00 0.12 0.00 0.00 56.93 56.17 1dx1 s PHE 198 Cb 0.07 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 1dx1 s PHE 198 CO -0.03 -0.04 -0.06 0.95 -0.10 0.00 0.00 175.22 175.93 1dx1 s THR 199 N -3.16 0.69 0.24 0.64 -4.23 -1.26 -5.04 115.64 103.51 1dx1 s THR 199 Ca 0.27 -1.94 -0.05 0.00 -1.18 0.00 0.00 61.69 58.80 1dx1 s THR 199 Cb 0.06 -1.70 0.22 0.00 1.34 0.00 0.00 72.50 72.42 1dx1 s THR 199 CO 0.14 -0.86 1.84 -0.08 -0.54 0.00 0.00 174.62 175.11 1dx1 h GLU 200 N 2.96 0.90 -0.97 3.99 4.81 -2.03 0.41 114.58 124.66 1dx1 h GLU 200 Ca -0.35 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 58.87 1dx1 h GLU 200 Cb 1.17 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 1dx1 h GLU 200 CO 0.65 0.59 0.63 1.15 -0.73 0.00 0.00 179.01 181.30 1dx1 h THR 201 N 0.92 1.14 -0.15 0.32 2.02 -1.97 0.10 112.91 115.29 1dx1 h THR 201 Ca 0.38 -0.41 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 1dx1 h THR 201 Cb 0.23 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1dx1 h THR 201 CO -0.20 0.22 -0.45 0.44 0.37 0.00 0.00 175.52 175.90 1dx1 h ASP 202 N 1.19 0.39 -0.08 4.18 5.19 -1.36 0.21 116.42 126.14 1dx1 h ASP 202 Ca 0.39 -0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1dx1 h ASP 202 Cb 0.05 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 1dx1 h ASP 202 CO -0.14 0.79 -0.10 0.40 -3.12 0.00 0.00 179.24 177.08 1dx1 h ILE 203 N 0.30 1.38 0.00 0.35 1.08 -0.60 -2.38 117.51 117.63 1dx1 h ILE 203 Ca 0.02 -1.30 -0.02 0.00 -0.39 0.00 0.00 64.86 63.17 1dx1 h ILE 203 Cb 0.92 2.07 -0.00 0.00 -3.07 0.00 0.00 36.82 36.73 1dx1 h ILE 203 CO 0.08 0.36 -0.10 0.11 -0.69 0.00 0.00 178.15 177.91 1dx1 h LYS 204 N -0.24 0.00 0.76 2.37 1.57 -0.62 0.19 116.57 120.60 1dx1 h LYS 204 Ca 0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1dx1 h LYS 204 Cb 0.63 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.95 1dx1 h LYS 204 CO 0.02 0.10 -0.36 0.52 -0.57 0.00 0.00 179.45 179.16 1dx1 h MET 205 N 0.00 -0.98 -0.54 3.15 2.86 -0.54 -3.24 114.93 115.64 1dx1 h MET 205 Ca -0.00 0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1dx1 h MET 205 Cb 0.23 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 1dx1 h MET 205 CO 0.01 -0.66 0.35 0.00 1.06 0.00 0.00 176.91 177.68 1dx1 h MET 206 N -1.16 0.68 -0.32 1.72 -0.00 -0.84 -0.63 114.93 114.38 1dx1 h MET 206 Ca -0.10 -0.04 0.09 0.00 -0.00 0.00 0.00 59.70 59.65 1dx1 h MET 206 Cb 0.78 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 32.21 1dx1 h MET 206 CO 0.17 0.45 0.27 0.93 -0.00 0.00 0.00 176.91 178.73 1dx1 h GLU 207 N 0.70 0.00 0.02 -0.10 4.39 -1.11 -0.04 114.58 118.45 1dx1 h GLU 207 Ca 0.21 0.00 -0.31 0.00 0.34 0.00 0.00 59.36 59.60 1dx1 h GLU 207 Cb -0.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 1dx1 h GLU 207 CO -0.06 0.00 -1.69 -2.13 -1.16 0.00 0.00 179.01 173.97 1dx1 n ARG 208 N -4.16 0.61 -0.05 2.33 3.00 -0.92 -4.00 116.66 113.47 1dx1 n ARG 208 Ca 0.05 0.44 -0.16 0.00 -0.00 0.00 0.00 57.85 58.18 1dx1 n ARG 208 Cb 0.43 -1.68 -0.06 0.00 0.00 0.00 0.00 32.46 31.15 1dx1 n ARG 208 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 1dx1 h VAL 209 N -0.77 1.30 -0.36 5.15 3.04 -0.60 -0.69 116.25 123.32 1dx1 h VAL 209 Ca -0.44 -1.80 -0.07 0.00 -1.01 0.00 0.00 66.70 63.38 1dx1 h VAL 209 Cb 1.52 1.91 -0.01 0.00 -2.01 0.00 0.00 31.29 32.69 1dx1 h VAL 209 CO -0.20 0.57 -0.05 0.58 -1.01 0.00 0.00 177.57 177.46 1dx1 h VAL 210 N 0.44 1.27 -0.02 1.51 2.07 -1.25 -1.05 116.25 119.23 1dx1 h VAL 210 Ca -0.02 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1dx1 h VAL 210 Cb 1.20 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1dx1 h VAL 210 CO 0.12 0.35 -0.28 -0.08 0.02 0.00 0.00 177.57 177.70 1dx1 h GLU 211 N 0.46 -0.41 -0.37 1.57 4.81 -1.66 -0.85 114.58 118.13 1dx1 h GLU 211 Ca 0.10 0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1dx1 h GLU 211 Cb 0.53 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.99 1dx1 h GLU 211 CO 0.03 -0.27 0.01 1.96 -0.73 0.00 0.00 179.01 180.01 1dx1 h GLN 212 N -0.42 0.58 -0.35 1.92 1.08 -0.95 0.10 115.11 117.08 1dx1 h GLN 212 Ca 0.07 -0.13 -0.11 0.00 -1.45 0.00 0.00 58.65 57.03 1dx1 h GLN 212 Cb 0.51 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1dx1 h GLN 212 CO -0.25 0.60 -0.24 0.52 -0.95 0.00 0.00 178.83 178.50 1dx1 h MET 213 N 0.56 0.69 -0.08 1.46 2.86 -0.77 0.19 114.93 119.84 1dx1 h MET 213 Ca 0.12 -0.28 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1dx1 h MET 213 Cb 0.34 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1dx1 h MET 213 CO 0.01 0.87 -0.06 0.00 1.06 0.00 0.00 176.91 178.80 1dx1 h ILE 215 N -0.22 1.08 0.11 0.00 2.04 -0.81 0.35 117.51 120.05 1dx1 h ILE 215 Ca 0.02 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.57 1dx1 h ILE 215 Cb 0.54 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.65 1dx1 h ILE 215 CO 0.02 0.17 -0.50 0.74 0.00 0.00 0.00 178.15 178.57 1dx1 h THR 216 N 0.91 0.00 -0.79 -0.27 2.02 -0.86 0.27 112.91 114.20 1dx1 h THR 216 Ca 0.32 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.60 1dx1 h THR 216 Cb 0.07 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.41 1dx1 h THR 216 CO -0.14 0.00 0.44 1.56 0.37 0.00 0.00 175.52 177.75 1dx1 h GLN 217 N -0.71 0.71 -0.02 6.66 1.08 -0.62 -0.83 115.11 121.37 1dx1 h GLN 217 Ca -0.01 -0.04 -0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1dx1 h GLN 217 Cb 0.72 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1dx1 h GLN 217 CO -0.27 0.47 0.01 -0.92 -0.95 0.00 0.00 178.83 177.17 1dx1 h TYR 218 N 0.73 0.03 -0.18 2.96 3.20 -0.70 -1.87 116.97 121.15 1dx1 h TYR 218 Ca 0.39 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.24 1dx1 h TYR 218 Cb 0.37 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1dx1 h TYR 218 CO -0.07 0.12 0.05 1.96 -1.64 0.00 0.00 178.16 178.57 1dx1 h GLN 219 N -0.07 0.25 0.27 1.82 4.20 0.28 0.29 115.11 122.15 1dx1 h GLN 219 Ca 0.01 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1dx1 h GLN 219 Cb 0.10 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1dx1 h GLN 219 CO -0.00 0.23 -0.13 0.00 -0.67 0.00 0.00 178.83 178.26 1dx1 h ARG 220 N 0.25 -0.35 -0.42 1.46 3.08 -0.97 -3.05 114.38 114.38 1dx1 h ARG 220 Ca 0.06 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1dx1 h ARG 220 Cb 0.10 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1dx1 h ARG 220 CO -0.00 -0.02 0.10 0.93 -1.07 0.00 0.00 179.97 179.91 1dx1 h GLU 221 N -0.72 0.62 -0.65 0.04 4.39 -0.87 -2.44 114.58 114.96 1dx1 h GLU 221 Ca -0.04 -0.11 0.07 0.00 0.34 0.00 0.00 59.36 59.62 1dx1 h GLU 221 Cb 0.49 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 1dx1 h GLU 221 CO 0.06 0.57 0.43 1.03 -1.16 0.00 0.00 179.01 179.94 1dx1 h SER 222 N 0.61 0.54 0.93 1.42 0.87 -0.45 0.14 113.55 117.61 1dx1 h SER 222 Ca 0.14 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.66 1dx1 h SER 222 Cb 0.24 -0.11 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1dx1 h SER 222 CO -0.00 0.35 -0.46 1.56 -0.53 0.00 0.00 176.83 177.75 1dx1 h GLN 223 N 0.61 -1.22 0.00 2.24 4.20 -1.32 -2.88 115.11 116.75 1dx1 h GLN 223 Ca 0.29 0.08 -0.02 0.00 0.06 0.00 0.00 58.65 59.06 1dx1 h GLN 223 Cb 0.33 0.28 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 1dx1 h GLN 223 CO -0.09 -0.81 -0.09 0.00 -0.67 0.00 0.00 178.83 177.17 1dx1 h ALA 224 N -1.19 1.53 -0.62 3.87 0.00 -1.13 0.10 119.26 121.83 1dx1 h ALA 224 Ca -0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 1dx1 h ALA 224 Cb 0.97 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1dx1 h ALA 224 CO 0.20 0.11 0.18 -0.92 0.00 0.00 0.00 179.25 178.82 1dx1 h TYR 225 N 0.00 1.02 -1.45 0.00 5.03 -0.79 -3.32 116.97 117.46 1dx1 h TYR 225 Ca -0.00 -0.11 -0.52 0.00 2.58 0.00 0.00 58.73 60.68 1dx1 h TYR 225 Cb 0.20 -0.29 -0.41 0.00 1.55 0.00 0.00 36.73 37.78 1dx1 h TYR 225 CO 0.00 0.84 -0.88 0.66 -1.32 0.00 0.00 178.16 177.46 1dx1 n TYR 226 N -4.36 2.68 1.55 -3.82 4.01 -0.50 -5.09 117.16 111.62 1dx1 n TYR 226 Ca 0.04 -3.12 0.12 0.00 -0.16 0.00 0.00 57.90 54.78 1dx1 n TYR 226 Cb 0.22 -0.21 0.73 0.00 -0.31 0.00 0.00 39.34 39.77 1dx1 n TYR 226 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40