#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hj5 n GLY 127 N 0.00 2.65 3.76 -0.02 0.00 -1.26 -5.08 105.19 105.24 3hj5 n GLY 127 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3hj5 n GLY 127 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hj5 s TYR 128 N -2.66 2.56 -0.04 1.61 1.51 -1.26 -4.79 117.35 114.29 3hj5 s TYR 128 Ca 0.00 1.35 0.02 0.00 -1.01 0.00 0.00 57.07 57.43 3hj5 s TYR 128 Cb 0.00 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 38.77 3hj5 s TYR 128 CO 0.00 -1.98 -0.08 0.08 -1.11 0.00 0.00 175.55 172.45 3hj5 s VAL 129 N -2.97 0.77 -0.11 0.71 1.01 0.71 -4.85 120.40 115.68 3hj5 s VAL 129 Ca 0.62 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 3hj5 s VAL 129 Cb -0.17 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 3hj5 s VAL 129 CO 0.56 0.25 1.29 -0.22 0.00 0.00 0.00 175.10 176.99 3hj5 s LEU 130 N 0.43 4.23 0.00 3.92 2.96 -1.26 -2.05 118.68 126.91 3hj5 s LEU 130 Ca -0.07 1.81 -0.01 0.00 -0.22 0.00 0.00 54.13 55.64 3hj5 s LEU 130 Cb -0.11 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.05 3hj5 s LEU 130 CO 0.01 -0.72 0.11 0.61 -1.32 0.00 0.00 176.35 175.04 3hj5 n GLY 131 N 3.59 -0.89 3.95 7.98 0.00 0.02 -4.97 105.19 114.87 3hj5 n GLY 131 Ca 0.13 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 3hj5 n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hj5 s SER 132 N -1.40 4.96 -0.21 1.61 1.04 -1.26 -4.47 113.70 113.97 3hj5 s SER 132 Ca 0.06 0.23 -0.29 0.00 0.48 0.00 0.00 55.95 56.43 3hj5 s SER 132 Cb -0.00 -0.95 -0.02 0.00 0.10 0.00 0.00 66.02 65.15 3hj5 s SER 132 CO 0.04 -1.44 1.42 0.00 0.98 0.00 0.00 173.24 174.24 3hj5 s ALA 133 N -3.06 3.46 0.74 5.32 0.00 -1.26 -4.56 121.76 122.41 3hj5 s ALA 133 Ca 0.59 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.85 3hj5 s ALA 133 Cb -0.10 -3.75 0.04 0.00 0.00 0.00 0.00 23.12 19.31 3hj5 s ALA 133 CO 0.42 -1.60 1.12 -1.64 0.00 0.00 0.00 175.76 174.06 3hj5 s MET 134 N 4.09 2.53 0.09 0.00 -1.94 0.36 -4.99 119.30 119.44 3hj5 s MET 134 Ca 0.62 0.40 -0.30 0.00 -1.71 0.00 0.00 55.69 54.69 3hj5 s MET 134 Cb -0.22 -1.99 -0.06 0.00 2.01 0.00 0.00 34.83 34.57 3hj5 s MET 134 CO 0.23 -1.25 1.12 -1.12 -0.01 0.00 0.00 175.02 173.99 3hj5 s SER 135 N -4.35 7.20 0.06 3.03 0.01 -1.26 -4.88 113.70 113.51 3hj5 s SER 135 Ca 0.59 1.97 -0.31 0.00 1.31 0.00 0.00 55.95 59.52 3hj5 s SER 135 Cb -0.11 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.47 3hj5 s SER 135 CO 0.51 -0.35 1.19 -0.13 0.41 0.00 0.00 173.24 174.88 3hj5 s ARG 136 N 0.59 4.44 0.54 12.44 0.52 -1.26 -5.00 118.95 131.21 3hj5 s ARG 136 Ca 0.54 1.76 -0.13 0.00 -0.52 0.00 0.00 55.73 57.38 3hj5 s ARG 136 Cb -0.28 -3.35 -0.06 0.00 0.52 0.00 0.00 34.95 31.78 3hj5 s ARG 136 CO 0.31 -0.24 0.96 -1.25 0.02 0.00 0.00 175.30 175.10 3hj5 s PRO 137 N 1.03 3.78 -0.55 3.54 0.04 -1.26 -5.02 135.00 136.56 3hj5 s PRO 137 Ca 0.58 0.78 -0.24 0.00 0.04 0.00 0.00 61.00 62.16 3hj5 s PRO 137 Cb -0.29 -2.16 0.04 0.00 0.04 0.00 0.00 34.50 32.13 3hj5 s PRO 137 CO 0.29 -0.35 0.92 0.42 0.04 0.00 0.00 177.00 178.33 3hj5 s ILE 138 N -2.80 4.42 -0.27 0.56 1.01 -1.26 -5.02 121.20 117.83 3hj5 s ILE 138 Ca 0.56 0.22 -0.06 0.00 0.00 0.00 0.00 60.65 61.37 3hj5 s ILE 138 Cb -0.10 -4.53 0.00 0.00 0.01 0.00 0.00 42.46 37.84 3hj5 s ILE 138 CO 0.40 -1.10 0.04 -0.63 0.00 0.00 0.00 174.94 173.65 3hj5 s ILE 139 N 3.87 3.80 -0.72 2.92 1.01 -1.26 -5.05 121.20 125.76 3hj5 s ILE 139 Ca 0.29 -0.62 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 3hj5 s ILE 139 Cb -0.13 -2.89 0.10 0.00 0.01 0.00 0.00 42.46 39.54 3hj5 s ILE 139 CO 0.19 0.19 0.95 -1.00 0.00 0.00 0.00 174.94 175.27 3hj5 s HIS 140 N 1.49 2.88 1.14 3.97 3.76 -1.26 -4.94 115.29 122.34 3hj5 s HIS 140 Ca 0.03 -0.89 -0.16 0.00 -0.15 0.00 0.00 55.06 53.90 3hj5 s HIS 140 Cb -0.16 -4.23 0.26 0.00 1.11 0.00 0.00 32.58 29.56 3hj5 s HIS 140 CO 0.01 -1.53 1.06 -0.06 -0.85 0.00 0.00 174.74 173.38 3hj5 s PHE 141 N 3.35 1.20 0.17 1.40 0.08 -1.26 -4.97 117.98 117.95 3hj5 s PHE 141 Ca 0.23 0.83 -0.08 0.00 0.12 0.00 0.00 56.93 58.03 3hj5 s PHE 141 Cb -0.15 -3.24 0.05 0.00 -0.57 0.00 0.00 43.02 39.11 3hj5 s PHE 141 CO 0.04 -3.64 1.54 0.78 -0.10 0.00 0.00 175.22 173.83 3hj5 h GLY 142 N -2.43 0.94 -2.63 4.36 0.00 -1.98 -3.45 103.07 97.87 3hj5 h GLY 142 Ca -0.53 -0.90 -0.44 0.00 0.00 0.00 0.00 47.33 45.46 3hj5 h GLY 142 CO 0.47 0.82 -0.33 -1.35 0.00 0.00 0.00 176.54 176.14 3hj5 s SER 143 N -6.81 5.74 0.18 0.19 1.04 -1.26 -5.03 113.70 107.75 3hj5 s SER 143 Ca -0.10 -0.33 -0.02 0.00 0.48 0.00 0.00 55.95 55.98 3hj5 s SER 143 Cb 0.12 -1.00 0.06 0.00 0.10 0.00 0.00 66.02 65.30 3hj5 s SER 143 CO 0.86 -0.53 1.44 0.44 0.98 0.00 0.00 173.24 176.43 3hj5 h ASP 144 N 0.88 0.52 -0.33 7.02 3.32 -2.00 -2.67 116.42 123.15 3hj5 h ASP 144 Ca -0.44 -0.33 -0.06 0.00 0.02 0.00 0.00 57.03 56.22 3hj5 h ASP 144 Cb 1.26 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 3hj5 h ASP 144 CO 0.52 1.07 -0.04 0.22 -1.72 0.00 0.00 179.24 179.28 3hj5 h TYR 145 N 0.31 0.68 -0.28 4.55 3.20 -1.99 -1.98 116.97 121.46 3hj5 h TYR 145 Ca -0.03 -0.14 -0.15 0.00 3.14 0.00 0.00 58.73 61.55 3hj5 h TYR 145 Cb 1.28 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 3hj5 h TYR 145 CO 0.05 0.76 -0.45 0.93 -1.64 0.00 0.00 178.16 177.81 3hj5 h GLU 146 N 0.41 0.71 -0.21 1.82 5.08 -1.97 -0.60 114.58 119.82 3hj5 h GLU 146 Ca 0.09 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 58.03 3hj5 h GLU 146 Cb 0.52 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3hj5 h GLU 146 CO 0.03 1.01 0.05 -0.44 -1.00 0.00 0.00 179.01 178.66 3hj5 h ASP 147 N 0.57 0.33 -0.69 1.42 3.32 -1.46 -1.55 116.42 118.36 3hj5 h ASP 147 Ca 0.04 -0.24 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 3hj5 h ASP 147 Cb 1.00 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.43 3hj5 h ASP 147 CO 0.09 0.48 0.26 0.03 -1.72 0.00 0.00 179.24 178.38 3hj5 h ARG 148 N 0.16 1.07 0.82 3.56 3.08 -1.28 -2.32 114.38 119.47 3hj5 h ARG 148 Ca 0.07 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3hj5 h ARG 148 Cb 0.28 -0.17 0.01 0.00 0.08 0.00 0.00 29.97 30.17 3hj5 h ARG 148 CO 0.00 0.89 -0.40 -0.92 -1.07 0.00 0.00 179.97 178.47 3hj5 h TYR 149 N 1.04 -1.03 -0.37 3.04 3.20 -1.00 -3.03 116.97 118.82 3hj5 h TYR 149 Ca 0.24 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.14 3hj5 h TYR 149 Cb 0.24 0.34 -0.05 0.00 1.54 0.00 0.00 36.73 38.80 3hj5 h TYR 149 CO 0.02 -0.64 0.07 -0.92 -1.64 0.00 0.00 178.16 175.05 3hj5 h TYR 150 N -1.11 0.12 -1.02 -3.82 3.20 -1.22 0.10 116.97 113.22 3hj5 h TYR 150 Ca -0.11 0.02 0.26 0.00 3.14 0.00 0.00 58.73 62.04 3hj5 h TYR 150 Cb 0.85 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 39.04 3hj5 h TYR 150 CO -0.02 0.01 0.67 -0.09 -1.64 0.00 0.00 178.16 177.10 3hj5 h ARG 151 N 0.19 0.34 0.02 1.82 2.43 -1.41 0.24 114.38 118.01 3hj5 h ARG 151 Ca 0.18 -0.02 -0.33 0.00 -0.81 0.00 0.00 59.98 59.00 3hj5 h ARG 151 Cb 0.20 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.63 3hj5 h ARG 151 CO -0.23 0.22 -1.94 0.39 -1.51 0.00 0.00 179.97 176.90 3hj5 n GLU 152 N -4.54 0.67 0.01 0.20 1.02 -0.20 -4.40 120.64 113.40 3hj5 n GLU 152 Ca 0.24 0.23 0.11 0.00 -0.02 0.00 0.00 57.16 57.71 3hj5 n GLU 152 Cb 0.87 -1.71 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 3hj5 n GLU 152 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3hj5 n ASN 153 N -3.09 0.67 0.10 1.62 3.02 0.18 -4.59 115.26 113.16 3hj5 n ASN 153 Ca -0.25 -0.44 0.17 0.00 -0.03 0.00 0.00 54.58 54.04 3hj5 n ASN 153 Cb 1.07 0.83 0.70 0.00 -0.61 0.00 0.00 39.78 41.77 3hj5 n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hj5 h MET 154 N 0.00 0.00 0.00 3.52 -0.00 -0.76 0.34 114.93 118.03 3hj5 h MET 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hj5 h MET 154 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.24 3hj5 h MET 154 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.91 174.52 3hj5 n HIS 155 N -4.30 0.00 0.28 -0.10 1.44 -1.26 -2.89 115.22 108.39 3hj5 n HIS 155 Ca 0.05 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.87 3hj5 n HIS 155 Cb 0.44 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.40 3hj5 n HIS 155 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3hj5 n ARG 156 N -0.72 0.47 -3.77 -1.40 1.74 0.12 -4.93 116.66 108.16 3hj5 n ARG 156 Ca 0.06 -0.14 -0.32 0.00 -0.77 0.00 0.00 57.85 56.68 3hj5 n ARG 156 Cb 0.03 -1.52 -0.05 0.00 -1.02 0.00 0.00 32.46 29.90 3hj5 n ARG 156 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hj5 s TYR 157 N -3.37 3.52 0.68 -1.55 4.12 -1.14 -5.06 117.35 114.56 3hj5 s TYR 157 Ca -0.03 0.48 -0.17 0.00 0.02 0.00 0.00 57.07 57.37 3hj5 s TYR 157 Cb 0.15 -1.93 -0.01 0.00 -1.52 0.00 0.00 41.96 38.64 3hj5 s TYR 157 CO 0.90 0.53 1.00 -0.35 0.02 0.00 0.00 175.55 177.65 3hj5 n PRO 158 N 0.47 0.67 0.00 -1.71 -0.04 -1.26 -4.96 135.00 128.18 3hj5 n PRO 158 Ca -0.06 0.28 0.04 0.00 -0.04 0.00 0.00 63.50 63.72 3hj5 n PRO 158 Cb 0.52 -2.24 0.02 0.00 -0.04 0.00 0.00 33.50 31.76 3hj5 n PRO 158 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3hj5 n ASN 159 N -1.47 1.40 -3.94 3.54 6.94 -1.26 -5.00 115.26 115.46 3hj5 n ASN 159 Ca 0.14 -1.20 -0.10 0.00 -0.02 0.00 0.00 54.58 53.40 3hj5 n ASN 159 Cb 0.49 0.16 -0.10 0.00 -2.36 0.00 0.00 39.78 37.96 3hj5 n ASN 159 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hj5 s GLN 160 N -0.76 0.47 0.09 -3.83 -2.07 -1.26 -0.49 119.66 111.80 3hj5 s GLN 160 Ca 0.08 -0.63 0.10 0.00 -1.82 0.00 0.00 55.36 53.08 3hj5 s GLN 160 Cb 0.06 0.18 -0.03 0.00 -1.09 0.00 0.00 33.01 32.12 3hj5 s GLN 160 CO 0.12 -0.10 -0.27 0.54 -1.32 0.00 0.00 175.29 174.26 3hj5 s VAL 161 N -1.95 2.20 -0.13 3.63 0.11 -1.26 -4.91 120.40 118.08 3hj5 s VAL 161 Ca -0.11 -1.57 -0.15 0.00 -2.93 0.00 0.00 61.98 57.22 3hj5 s VAL 161 Cb -0.05 -1.91 -0.05 0.00 -1.53 0.00 0.00 36.38 32.84 3hj5 s VAL 161 CO -0.02 0.23 0.35 -0.31 -3.33 0.00 0.00 175.10 172.02 3hj5 s TYR 162 N -0.93 3.50 0.02 1.54 1.51 -1.26 -0.80 117.35 120.93 3hj5 s TYR 162 Ca 0.13 0.71 -0.10 0.00 -1.01 0.00 0.00 57.07 56.80 3hj5 s TYR 162 Cb -0.10 -2.38 0.01 0.00 -0.11 0.00 0.00 41.96 39.37 3hj5 s TYR 162 CO 0.04 0.27 0.20 1.52 -1.11 0.00 0.00 175.55 176.47 3hj5 s TYR 163 N 0.33 0.00 -0.60 2.71 1.13 -0.87 -4.59 117.35 115.47 3hj5 s TYR 163 Ca 0.20 -0.12 -0.23 0.00 -1.41 0.00 0.00 57.07 55.51 3hj5 s TYR 163 Cb -0.14 -0.01 0.06 0.00 -1.10 0.00 0.00 41.96 40.77 3hj5 s TYR 163 CO 0.06 -0.38 0.91 0.50 -2.51 0.00 0.00 175.55 174.14 3hj5 s ARG 164 N -1.94 3.20 0.58 -3.49 3.52 -1.26 -0.20 118.95 119.36 3hj5 s ARG 164 Ca -0.10 -0.60 -0.18 0.00 -0.13 0.00 0.00 55.73 54.72 3hj5 s ARG 164 Cb -0.04 -4.14 -0.07 0.00 -1.56 0.00 0.00 34.95 29.14 3hj5 s ARG 164 CO -0.00 -1.61 0.76 -2.30 -0.81 0.00 0.00 175.30 171.34 3hj5 n PRO 165 N 7.42 0.73 -2.25 5.12 -0.02 -1.26 -4.82 135.00 139.91 3hj5 n PRO 165 Ca -0.02 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.35 3hj5 n PRO 165 Cb 0.46 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 31.97 3hj5 n PRO 165 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3hj5 s MET 166 N -2.42 2.87 -0.04 -0.52 -1.94 -1.26 -4.77 119.30 111.21 3hj5 s MET 166 Ca 0.72 0.27 -0.23 0.00 -1.71 0.00 0.00 55.69 54.75 3hj5 s MET 166 Cb -0.44 -4.30 -0.17 0.00 2.01 0.00 0.00 34.83 31.93 3hj5 s MET 166 CO 0.51 -2.48 0.98 -0.44 -0.01 0.00 0.00 175.02 173.57 3hj5 h ASP 167 N 12.92 -0.16 0.00 3.03 3.32 -2.00 -3.49 116.42 130.04 3hj5 h ASP 167 Ca -0.27 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.39 3hj5 h ASP 167 Cb 1.12 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3hj5 h ASP 167 CO 1.24 0.38 0.00 1.21 -1.72 0.00 0.00 179.24 180.36 3hj5 n GLU 168 N -4.92 0.00 0.01 3.56 2.13 -1.26 -5.05 120.64 115.12 3hj5 n GLU 168 Ca -0.08 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.82 3hj5 n GLU 168 Cb 0.27 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.35 3hj5 n GLU 168 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 3hj5 n TYR 169 N -2.62 0.09 -2.81 4.31 0.53 -1.26 -4.79 117.16 110.61 3hj5 n TYR 169 Ca 0.00 0.03 -0.42 0.00 -1.02 0.00 0.00 57.90 56.49 3hj5 n TYR 169 Cb 0.00 -0.56 -0.03 0.00 -1.03 0.00 0.00 39.34 37.72 3hj5 n TYR 169 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 3hj5 s SER 170 N -3.14 6.97 0.42 7.72 0.01 -1.26 -5.05 113.70 119.37 3hj5 s SER 170 Ca 0.08 1.21 -0.01 0.00 1.31 0.00 0.00 55.95 58.53 3hj5 s SER 170 Cb 0.11 -2.48 -0.02 0.00 0.21 0.00 0.00 66.02 63.84 3hj5 s SER 170 CO 0.32 -0.52 0.66 0.54 0.41 0.00 0.00 173.24 174.64 3hj5 s ASN 171 N 1.23 6.09 0.00 2.44 2.20 -1.26 -4.88 114.94 120.76 3hj5 s ASN 171 Ca 0.39 0.50 -0.01 0.00 -0.94 0.00 0.00 52.86 52.81 3hj5 s ASN 171 Cb -0.16 -1.89 -0.00 0.00 -2.00 0.00 0.00 41.25 37.20 3hj5 s ASN 171 CO 0.09 -0.53 0.79 1.67 -2.94 0.00 0.00 177.10 176.18 3hj5 n GLN 172 N -2.02 -0.01 -0.09 3.55 7.27 -1.26 -0.94 117.38 123.88 3hj5 n GLN 172 Ca -0.01 0.79 -0.12 0.00 0.07 0.00 0.00 57.00 57.73 3hj5 n GLN 172 Cb 0.57 -1.18 -0.08 0.00 2.41 0.00 0.00 30.24 31.95 3hj5 n GLN 172 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 3hj5 h ASN 173 N 0.00 -1.54 -1.20 1.69 -1.24 -1.98 0.74 115.58 112.06 3hj5 h ASN 173 Ca 0.00 0.20 0.42 0.00 0.71 0.00 0.00 56.30 57.63 3hj5 h ASN 173 Cb 0.01 0.62 -0.15 0.00 0.73 0.00 0.00 38.32 39.53 3hj5 h ASN 173 CO -0.02 -0.36 0.73 0.78 -1.29 0.00 0.00 177.43 177.27 3hj5 h ASN 174 N -0.38 0.30 0.00 1.15 2.35 -1.76 -1.38 115.58 115.86 3hj5 h ASN 174 Ca 0.05 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3hj5 h ASN 174 Cb 0.52 0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3hj5 h ASN 174 CO -0.47 -0.26 -0.02 0.15 -1.65 0.00 0.00 177.43 175.18 3hj5 h PHE 175 N 0.08 0.00 -0.82 1.19 3.57 0.15 -3.25 116.94 117.86 3hj5 h PHE 175 Ca 0.83 0.00 0.14 0.00 3.53 0.00 0.00 57.97 62.47 3hj5 h PHE 175 Cb 2.40 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 41.08 3hj5 h PHE 175 CO -0.01 0.00 0.54 -0.39 -2.23 0.00 0.00 178.31 176.22 3hj5 h VAL 176 N -0.13 0.83 0.00 1.41 -1.51 0.40 0.59 116.25 117.85 3hj5 h VAL 176 Ca 0.00 -0.20 -0.14 0.00 -1.23 0.00 0.00 66.70 65.13 3hj5 h VAL 176 Cb 0.02 0.20 -0.02 0.00 -2.13 0.00 0.00 31.29 29.36 3hj5 h VAL 176 CO 0.00 0.11 -0.65 -0.74 -1.23 0.00 0.00 177.57 175.06 3hj5 h HIS 177 N 0.58 0.00 0.00 5.19 -0.00 -1.45 0.13 115.15 119.60 3hj5 h HIS 177 Ca 0.41 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.78 3hj5 h HIS 177 Cb 0.74 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.15 3hj5 h HIS 177 CO -0.00 0.65 -0.00 0.22 -0.00 0.00 0.00 177.93 178.80 3hj5 h ASP 178 N 0.00 -0.00 -0.58 3.26 3.58 -1.04 -1.11 116.42 120.53 3hj5 h ASP 178 Ca -0.01 -0.86 0.10 0.00 0.42 0.00 0.00 57.03 56.69 3hj5 h ASP 178 Cb 1.35 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 42.32 3hj5 h ASP 178 CO 0.08 0.86 0.14 0.00 -2.88 0.00 0.00 179.24 177.44 3hj5 h VAL 180 N 0.28 0.74 -0.45 0.00 2.07 -0.86 -2.87 116.25 115.16 3hj5 h VAL 180 Ca 0.30 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3hj5 h VAL 180 Cb 0.42 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 3hj5 h VAL 180 CO -0.37 0.03 -0.27 -3.20 0.02 0.00 0.00 177.57 173.79 3hj5 n ASN 181 N -5.22 -0.48 0.12 0.57 2.85 -0.42 -2.64 115.26 110.04 3hj5 n ASN 181 Ca -0.10 1.11 -0.10 0.00 -0.11 0.00 0.00 54.58 55.37 3hj5 n ASN 181 Cb 0.20 -0.25 -0.06 0.00 1.24 0.00 0.00 39.78 40.90 3hj5 n ASN 181 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 3hj5 h ILE 182 N 0.00 0.51 -0.81 -1.44 2.10 -1.53 -3.19 117.51 113.15 3hj5 h ILE 182 Ca 0.07 -0.85 0.27 0.00 1.08 0.00 0.00 64.86 65.43 3hj5 h ILE 182 Cb 0.19 0.83 -0.15 0.00 -1.09 0.00 0.00 36.82 36.60 3hj5 h ILE 182 CO -0.43 0.12 0.20 0.41 -1.08 0.00 0.00 178.15 177.37 3hj5 n THR 183 N -5.04 -0.34 -0.02 2.19 -1.04 -1.08 0.11 114.28 109.06 3hj5 n THR 183 Ca -0.08 1.72 -0.15 0.00 -2.04 0.00 0.00 64.05 63.50 3hj5 n THR 183 Cb 0.25 -2.63 -0.11 0.00 -1.82 0.00 0.00 70.33 66.02 3hj5 n THR 183 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3hj5 h ILE 184 N 0.00 1.53 0.00 12.58 2.04 -1.65 -0.72 117.51 131.29 3hj5 h ILE 184 Ca 0.58 -1.93 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3hj5 h ILE 184 Cb 1.36 2.73 0.00 0.00 -0.74 0.00 0.00 36.82 40.17 3hj5 h ILE 184 CO -0.70 0.53 0.00 1.17 0.00 0.00 0.00 178.15 179.15 3hj5 n LYS 185 N -4.49 0.03 -0.06 2.37 4.81 0.30 0.25 118.16 121.38 3hj5 n LYS 185 Ca -0.10 0.29 -0.02 0.00 -0.87 0.00 0.00 58.31 57.61 3hj5 n LYS 185 Cb 0.51 -1.50 -0.16 0.00 0.02 0.00 0.00 35.03 33.90 3hj5 n LYS 185 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3hj5 n GLN 186 N -1.46 0.67 0.02 1.64 -0.06 0.18 -4.13 117.38 114.24 3hj5 n GLN 186 Ca 0.03 -0.06 -0.02 0.00 -2.00 0.00 0.00 57.00 54.95 3hj5 n GLN 186 Cb 0.12 -1.54 -0.01 0.00 -4.06 0.00 0.00 30.24 24.75 3hj5 n GLN 186 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 3hj5 h HIS 187 N 0.00 -0.11 -0.29 3.69 2.76 0.58 -3.35 115.15 118.43 3hj5 h HIS 187 Ca -0.33 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 57.90 3hj5 h HIS 187 Cb 1.77 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 30.71 3hj5 h HIS 187 CO 0.00 -0.07 -0.06 2.41 -1.30 0.00 0.00 177.93 178.91 3hj5 n THR 188 N -3.69 -0.12 1.37 6.26 -1.04 0.14 0.18 114.28 117.39 3hj5 n THR 188 Ca -0.02 0.66 0.14 0.00 -2.04 0.00 0.00 64.05 62.79 3hj5 n THR 188 Cb 0.05 -0.93 0.50 0.00 -1.82 0.00 0.00 70.33 68.13 3hj5 n THR 188 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3hj5 n VAL 189 N -4.42 0.00 -2.04 12.58 0.24 -1.26 -4.83 118.33 118.60 3hj5 n VAL 189 Ca 0.05 -0.13 -0.42 0.00 -2.04 0.00 0.00 64.34 61.81 3hj5 n VAL 189 Cb 0.16 0.23 -0.03 0.00 -1.47 0.00 0.00 33.84 32.73 3hj5 n VAL 189 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hj5 s THR 190 N -2.38 2.87 -0.01 3.34 2.01 0.13 -4.98 115.64 116.63 3hj5 s THR 190 Ca 0.29 0.65 -0.25 0.00 0.31 0.00 0.00 61.69 62.69 3hj5 s THR 190 Cb 0.20 -3.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 3hj5 s THR 190 CO 0.46 0.06 0.78 -0.89 -0.69 0.00 0.00 174.62 174.35 3hj5 s THR 191 N 0.87 4.88 0.00 -0.82 2.01 -1.26 -5.04 115.64 116.28 3hj5 s THR 191 Ca 0.66 1.64 0.00 0.00 0.31 0.00 0.00 61.69 64.29 3hj5 s THR 191 Cb -0.41 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 67.98 3hj5 s THR 191 CO 0.33 0.28 0.00 1.07 -0.69 0.00 0.00 174.62 175.62 3hj5 n THR 192 N 3.39 0.00 -4.19 -0.82 5.66 -1.26 -5.18 114.28 111.88 3hj5 n THR 192 Ca -0.00 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.86 3hj5 n THR 192 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 3hj5 n THR 192 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3hj5 s THR 193 N 1.73 0.96 0.06 1.09 -4.23 -1.26 -5.06 115.64 108.94 3hj5 s THR 193 Ca 0.00 -1.79 -0.25 0.00 -1.18 0.00 0.00 61.69 58.47 3hj5 s THR 193 Cb 0.00 -1.53 -0.11 0.00 1.34 0.00 0.00 72.50 72.20 3hj5 s THR 193 CO 0.00 -0.65 1.39 0.11 -0.54 0.00 0.00 174.62 174.93 3hj5 h LYS 194 N 3.28 -0.62 -1.10 3.99 1.57 -2.02 -2.10 116.57 119.56 3hj5 h LYS 194 Ca -0.37 0.04 0.31 0.00 -1.87 0.00 0.00 60.65 58.77 3hj5 h LYS 194 Cb 1.19 0.14 -0.11 0.00 0.08 0.00 0.00 32.23 33.53 3hj5 h LYS 194 CO 0.57 -0.41 0.70 0.78 -0.57 0.00 0.00 179.45 180.52 3hj5 h GLY 195 N -0.64 1.34 2.00 3.86 0.00 -1.98 0.37 103.07 108.02 3hj5 h GLY 195 Ca -0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 3hj5 h GLY 195 CO -0.11 -0.24 -0.14 -2.09 0.00 0.00 0.00 176.54 173.96 3hj5 h GLU 196 N 0.32 0.00 0.00 4.80 4.81 -1.81 -2.97 114.58 119.73 3hj5 h GLU 196 Ca 0.66 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.80 3hj5 h GLU 196 Cb 1.77 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 31.13 3hj5 h GLU 196 CO -0.36 0.14 -1.11 -0.91 -0.73 0.00 0.00 179.01 176.04 3hj5 h ASN 197 N 0.00 0.00 -3.52 1.04 4.21 0.13 -3.48 115.58 113.96 3hj5 h ASN 197 Ca -0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 3hj5 h ASN 197 Cb 0.47 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 3hj5 h ASN 197 CO 0.02 0.32 0.48 -0.36 -1.29 0.00 0.00 177.43 176.60 3hj5 s PHE 198 N -3.11 3.59 0.79 1.19 0.40 -1.07 -5.04 117.98 114.73 3hj5 s PHE 198 Ca -0.01 1.58 -0.04 0.00 -0.60 0.00 0.00 56.93 57.86 3hj5 s PHE 198 Cb 0.09 -3.28 0.15 0.00 0.51 0.00 0.00 43.02 40.49 3hj5 s PHE 198 CO 0.79 -0.63 1.08 0.95 0.70 0.00 0.00 175.22 178.11 3hj5 s THR 199 N -0.05 2.06 0.57 0.64 -4.23 -1.26 -4.85 115.64 108.51 3hj5 s THR 199 Ca 0.50 -0.48 0.33 0.00 -1.18 0.00 0.00 61.69 60.87 3hj5 s THR 199 Cb -0.29 -2.58 0.48 0.00 1.34 0.00 0.00 72.50 71.45 3hj5 s THR 199 CO 0.34 0.00 1.75 -0.33 -0.54 0.00 0.00 174.62 175.84 3hj5 h GLU 200 N -0.81 0.00 0.00 3.99 5.08 -1.96 -2.57 114.58 118.30 3hj5 h GLU 200 Ca -0.37 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.98 3hj5 h GLU 200 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 3hj5 h GLU 200 CO 0.38 0.00 -0.07 1.15 -1.00 0.00 0.00 179.01 179.47 3hj5 h THR 201 N 0.00 0.22 -0.66 1.13 2.02 -1.99 -3.07 112.91 110.57 3hj5 h THR 201 Ca 0.45 -1.18 0.14 0.00 0.77 0.00 0.00 66.41 66.60 3hj5 h THR 201 Cb 2.06 0.43 -0.12 0.00 -1.74 0.00 0.00 68.15 68.78 3hj5 h THR 201 CO -0.00 0.08 -0.04 0.44 0.37 0.00 0.00 175.52 176.36 3hj5 h ASP 202 N -1.00 -0.38 -0.35 4.18 5.19 -1.89 1.04 116.42 123.22 3hj5 h ASP 202 Ca -0.01 0.17 0.03 0.00 -0.62 0.00 0.00 57.03 56.61 3hj5 h ASP 202 Cb 0.19 0.32 -0.04 0.00 0.18 0.00 0.00 39.33 39.98 3hj5 h ASP 202 CO -0.00 -0.16 -0.21 0.52 -3.12 0.00 0.00 179.24 176.27 3hj5 n VAL 203 N -5.34 -0.24 0.24 -1.35 0.31 -0.99 0.13 118.33 111.10 3hj5 n VAL 203 Ca 0.10 1.81 0.11 0.00 -0.01 0.00 0.00 64.34 66.35 3hj5 n VAL 203 Cb 0.38 -2.33 0.59 0.00 -0.91 0.00 0.00 33.84 31.57 3hj5 n VAL 203 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3hj5 h LYS 204 N 0.00 0.00 0.18 5.55 3.64 -1.00 -2.66 116.57 122.28 3hj5 h LYS 204 Ca 0.06 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.10 3hj5 h LYS 204 Cb 0.15 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3hj5 h LYS 204 CO -0.33 0.18 -1.67 1.98 -2.27 0.00 0.00 179.45 177.33 3hj5 h MET 205 N 0.00 0.38 0.00 1.90 4.05 0.23 -3.30 114.93 118.20 3hj5 h MET 205 Ca -0.00 -0.65 -0.22 0.00 -0.28 0.00 0.00 59.70 58.55 3hj5 h MET 205 Cb 0.55 0.24 -0.03 0.00 -0.80 0.00 0.00 31.60 31.56 3hj5 h MET 205 CO 0.02 1.29 -1.08 0.00 0.23 0.00 0.00 176.91 177.37 3hj5 h MET 206 N 0.10 0.00 -0.99 0.39 -0.00 0.11 -1.87 114.93 112.68 3hj5 h MET 206 Ca -0.31 0.00 0.09 0.00 -0.00 0.00 0.00 59.70 59.48 3hj5 h MET 206 Cb 2.09 0.00 -0.07 0.00 -0.00 0.00 0.00 31.60 33.62 3hj5 h MET 206 CO 0.19 0.91 0.63 1.05 -0.00 0.00 0.00 176.91 179.68 3hj5 h GLU 207 N 0.00 1.04 -0.39 -0.10 4.11 -1.62 0.82 114.58 118.44 3hj5 h GLU 207 Ca -0.05 -0.06 -0.13 0.00 0.07 0.00 0.00 59.36 59.19 3hj5 h GLU 207 Cb 1.79 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 3hj5 h GLU 207 CO 0.12 0.69 -0.27 -0.09 0.07 0.00 0.00 179.01 179.53 3hj5 h ARG 208 N 1.08 0.82 0.08 1.06 2.43 -1.59 -0.00 114.38 118.25 3hj5 h ARG 208 Ca 0.45 -0.36 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3hj5 h ARG 208 Cb 0.30 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3hj5 h ARG 208 CO -0.21 0.99 -0.04 0.28 -1.51 0.00 0.00 179.97 179.49 3hj5 h VAL 209 N 0.70 0.94 0.00 0.20 2.07 -0.24 -3.11 116.25 116.82 3hj5 h VAL 209 Ca 0.09 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3hj5 h VAL 209 Cb 0.81 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 3hj5 h VAL 209 CO 0.07 0.01 -0.25 0.58 0.02 0.00 0.00 177.57 178.00 3hj5 h VAL 210 N -0.12 0.55 -0.16 2.57 2.07 0.81 -2.59 116.25 119.37 3hj5 h VAL 210 Ca -0.01 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 3hj5 h VAL 210 Cb 0.10 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3hj5 h VAL 210 CO 0.02 0.24 0.09 -0.08 0.02 0.00 0.00 177.57 177.85 3hj5 h GLU 211 N 0.00 0.23 -0.23 1.57 4.81 -0.95 -0.67 114.58 119.34 3hj5 h GLU 211 Ca -0.00 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3hj5 h GLU 211 Cb 0.85 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3hj5 h GLU 211 CO 0.03 0.24 0.12 1.96 -0.73 0.00 0.00 179.01 180.63 3hj5 h GLN 212 N 0.15 0.24 0.00 1.92 1.08 -1.45 -1.02 115.11 116.04 3hj5 h GLN 212 Ca 0.06 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 3hj5 h GLN 212 Cb 0.08 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 3hj5 h GLN 212 CO -0.01 0.16 -0.09 0.52 -0.95 0.00 0.00 178.83 178.46 3hj5 h MET 213 N 0.25 0.00 0.04 1.46 2.86 -1.35 -1.54 114.93 116.65 3hj5 h MET 213 Ca 0.09 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.48 3hj5 h MET 213 Cb 0.02 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3hj5 h MET 213 CO -0.06 0.09 -1.24 0.00 1.06 0.00 0.00 176.91 176.76 3hj5 h ILE 215 N 0.03 1.24 0.00 0.00 2.04 -0.55 -0.14 117.51 120.13 3hj5 h ILE 215 Ca -0.11 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.07 3hj5 h ILE 215 Cb 1.89 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3hj5 h ILE 215 CO 0.14 0.27 -0.24 0.74 0.00 0.00 0.00 178.15 179.07 3hj5 h THR 216 N 1.08 0.96 0.12 -0.27 2.02 -1.35 -2.58 112.91 112.89 3hj5 h THR 216 Ca 0.27 -0.87 -0.28 0.00 0.77 0.00 0.00 66.41 66.30 3hj5 h THR 216 Cb 0.07 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 3hj5 h THR 216 CO -0.04 0.23 -1.28 -0.61 0.37 0.00 0.00 175.52 174.20 3hj5 h GLN 217 N 0.00 0.25 -0.63 6.66 5.75 -1.19 -1.94 115.11 124.01 3hj5 h GLN 217 Ca -0.00 -0.43 -0.01 0.00 -0.15 0.00 0.00 58.65 58.06 3hj5 h GLN 217 Cb 0.48 0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.16 3hj5 h GLN 217 CO 0.03 1.18 0.35 -0.92 -2.65 0.00 0.00 178.83 176.83 3hj5 h TYR 218 N 0.07 0.85 0.00 3.99 3.20 -0.81 0.54 116.97 124.81 3hj5 h TYR 218 Ca -0.14 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.60 3hj5 h TYR 218 Cb 1.97 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 39.95 3hj5 h TYR 218 CO 0.06 0.60 -0.52 0.93 -1.64 0.00 0.00 178.16 177.59 3hj5 h GLU 219 N 0.85 0.00 -0.12 1.82 5.08 -1.47 0.25 114.58 121.00 3hj5 h GLU 219 Ca 0.22 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3hj5 h GLU 219 Cb 0.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3hj5 h GLU 219 CO -0.04 0.52 -0.16 -0.09 -1.00 0.00 0.00 179.01 178.25 3hj5 h ARG 220 N 0.00 0.31 0.49 2.33 2.43 -1.07 -2.60 114.38 116.27 3hj5 h ARG 220 Ca -0.01 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 58.96 3hj5 h ARG 220 Cb 0.98 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3hj5 h ARG 220 CO 0.07 0.75 -0.23 1.49 -1.51 0.00 0.00 179.97 180.53 3hj5 h GLU 221 N -0.10 -0.63 -0.68 0.20 4.57 0.49 -3.15 114.58 115.28 3hj5 h GLU 221 Ca 0.01 0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.17 3hj5 h GLU 221 Cb 0.71 0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 29.41 3hj5 h GLU 221 CO 0.04 -0.32 0.18 0.66 -1.18 0.00 0.00 179.01 178.39 3hj5 h SER 222 N -0.93 1.01 -0.85 1.04 4.64 -0.68 -2.02 113.55 115.76 3hj5 h SER 222 Ca -0.07 -0.20 0.14 0.00 -0.47 0.00 0.00 61.79 61.20 3hj5 h SER 222 Cb 0.59 -0.26 -0.15 0.00 -0.31 0.00 0.00 62.40 62.27 3hj5 h SER 222 CO 0.11 0.96 -0.34 -0.61 -0.87 0.00 0.00 176.83 176.08 3hj5 h GLN 223 N 1.03 -0.05 -0.01 4.77 4.15 -1.47 0.20 115.11 123.73 3hj5 h GLN 223 Ca 0.22 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.50 3hj5 h GLN 223 Cb 0.33 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 3hj5 h GLN 223 CO -0.00 -0.03 -0.66 0.00 -1.93 0.00 0.00 178.83 176.20 3hj5 h ALA 224 N 1.35 0.88 0.00 3.38 0.00 -1.47 -3.17 119.26 120.23 3hj5 h ALA 224 Ca 0.33 -0.60 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hj5 h ALA 224 Cb 0.59 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hj5 h ALA 224 CO -0.88 0.82 -0.02 -0.92 0.00 0.00 0.00 179.25 178.25 3hj5 h TYR 225 N 0.03 0.00 -2.69 0.00 3.20 0.12 -3.25 116.97 114.39 3hj5 h TYR 225 Ca -0.01 0.00 -0.65 0.00 3.14 0.00 0.00 58.73 61.22 3hj5 h TYR 225 Cb 1.18 0.00 -0.39 0.00 1.54 0.00 0.00 36.73 39.05 3hj5 h TYR 225 CO 0.00 0.02 -0.35 0.66 -1.64 0.00 0.00 178.16 176.85 3hj5 n TYR 226 N -3.45 3.51 0.09 -3.82 4.01 -0.89 -5.07 117.16 111.53 3hj5 n TYR 226 Ca -0.03 -4.03 0.01 0.00 -0.16 0.00 0.00 57.90 53.70 3hj5 n TYR 226 Cb 0.12 -0.75 0.01 0.00 -0.31 0.00 0.00 39.34 38.40 3hj5 n TYR 226 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44