#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hak n GLY 126 N 0.00 2.52 3.93 -3.96 0.00 -1.26 -4.39 105.19 102.03 3hak n GLY 126 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 3hak n GLY 126 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hak s GLY 127 N -0.92 1.70 0.14 -0.02 0.00 -1.26 -4.89 107.32 102.08 3hak s GLY 127 Ca 0.49 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 44.19 3hak s GLY 127 CO 0.27 -0.42 0.33 -0.19 0.00 0.00 0.00 173.10 173.09 3hak s TYR 128 N -3.58 3.49 0.20 1.90 1.51 -1.26 -4.15 117.35 115.45 3hak s TYR 128 Ca 0.66 0.37 0.02 0.00 -1.01 0.00 0.00 57.07 57.11 3hak s TYR 128 Cb -0.08 -1.86 -0.05 0.00 -0.11 0.00 0.00 41.96 39.86 3hak s TYR 128 CO 0.49 0.46 0.02 0.14 -1.11 0.00 0.00 175.55 175.56 3hak s VAL 129 N -1.70 0.69 0.01 0.71 -7.23 -0.13 -4.93 120.40 107.81 3hak s VAL 129 Ca 0.38 -1.99 -0.17 0.00 -1.81 0.00 0.00 61.98 58.38 3hak s VAL 129 Cb -0.12 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.49 3hak s VAL 129 CO 0.27 -0.34 0.49 -0.76 -0.31 0.00 0.00 175.10 174.46 3hak s LEU 130 N -3.22 4.46 0.00 1.32 1.43 -1.26 -1.06 118.68 120.35 3hak s LEU 130 Ca 0.28 1.07 -0.08 0.00 -1.03 0.00 0.00 54.13 54.37 3hak s LEU 130 Cb 0.06 -2.75 0.16 0.00 0.03 0.00 0.00 46.19 43.70 3hak s LEU 130 CO 0.07 0.24 1.01 0.61 0.23 0.00 0.00 176.35 178.50 3hak n GLY 131 N 2.05 -0.57 3.77 -3.19 0.00 0.14 -4.97 105.19 102.41 3hak n GLY 131 Ca -0.11 -1.83 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 3hak n GLY 131 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hak s SER 132 N -4.82 5.57 0.33 1.61 1.04 -1.26 -4.54 113.70 111.63 3hak s SER 132 Ca 0.60 2.24 -0.29 0.00 0.48 0.00 0.00 55.95 58.99 3hak s SER 132 Cb -0.02 -2.59 -0.10 0.00 0.10 0.00 0.00 66.02 63.41 3hak s SER 132 CO 0.41 -1.32 1.37 0.00 0.98 0.00 0.00 173.24 174.68 3hak s ALA 133 N -1.72 3.53 0.05 5.32 0.00 -1.26 -4.61 121.76 123.08 3hak s ALA 133 Ca 0.74 1.34 0.06 0.00 0.00 0.00 0.00 51.96 54.11 3hak s ALA 133 Cb -0.26 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.31 3hak s ALA 133 CO 0.29 -0.75 -0.12 -1.64 0.00 0.00 0.00 175.76 173.53 3hak s MET 134 N -1.67 2.22 0.71 0.00 -1.94 0.18 -5.00 119.30 113.80 3hak s MET 134 Ca 0.51 -0.93 -0.11 0.00 -1.71 0.00 0.00 55.69 53.45 3hak s MET 134 Cb -0.42 -2.32 0.02 0.00 2.01 0.00 0.00 34.83 34.13 3hak s MET 134 CO 0.54 0.54 1.07 -1.54 -0.01 0.00 0.00 175.02 175.63 3hak s SER 135 N -1.73 5.10 -0.09 3.03 1.04 -1.26 -4.84 113.70 114.95 3hak s SER 135 Ca 0.18 1.73 -0.30 0.00 0.48 0.00 0.00 55.95 58.03 3hak s SER 135 Cb -0.11 -2.51 -0.08 0.00 0.10 0.00 0.00 66.02 63.42 3hak s SER 135 CO 0.09 -1.63 2.06 0.54 0.98 0.00 0.00 173.24 175.28 3hak n ARG 136 N -3.12 2.34 -1.87 4.02 5.12 -1.26 -4.95 116.66 116.94 3hak n ARG 136 Ca 0.08 0.79 -0.31 0.00 -1.93 0.00 0.00 57.85 56.48 3hak n ARG 136 Cb 0.53 -3.00 0.02 0.00 -1.16 0.00 0.00 32.46 28.85 3hak n ARG 136 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3hak s PRO 137 N 5.17 3.48 -0.11 5.56 0.04 -1.26 -4.99 135.00 142.90 3hak s PRO 137 Ca 0.95 0.71 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3hak s PRO 137 Cb -0.47 -2.07 -0.02 0.00 0.04 0.00 0.00 34.50 31.98 3hak s PRO 137 CO 0.42 -0.65 1.17 0.42 0.04 0.00 0.00 177.00 178.40 3hak s ILE 138 N -3.20 4.39 -0.10 0.56 1.01 -1.26 -5.02 121.20 117.58 3hak s ILE 138 Ca 0.56 1.69 -0.00 0.00 0.00 0.00 0.00 60.65 62.89 3hak s ILE 138 Cb -0.11 -4.09 0.02 0.00 0.01 0.00 0.00 42.46 38.29 3hak s ILE 138 CO 0.54 -0.06 -0.07 -0.63 0.00 0.00 0.00 174.94 174.72 3hak s ILE 139 N 2.63 0.97 -0.13 2.92 -1.09 -1.26 -5.14 121.20 120.10 3hak s ILE 139 Ca 0.53 -0.26 -0.09 0.00 -2.23 0.00 0.00 60.65 58.60 3hak s ILE 139 Cb -0.22 -0.99 -0.04 0.00 -1.58 0.00 0.00 42.46 39.63 3hak s ILE 139 CO 0.18 0.35 0.17 -1.00 -1.23 0.00 0.00 174.94 173.41 3hak s HIS 140 N 1.63 3.55 0.53 3.97 3.76 -1.26 -5.03 115.29 122.44 3hak s HIS 140 Ca 0.03 0.52 0.05 0.00 -0.15 0.00 0.00 55.06 55.51 3hak s HIS 140 Cb -0.13 -2.05 0.03 0.00 1.11 0.00 0.00 32.58 31.54 3hak s HIS 140 CO -0.07 0.58 0.36 -0.06 -0.85 0.00 0.00 174.74 174.71 3hak s PHE 141 N -0.58 1.70 -0.68 1.40 0.40 -1.26 -5.05 117.98 113.92 3hak s PHE 141 Ca 0.14 -0.83 0.25 0.00 -0.60 0.00 0.00 56.93 55.89 3hak s PHE 141 Cb -0.12 -1.90 0.90 0.00 0.51 0.00 0.00 43.02 42.41 3hak s PHE 141 CO 0.03 -0.39 1.75 0.41 0.70 0.00 0.00 175.22 177.72 3hak n GLY 142 N -1.70 -1.50 3.08 4.36 0.00 -1.26 -4.89 105.19 103.27 3hak n GLY 142 Ca -0.03 0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3hak n GLY 142 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hak s SER 143 N -4.22 0.34 0.16 1.61 1.04 -1.26 -5.03 113.70 106.35 3hak s SER 143 Ca 0.09 -0.77 -0.15 0.00 0.48 0.00 0.00 55.95 55.60 3hak s SER 143 Cb 0.12 0.20 0.09 0.00 0.10 0.00 0.00 66.02 66.53 3hak s SER 143 CO 0.50 -0.53 1.74 0.44 0.98 0.00 0.00 173.24 176.37 3hak h ASP 144 N 3.54 0.09 -0.58 7.02 3.32 -1.99 -1.09 116.42 126.73 3hak h ASP 144 Ca -0.33 0.05 0.08 0.00 0.02 0.00 0.00 57.03 56.85 3hak h ASP 144 Cb 1.17 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 40.71 3hak h ASP 144 CO 0.57 0.09 0.22 0.22 -1.72 0.00 0.00 179.24 178.62 3hak h TYR 145 N 0.26 0.39 -0.39 4.55 3.20 -2.00 -1.09 116.97 121.90 3hak h TYR 145 Ca 0.18 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 3hak h TYR 145 Cb 0.19 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3hak h TYR 145 CO -0.17 0.12 -0.06 0.93 -1.64 0.00 0.00 178.16 177.34 3hak h GLU 146 N 0.41 0.73 -0.99 1.82 5.08 -1.87 -1.29 114.58 118.47 3hak h GLU 146 Ca 0.28 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hak h GLU 146 Cb 0.33 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 3hak h GLU 146 CO -0.28 0.86 0.65 -0.44 -1.00 0.00 0.00 179.01 178.80 3hak h ASP 147 N 0.54 1.11 -0.15 1.42 3.32 -0.84 0.11 116.42 121.94 3hak h ASP 147 Ca 0.10 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3hak h ASP 147 Cb 0.57 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3hak h ASP 147 CO 0.03 0.78 -0.13 -0.09 -1.72 0.00 0.00 179.24 178.11 3hak h ARG 148 N 1.30 0.35 -0.42 3.56 2.43 -1.07 -0.92 114.38 119.62 3hak h ARG 148 Ca 0.38 -0.18 0.06 0.00 -0.81 0.00 0.00 59.98 59.42 3hak h ARG 148 Cb -0.08 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3hak h ARG 148 CO -0.10 0.72 0.13 -0.92 -1.51 0.00 0.00 179.97 178.29 3hak h TYR 149 N -0.01 0.23 -0.20 2.20 3.20 -1.03 -1.92 116.97 119.43 3hak h TYR 149 Ca 0.03 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.94 3hak h TYR 149 Cb 0.65 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 3hak h TYR 149 CO 0.08 0.08 0.04 -0.92 -1.64 0.00 0.00 178.16 175.79 3hak h TYR 150 N 0.29 0.06 -0.81 -3.82 3.20 -0.66 -0.75 116.97 114.48 3hak h TYR 150 Ca 0.20 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.12 3hak h TYR 150 Cb 0.20 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 3hak h TYR 150 CO -0.16 0.02 0.53 -0.09 -1.64 0.00 0.00 178.16 176.81 3hak h ARG 151 N 0.12 0.95 0.00 1.82 2.43 -0.87 0.65 114.38 119.47 3hak h ARG 151 Ca 0.09 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3hak h ARG 151 Cb 0.09 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3hak h ARG 151 CO -0.12 0.63 -0.24 0.93 -1.51 0.00 0.00 179.97 179.66 3hak h GLU 152 N 0.98 0.00 0.00 0.20 5.08 -0.84 -3.35 114.58 116.65 3hak h GLU 152 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3hak h GLU 152 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hak h GLU 152 CO -0.10 0.00 -0.40 0.09 -1.00 0.00 0.00 179.01 177.61 3hak n ASN 153 N -2.48 0.65 0.30 1.42 3.02 -0.33 -4.72 115.26 113.11 3hak n ASN 153 Ca 0.04 -0.57 0.17 0.00 -0.03 0.00 0.00 54.58 54.18 3hak n ASN 153 Cb 0.47 1.03 0.96 0.00 -0.61 0.00 0.00 39.78 41.63 3hak n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hak h MET 154 N 0.00 0.00 -0.01 3.52 -0.00 -1.02 0.17 114.93 117.59 3hak h MET 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hak h MET 154 Cb 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.76 3hak h MET 154 CO 0.00 0.02 0.03 1.12 -0.00 0.00 0.00 176.91 178.08 3hak h HIS 155 N 0.00 0.00 -0.01 -0.10 2.07 -1.84 -0.76 115.15 114.50 3hak h HIS 155 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hak h HIS 155 Cb 0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.03 3hak h HIS 155 CO 0.00 0.00 -0.16 0.54 -3.07 0.00 0.00 177.93 175.24 3hak n ARG 156 N -3.34 0.93 -3.50 5.12 1.74 0.60 -4.93 116.66 113.27 3hak n ARG 156 Ca -0.03 -0.47 -0.19 0.00 -0.77 0.00 0.00 57.85 56.40 3hak n ARG 156 Cb 0.11 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.05 3hak n ARG 156 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hak s TYR 157 N -2.39 3.13 0.65 -1.55 2.02 -0.29 -5.09 117.35 113.82 3hak s TYR 157 Ca 0.29 -0.21 -0.17 0.00 -0.37 0.00 0.00 57.07 56.61 3hak s TYR 157 Cb 0.20 -1.97 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 3hak s TYR 157 CO 0.47 0.02 1.19 -2.14 -1.57 0.00 0.00 175.55 173.51 3hak s PRO 158 N -4.16 2.70 -0.06 -1.71 0.02 -1.26 -4.96 135.00 125.57 3hak s PRO 158 Ca 0.44 1.71 0.08 0.00 0.02 0.00 0.00 61.00 63.26 3hak s PRO 158 Cb -0.09 -1.91 0.13 0.00 0.02 0.00 0.00 34.50 32.65 3hak s PRO 158 CO 0.31 -1.39 1.01 0.27 -0.33 0.00 0.00 177.00 176.87 3hak n ASN 159 N -2.08 1.44 -3.77 2.53 6.94 -1.26 -4.99 115.26 114.07 3hak n ASN 159 Ca 0.13 -2.37 -0.13 0.00 -0.02 0.00 0.00 54.58 52.19 3hak n ASN 159 Cb 0.50 -0.24 -0.12 0.00 -2.36 0.00 0.00 39.78 37.57 3hak n ASN 159 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3hak s GLN 160 N -1.47 0.30 0.12 -3.83 0.74 -1.26 0.48 119.66 114.73 3hak s GLN 160 Ca 0.14 0.42 0.09 0.00 0.05 0.00 0.00 55.36 56.06 3hak s GLN 160 Cb 0.12 0.09 -0.04 0.00 1.10 0.00 0.00 33.01 34.29 3hak s GLN 160 CO 0.01 -0.07 -0.18 0.14 -0.55 0.00 0.00 175.29 174.65 3hak s VAL 161 N 0.41 2.87 -0.02 1.34 -7.23 -1.26 -4.94 120.40 111.57 3hak s VAL 161 Ca -0.02 -1.49 -0.16 0.00 -1.81 0.00 0.00 61.98 58.49 3hak s VAL 161 Cb -0.04 -2.32 -0.05 0.00 0.56 0.00 0.00 36.38 34.53 3hak s VAL 161 CO -0.02 0.10 0.45 -0.31 -0.31 0.00 0.00 175.10 175.01 3hak s TYR 162 N -1.15 3.69 0.16 2.82 1.51 -1.26 -0.69 117.35 122.43 3hak s TYR 162 Ca 0.18 1.00 -0.07 0.00 -1.01 0.00 0.00 57.07 57.18 3hak s TYR 162 Cb -0.11 -2.38 -0.02 0.00 -0.11 0.00 0.00 41.96 39.34 3hak s TYR 162 CO 0.10 0.52 0.22 1.52 -1.11 0.00 0.00 175.55 176.80 3hak s TYR 163 N -0.65 0.53 -0.35 2.71 -0.85 -0.22 -4.37 117.35 114.16 3hak s TYR 163 Ca 0.25 -0.90 -0.02 0.00 -0.52 0.00 0.00 57.07 55.88 3hak s TYR 163 Cb -0.17 -0.18 0.07 0.00 0.38 0.00 0.00 41.96 42.07 3hak s TYR 163 CO 0.13 -0.67 0.09 0.50 -1.52 0.00 0.00 175.55 174.08 3hak s ARG 164 N -3.99 2.24 0.40 -3.49 3.52 -1.26 -0.96 118.95 115.41 3hak s ARG 164 Ca 0.19 -1.49 0.16 0.00 -0.13 0.00 0.00 55.73 54.46 3hak s ARG 164 Cb 0.04 -3.36 1.04 0.00 -1.56 0.00 0.00 34.95 31.12 3hak s ARG 164 CO 0.01 -0.81 1.82 -1.35 -0.81 0.00 0.00 175.30 174.16 3hak h PRO 165 N 8.02 0.44 0.00 5.12 0.11 -1.88 0.17 132.00 143.98 3hak h PRO 165 Ca -0.17 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.89 3hak h PRO 165 Cb 1.06 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3hak h PRO 165 CO 0.60 0.29 -0.07 0.52 -0.21 0.00 0.00 178.00 179.13 3hak h MET 166 N 0.45 0.00 0.00 1.05 2.86 -1.86 -0.67 114.93 116.76 3hak h MET 166 Ca 0.52 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.16 3hak h MET 166 Cb 1.24 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.90 3hak h MET 166 CO -0.24 0.07 0.00 -0.25 1.06 0.00 0.00 176.91 177.56 3hak n ASP 167 N -3.47 0.63 0.16 1.22 8.00 0.60 -1.18 116.55 122.51 3hak n ASP 167 Ca -0.02 0.71 0.13 0.00 0.71 0.00 0.00 54.79 56.33 3hak n ASP 167 Cb 0.21 -0.83 0.54 0.00 -0.02 0.00 0.00 41.12 41.03 3hak n ASP 167 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 3hak h GLU 168 N 0.00 0.00 -0.16 -1.24 5.08 -1.21 -0.31 114.58 116.75 3hak h GLU 168 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hak h GLU 168 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hak h GLU 168 CO 0.00 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 178.67 3hak n TYR 169 N -2.41 0.20 -3.76 4.33 4.02 -0.33 -4.90 117.16 114.32 3hak n TYR 169 Ca 0.02 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.80 3hak n TYR 169 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3hak n TYR 169 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3hak n SER 170 N 0.28 1.75 -4.91 7.72 3.41 -0.13 -5.14 113.62 116.61 3hak n SER 170 Ca 0.16 -0.88 -0.28 0.00 -0.26 0.00 0.00 58.87 57.61 3hak n SER 170 Cb 0.32 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.30 3hak n SER 170 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3hak s ASN 171 N -0.79 5.60 0.26 4.04 2.20 -1.26 -4.91 114.94 120.08 3hak s ASN 171 Ca 0.00 0.85 -0.03 0.00 -0.94 0.00 0.00 52.86 52.74 3hak s ASN 171 Cb 0.00 -1.81 0.39 0.00 -2.00 0.00 0.00 41.25 37.83 3hak s ASN 171 CO 0.00 -1.11 1.88 -0.61 -2.94 0.00 0.00 177.10 174.32 3hak h GLN 172 N -0.28 1.11 -0.84 3.55 -0.00 -1.97 -2.37 115.11 114.30 3hak h GLN 172 Ca -0.45 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.10 3hak h GLN 172 Cb 1.25 -0.25 -0.04 0.00 0.00 0.00 0.00 27.48 28.44 3hak h GLN 172 CO 0.62 0.74 0.41 -0.97 0.00 0.00 0.00 178.83 179.62 3hak h ASN 173 N 1.14 1.10 0.14 -0.69 -1.24 -1.98 -1.54 115.58 112.51 3hak h ASN 173 Ca 0.42 -0.13 -0.01 0.00 0.71 0.00 0.00 56.30 57.30 3hak h ASN 173 Cb 0.17 -0.28 0.00 0.00 0.73 0.00 0.00 38.32 38.94 3hak h ASN 173 CO -0.17 0.92 -0.07 0.78 -1.29 0.00 0.00 177.43 177.60 3hak h ASN 174 N 1.20 -0.16 -0.54 1.15 2.35 -1.83 -0.49 115.58 117.25 3hak h ASN 174 Ca 0.29 -0.10 0.09 0.00 -0.55 0.00 0.00 56.30 56.03 3hak h ASN 174 Cb 0.11 0.04 -0.07 0.00 0.05 0.00 0.00 38.32 38.45 3hak h ASN 174 CO -0.04 -0.00 0.13 0.15 -1.65 0.00 0.00 177.43 176.02 3hak h PHE 175 N -0.31 0.22 -0.11 1.19 3.57 -1.29 0.30 116.94 120.50 3hak h PHE 175 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3hak h PHE 175 Cb 0.25 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.97 3hak h PHE 175 CO -0.03 0.02 -0.05 0.28 -2.23 0.00 0.00 178.31 176.29 3hak h VAL 176 N 0.28 1.31 -0.35 1.41 2.07 -1.17 -1.44 116.25 118.36 3hak h VAL 176 Ca 0.27 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3hak h VAL 176 Cb 0.36 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3hak h VAL 176 CO -0.33 0.30 0.15 -0.74 0.02 0.00 0.00 177.57 176.98 3hak h HIS 177 N -0.11 0.28 -0.73 1.57 -0.00 -0.88 0.17 115.15 115.44 3hak h HIS 177 Ca 0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 3hak h HIS 177 Cb 0.50 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.80 3hak h HIS 177 CO 0.06 0.14 0.41 -0.44 -0.00 0.00 0.00 177.93 178.11 3hak h ASP 178 N 0.32 0.90 -0.57 3.26 3.32 -0.89 -0.79 116.42 121.98 3hak h ASP 178 Ca 0.15 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.06 3hak h ASP 178 Cb 0.09 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 3hak h ASP 178 CO -0.12 0.73 0.15 0.00 -1.72 0.00 0.00 179.24 178.27 3hak h VAL 180 N 0.81 1.21 0.24 0.00 2.07 -0.42 -0.95 116.25 119.22 3hak h VAL 180 Ca 0.18 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 67.04 3hak h VAL 180 Cb 0.34 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3hak h VAL 180 CO 0.00 0.20 -0.27 -1.13 0.02 0.00 0.00 177.57 176.40 3hak h ASN 181 N 0.09 -0.72 -0.19 0.57 -1.24 -0.98 -1.63 115.58 111.48 3hak h ASN 181 Ca 0.05 0.07 -0.17 0.00 0.71 0.00 0.00 56.30 56.96 3hak h ASN 181 Cb 0.28 0.25 -0.00 0.00 0.73 0.00 0.00 38.32 39.57 3hak h ASN 181 CO 0.00 -0.38 -0.51 0.40 -1.29 0.00 0.00 177.43 175.65 3hak h ILE 182 N -0.55 1.29 -0.27 2.57 1.08 -1.19 -1.41 117.51 119.02 3hak h ILE 182 Ca -0.00 -1.71 -0.01 0.00 -0.39 0.00 0.00 64.86 62.76 3hak h ILE 182 Cb 0.52 1.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 3hak h ILE 182 CO -0.07 0.55 0.15 0.74 -0.69 0.00 0.00 178.15 178.83 3hak h THR 183 N 0.60 1.12 -0.17 -0.27 2.02 -1.13 0.40 112.91 115.49 3hak h THR 183 Ca 0.02 -0.32 -0.20 0.00 0.77 0.00 0.00 66.41 66.69 3hak h THR 183 Cb 1.09 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3hak h THR 183 CO 0.11 0.12 -0.68 0.40 0.37 0.00 0.00 175.52 175.84 3hak h ILE 184 N 0.33 1.30 -0.35 3.11 2.04 -1.23 -1.28 117.51 121.43 3hak h ILE 184 Ca 0.10 -1.93 -0.04 0.00 1.00 0.00 0.00 64.86 63.99 3hak h ILE 184 Cb 0.06 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 3hak h ILE 184 CO -0.02 0.61 0.06 0.11 0.00 0.00 0.00 178.15 178.91 3hak h LYS 185 N 0.50 0.58 -0.67 2.37 1.57 -1.17 -0.19 116.57 119.55 3hak h LYS 185 Ca -0.02 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 3hak h LYS 185 Cb 1.28 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 3hak h LYS 185 CO 0.14 0.65 0.16 1.96 -0.57 0.00 0.00 179.45 181.78 3hak h GLN 186 N 0.42 1.07 -0.12 3.15 1.08 -0.87 -0.45 115.11 119.39 3hak h GLN 186 Ca 0.11 -0.25 -0.10 0.00 -1.45 0.00 0.00 58.65 56.96 3hak h GLN 186 Cb 0.34 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 3hak h GLN 186 CO 0.01 0.95 -0.37 1.25 -0.95 0.00 0.00 178.83 179.72 3hak h HIS 187 N 1.02 0.28 -0.22 2.96 2.76 -1.03 -0.48 115.15 120.45 3hak h HIS 187 Ca 0.21 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.29 3hak h HIS 187 Cb 0.36 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 3hak h HIS 187 CO 0.03 0.58 0.03 1.15 -1.30 0.00 0.00 177.93 178.43 3hak h THR 188 N 0.21 1.23 -0.42 6.26 2.02 -0.49 0.63 112.91 122.35 3hak h THR 188 Ca 0.02 -0.75 0.05 0.00 0.77 0.00 0.00 66.41 66.50 3hak h THR 188 Cb 0.75 1.30 -0.05 0.00 -1.74 0.00 0.00 68.15 68.42 3hak h THR 188 CO 0.06 0.23 0.15 0.58 0.37 0.00 0.00 175.52 176.92 3hak h VAL 189 N 0.16 0.88 -0.67 3.16 2.07 -0.69 0.14 116.25 121.30 3hak h VAL 189 Ca 0.07 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3hak h VAL 189 Cb 0.32 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3hak h VAL 189 CO 0.00 0.06 0.37 0.74 0.02 0.00 0.00 177.57 178.76 3hak h THR 190 N 0.32 1.20 -0.04 2.57 2.02 -0.97 -2.86 112.91 115.14 3hak h THR 190 Ca 0.19 -0.49 -0.23 0.00 0.77 0.00 0.00 66.41 66.65 3hak h THR 190 Cb 0.17 0.29 0.02 0.00 -1.74 0.00 0.00 68.15 66.89 3hak h THR 190 CO -0.19 0.22 -0.88 0.74 0.37 0.00 0.00 175.52 175.78 3hak h THR 191 N 0.93 1.30 -0.93 3.16 2.02 -0.20 -3.01 112.91 116.19 3hak h THR 191 Ca 0.24 -2.13 0.12 0.00 0.77 0.00 0.00 66.41 65.41 3hak h THR 191 Cb 0.02 2.31 -0.08 0.00 -1.74 0.00 0.00 68.15 68.65 3hak h THR 191 CO -0.04 0.66 0.56 0.74 0.37 0.00 0.00 175.52 177.80 3hak h THR 192 N 0.34 0.87 0.00 3.16 2.02 -0.72 -0.69 112.91 117.89 3hak h THR 192 Ca -0.10 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3hak h THR 192 Cb 1.54 -0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 3hak h THR 192 CO 0.18 0.16 -0.01 0.74 0.37 0.00 0.00 175.52 176.96 3hak h THR 193 N 0.86 0.07 -0.47 3.16 2.02 -1.36 -0.18 112.91 117.01 3hak h THR 193 Ca 0.47 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.55 3hak h THR 193 Cb 0.52 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3hak h THR 193 CO -0.29 0.01 0.00 0.29 0.37 0.00 0.00 175.52 175.90 3hak n LYS 194 N -3.17 2.76 -1.10 6.66 5.02 -0.29 -4.90 118.16 123.14 3hak n LYS 194 Ca -0.02 -1.98 -0.04 0.00 -2.02 0.00 0.00 58.31 54.25 3hak n LYS 194 Cb 0.11 -1.64 -0.02 0.00 -0.02 0.00 0.00 35.03 33.47 3hak n LYS 194 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hak n GLY 195 N 0.99 0.66 3.65 0.72 0.00 -0.08 -5.03 105.19 106.09 3hak n GLY 195 Ca 0.18 -0.76 -0.25 0.00 0.00 0.00 0.00 46.02 45.18 3hak n GLY 195 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hak s GLU 196 N -2.09 2.08 0.01 1.61 2.02 -1.05 -5.02 118.70 116.26 3hak s GLU 196 Ca 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.16 3hak s GLU 196 Cb 0.00 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.33 3hak s GLU 196 CO 0.00 0.06 -0.02 1.21 0.02 0.00 0.00 175.26 176.53 3hak s ASN 197 N -3.75 0.23 -0.13 -0.19 2.47 -1.26 -3.54 114.94 108.77 3hak s ASN 197 Ca 0.36 -0.23 -0.04 0.00 0.42 0.00 0.00 52.86 53.37 3hak s ASN 197 Cb 0.02 0.03 -0.03 0.00 -1.45 0.00 0.00 41.25 39.82 3hak s ASN 197 CO 0.20 -0.11 0.02 -0.36 -3.72 0.00 0.00 177.10 173.12 3hak s PHE 198 N -0.64 3.18 0.83 0.43 0.40 -1.26 -5.09 117.98 115.83 3hak s PHE 198 Ca -0.06 0.06 -0.12 0.00 -0.60 0.00 0.00 56.93 56.21 3hak s PHE 198 Cb -0.05 -1.93 0.10 0.00 0.51 0.00 0.00 43.02 41.66 3hak s PHE 198 CO -0.00 0.27 1.19 0.95 0.70 0.00 0.00 175.22 178.32 3hak s THR 199 N -0.21 2.03 0.35 0.64 -4.23 -1.26 -4.87 115.64 108.09 3hak s THR 199 Ca 0.06 -0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.59 3hak s THR 199 Cb -0.12 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 71.02 3hak s THR 199 CO 0.02 0.00 1.93 -0.33 -0.54 0.00 0.00 174.62 175.70 3hak h GLU 200 N -1.11 0.74 -0.46 3.99 5.08 -1.99 -1.05 114.58 119.78 3hak h GLU 200 Ca -0.45 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 3hak h GLU 200 Cb 1.31 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 3hak h GLU 200 CO 0.60 0.49 0.09 1.15 -1.00 0.00 0.00 179.01 180.34 3hak h THR 201 N 0.77 1.24 -0.83 1.13 2.02 -1.99 -1.42 112.91 113.82 3hak h THR 201 Ca 0.35 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 3hak h THR 201 Cb 0.37 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3hak h THR 201 CO -0.13 0.30 0.49 0.44 0.37 0.00 0.00 175.52 176.99 3hak h ASP 202 N 0.62 1.02 -0.43 4.18 3.32 -1.66 -0.62 116.42 122.85 3hak h ASP 202 Ca 0.14 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3hak h ASP 202 Cb 0.35 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3hak h ASP 202 CO 0.01 0.80 -0.08 0.58 -1.72 0.00 0.00 179.24 178.83 3hak h VAL 203 N 1.15 1.27 -0.60 -1.35 2.07 -0.95 0.40 116.25 118.24 3hak h VAL 203 Ca 0.30 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.67 3hak h VAL 203 Cb -0.02 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3hak h VAL 203 CO -0.05 0.40 0.38 0.11 0.02 0.00 0.00 177.57 178.42 3hak h LYS 204 N 0.64 0.73 -0.46 1.57 1.57 -1.06 0.26 116.57 119.82 3hak h LYS 204 Ca 0.11 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3hak h LYS 204 Cb 0.60 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3hak h LYS 204 CO 0.04 0.49 0.29 0.52 -0.57 0.00 0.00 179.45 180.21 3hak h MET 205 N 0.76 0.62 -0.51 3.15 2.86 -0.80 -2.70 114.93 118.30 3hak h MET 205 Ca 0.23 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.74 3hak h MET 205 Cb -0.02 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.49 3hak h MET 205 CO -0.08 0.43 -0.02 0.52 1.06 0.00 0.00 176.91 178.82 3hak h MET 206 N 0.62 0.88 -0.85 1.72 2.86 -0.48 -2.33 114.93 117.34 3hak h MET 206 Ca 0.17 -0.26 0.06 0.00 -2.06 0.00 0.00 59.70 57.61 3hak h MET 206 Cb -0.03 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.47 3hak h MET 206 CO -0.03 0.89 0.53 0.93 1.06 0.00 0.00 176.91 180.28 3hak h GLU 207 N 0.81 0.93 0.39 1.72 5.08 -0.31 0.32 114.58 123.53 3hak h GLU 207 Ca 0.15 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 3hak h GLU 207 Cb 0.51 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3hak h GLU 207 CO 0.03 0.62 -0.19 0.00 -1.00 0.00 0.00 179.01 178.47 3hak h ARG 208 N 0.96 -0.50 -0.32 2.33 2.47 -1.13 -1.12 114.38 117.07 3hak h ARG 208 Ca 0.37 0.03 -0.13 0.00 -1.26 0.00 0.00 59.98 58.99 3hak h ARG 208 Cb 0.18 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.61 3hak h ARG 208 CO -0.18 -0.22 -0.32 -0.24 0.56 0.00 0.00 179.97 179.57 3hak h VAL 209 N -0.77 1.29 -0.42 2.04 3.04 -1.26 -2.64 116.25 117.53 3hak h VAL 209 Ca -0.05 -1.49 -0.07 0.00 -1.01 0.00 0.00 66.70 64.07 3hak h VAL 209 Cb 0.52 1.52 -0.02 0.00 -2.01 0.00 0.00 31.29 31.30 3hak h VAL 209 CO 0.09 0.49 -0.04 0.58 -1.01 0.00 0.00 177.57 177.67 3hak h VAL 210 N 0.56 1.24 -0.52 1.51 2.07 -0.44 -0.26 116.25 120.41 3hak h VAL 210 Ca 0.05 -1.02 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3hak h VAL 210 Cb 0.90 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3hak h VAL 210 CO 0.08 0.35 0.34 -0.08 0.02 0.00 0.00 177.57 178.28 3hak h GLU 211 N 0.65 0.69 -0.49 1.57 4.81 -1.08 0.16 114.58 120.90 3hak h GLU 211 Ca 0.13 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3hak h GLU 211 Cb 0.47 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 3hak h GLU 211 CO 0.02 0.46 0.17 0.37 -0.73 0.00 0.00 179.01 179.31 3hak h GLN 212 N 0.71 0.74 -0.54 1.92 4.15 -1.04 -1.57 115.11 119.48 3hak h GLN 212 Ca 0.19 -0.15 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3hak h GLN 212 Cb -0.07 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.48 3hak h GLN 212 CO -0.04 0.69 0.21 0.52 -1.93 0.00 0.00 178.83 178.27 3hak h MET 213 N 0.65 0.79 -0.32 1.69 2.86 -0.69 -1.02 114.93 118.89 3hak h MET 213 Ca 0.16 -0.12 -0.09 0.00 -2.06 0.00 0.00 59.70 57.59 3hak h MET 213 Cb 0.24 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3hak h MET 213 CO -0.01 0.66 -0.18 0.00 1.06 0.00 0.00 176.91 178.44 3hak h ILE 215 N 0.53 1.27 -0.52 0.00 2.04 -0.87 -0.62 117.51 119.35 3hak h ILE 215 Ca 0.09 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.51 3hak h ILE 215 Cb 0.61 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 3hak h ILE 215 CO 0.04 0.49 0.33 0.74 0.00 0.00 0.00 178.15 179.75 3hak h THR 216 N 0.79 1.15 -0.41 -0.27 2.02 -0.91 0.13 112.91 115.41 3hak h THR 216 Ca 0.09 -0.30 0.02 0.00 0.77 0.00 0.00 66.41 66.99 3hak h THR 216 Cb 0.86 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3hak h THR 216 CO 0.08 0.15 0.24 -0.61 0.37 0.00 0.00 175.52 175.74 3hak h GLN 217 N 0.70 0.48 -0.41 6.66 5.75 -0.82 0.36 115.11 127.82 3hak h GLN 217 Ca 0.19 -0.03 0.02 0.00 -0.15 0.00 0.00 58.65 58.68 3hak h GLN 217 Cb -0.05 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.37 3hak h GLN 217 CO -0.04 0.32 0.23 -0.92 -2.65 0.00 0.00 178.83 175.77 3hak h TYR 218 N 0.49 0.43 -0.30 3.99 3.20 -0.52 0.28 116.97 124.55 3hak h TYR 218 Ca 0.16 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.97 3hak h TYR 218 Cb 0.01 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3hak h TYR 218 CO -0.07 0.25 -0.15 0.93 -1.64 0.00 0.00 178.16 177.48 3hak h GLU 219 N 0.47 0.52 -0.36 1.82 5.08 -0.35 0.22 114.58 121.99 3hak h GLU 219 Ca 0.16 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 3hak h GLU 219 Cb 0.02 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hak h GLU 219 CO -0.08 0.66 -0.10 0.00 -1.00 0.00 0.00 179.01 178.49 3hak h ARG 220 N 0.48 0.70 -0.53 2.33 3.08 -0.54 -0.17 114.38 119.72 3hak h ARG 220 Ca 0.08 -0.27 0.07 0.00 0.07 0.00 0.00 59.98 59.93 3hak h ARG 220 Cb 0.54 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 3hak h ARG 220 CO 0.03 0.86 0.22 0.93 -1.07 0.00 0.00 179.97 180.94 3hak h GLU 221 N 0.49 0.40 -0.19 0.04 4.39 -0.35 -1.55 114.58 117.81 3hak h GLU 221 Ca 0.09 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 3hak h GLU 221 Cb 0.61 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 3hak h GLU 221 CO 0.04 0.27 0.07 1.03 -1.16 0.00 0.00 179.01 179.25 3hak h SER 222 N 0.42 0.28 -0.72 1.42 0.87 -0.45 -0.75 113.55 114.61 3hak h SER 222 Ca 0.25 -0.19 0.07 0.00 -1.23 0.00 0.00 61.79 60.69 3hak h SER 222 Cb 0.25 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.08 3hak h SER 222 CO -0.23 0.39 0.40 1.56 -0.53 0.00 0.00 176.83 178.42 3hak h GLN 223 N 0.15 0.71 -0.63 2.24 4.20 -0.85 -1.32 115.11 119.61 3hak h GLN 223 Ca 0.06 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.67 3hak h GLN 223 Cb 0.21 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 3hak h GLN 223 CO -0.00 0.47 0.15 0.00 -0.67 0.00 0.00 178.83 178.78 3hak h ALA 224 N 1.38 0.83 -0.34 3.87 0.00 -1.12 -1.76 119.26 122.12 3hak h ALA 224 Ca 0.33 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3hak h ALA 224 Cb 0.22 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hak h ALA 224 CO -0.20 0.55 -0.16 -0.92 0.00 0.00 0.00 179.25 178.52 3hak h TYR 225 N 0.93 0.66 -0.01 0.00 3.20 -0.21 -2.88 116.97 118.67 3hak h TYR 225 Ca 0.20 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3hak h TYR 225 Cb 0.36 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3hak h TYR 225 CO 0.03 0.73 -0.47 0.66 -1.64 0.00 0.00 178.16 177.47 3hak n TYR 226 N -4.16 0.00 1.43 -3.82 4.02 -0.59 -5.10 117.16 108.94 3hak n TYR 226 Ca 0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.03 3hak n TYR 226 Cb 0.36 -0.04 0.47 0.00 -0.02 0.00 0.00 39.34 40.11 3hak n TYR 226 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85