#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjx n GLY 127 N 0.00 3.48 3.72 -0.02 0.00 -1.26 -4.99 105.19 106.12 3hjx n GLY 127 Ca 0.00 -1.90 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 3hjx n GLY 127 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hjx s TYR 128 N 1.99 3.00 0.22 1.61 -0.85 -1.26 -3.93 117.35 118.12 3hjx s TYR 128 Ca 0.45 -0.06 0.07 0.00 -0.52 0.00 0.00 57.07 57.00 3hjx s TYR 128 Cb 0.01 -1.46 -0.05 0.00 0.38 0.00 0.00 41.96 40.84 3hjx s TYR 128 CO 0.01 0.51 -0.12 0.14 -1.52 0.00 0.00 175.55 174.58 3hjx s VAL 129 N -1.66 1.66 -0.15 -3.49 -7.23 0.18 -4.93 120.40 104.79 3hjx s VAL 129 Ca 0.29 -2.18 -0.23 0.00 -1.81 0.00 0.00 61.98 58.04 3hjx s VAL 129 Cb -0.10 -2.15 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 3hjx s VAL 129 CO 0.20 -0.52 0.74 -0.22 -0.31 0.00 0.00 175.10 175.00 3hjx s LEU 130 N -3.34 4.20 0.77 1.32 2.96 -1.26 -1.54 118.68 121.78 3hjx s LEU 130 Ca 0.24 1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 55.11 3hjx s LEU 130 Cb 0.01 -3.09 0.07 0.00 0.50 0.00 0.00 46.19 43.68 3hjx s LEU 130 CO 0.08 -0.29 1.13 -0.83 -1.32 0.00 0.00 176.35 175.11 3hjx s GLY 131 N 1.09 1.61 0.61 7.98 0.00 0.16 -5.01 107.32 113.77 3hjx s GLY 131 Ca 0.35 -0.68 -0.16 0.00 0.00 0.00 0.00 44.72 44.24 3hjx s GLY 131 CO 0.13 -0.22 1.08 -0.56 0.00 0.00 0.00 173.10 173.52 3hjx s SER 132 N -4.54 5.55 0.62 1.64 0.01 -1.26 -4.52 113.70 111.20 3hjx s SER 132 Ca 0.61 1.88 -0.19 0.00 1.31 0.00 0.00 55.95 59.57 3hjx s SER 132 Cb -0.11 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 3hjx s SER 132 CO 0.48 -1.32 1.22 0.00 0.41 0.00 0.00 173.24 174.02 3hjx n ALA 133 N -2.15 0.96 -2.30 1.44 0.00 -1.26 -4.66 120.51 112.54 3hjx n ALA 133 Ca 0.09 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.48 3hjx n ALA 133 Cb 0.52 -2.27 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 3hjx n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hjx s MET 134 N -3.11 0.74 0.24 0.00 0.23 0.15 -4.97 119.30 112.57 3hjx s MET 134 Ca 0.79 -1.13 -0.31 0.00 -1.03 0.00 0.00 55.69 54.00 3hjx s MET 134 Cb -0.40 0.27 -0.12 0.00 -1.53 0.00 0.00 34.83 33.05 3hjx s MET 134 CO 0.44 -0.19 1.64 0.45 -2.03 0.00 0.00 175.02 175.33 3hjx n SER 135 N 0.02 3.77 -4.72 -1.18 2.88 -1.26 -4.82 113.62 108.32 3hjx n SER 135 Ca -0.14 1.10 -0.42 0.00 -1.33 0.00 0.00 58.87 58.09 3hjx n SER 135 Cb 0.62 -1.56 -0.03 0.00 -0.75 0.00 0.00 64.21 62.49 3hjx n SER 135 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3hjx s ARG 136 N 0.40 4.43 0.60 -1.46 0.52 -1.26 -5.00 118.95 117.18 3hjx s ARG 136 Ca 0.71 1.84 -0.14 0.00 -0.52 0.00 0.00 55.73 57.62 3hjx s ARG 136 Cb -0.53 -3.31 -0.04 0.00 0.52 0.00 0.00 34.95 31.60 3hjx s ARG 136 CO 0.40 -0.25 1.03 -1.25 0.02 0.00 0.00 175.30 175.26 3hjx s PRO 137 N 0.77 3.47 -0.18 3.54 0.04 -1.26 -5.00 135.00 136.37 3hjx s PRO 137 Ca 0.58 1.00 -0.23 0.00 0.04 0.00 0.00 61.00 62.40 3hjx s PRO 137 Cb -0.31 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 3hjx s PRO 137 CO 0.31 -0.67 0.72 0.42 0.04 0.00 0.00 177.00 177.82 3hjx s ILE 138 N -2.75 4.96 -0.08 0.56 -1.09 -1.26 -4.99 121.20 116.54 3hjx s ILE 138 Ca 0.60 1.39 -0.07 0.00 -2.23 0.00 0.00 60.65 60.33 3hjx s ILE 138 Cb -0.13 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 3hjx s ILE 138 CO 0.42 0.07 0.18 -0.63 -1.23 0.00 0.00 174.94 173.75 3hjx s ILE 139 N 2.01 5.44 -0.00 2.92 -1.09 -1.26 -5.10 121.20 124.11 3hjx s ILE 139 Ca 0.33 0.22 0.04 0.00 -2.23 0.00 0.00 60.65 59.00 3hjx s ILE 139 Cb -0.16 -3.46 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 3hjx s ILE 139 CO 0.11 0.56 -0.09 -1.00 -1.23 0.00 0.00 174.94 173.29 3hjx s HIS 140 N -1.10 2.82 0.08 3.97 3.76 -1.26 -4.86 115.29 118.70 3hjx s HIS 140 Ca 0.19 -0.08 0.06 0.00 -0.15 0.00 0.00 55.06 55.08 3hjx s HIS 140 Cb -0.13 -1.60 -0.03 0.00 1.11 0.00 0.00 32.58 31.94 3hjx s HIS 140 CO 0.08 0.33 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.07 3hjx s PHE 141 N -0.94 1.47 0.17 1.40 0.08 -1.26 -5.02 117.98 113.87 3hjx s PHE 141 Ca 0.16 -0.43 -0.07 0.00 0.12 0.00 0.00 56.93 56.71 3hjx s PHE 141 Cb -0.11 -0.83 0.04 0.00 -0.57 0.00 0.00 43.02 41.56 3hjx s PHE 141 CO 0.06 0.11 1.49 0.78 -0.10 0.00 0.00 175.22 177.57 3hjx h GLY 142 N 4.33 0.82 -4.72 4.36 0.00 -2.00 -3.42 103.07 102.44 3hjx h GLY 142 Ca -0.43 -0.89 -0.54 0.00 0.00 0.00 0.00 47.33 45.48 3hjx h GLY 142 CO 0.41 0.80 0.75 -0.45 0.00 0.00 0.00 176.54 178.05 3hjx s SER 143 N -6.89 6.90 0.26 0.19 0.15 -1.26 -4.91 113.70 108.14 3hjx s SER 143 Ca -0.09 2.11 -0.04 0.00 0.70 0.00 0.00 55.95 58.63 3hjx s SER 143 Cb 0.11 -2.57 0.32 0.00 -1.71 0.00 0.00 66.02 62.17 3hjx s SER 143 CO 0.86 -0.65 1.88 0.44 1.20 0.00 0.00 173.24 176.97 3hjx h ASP 144 N 7.41 1.00 0.38 5.45 3.45 -2.00 -1.50 116.42 130.61 3hjx h ASP 144 Ca -0.39 -0.09 -0.02 0.00 0.43 0.00 0.00 57.03 56.96 3hjx h ASP 144 Cb 1.19 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3hjx h ASP 144 CO 0.88 0.81 -0.18 0.22 -1.57 0.00 0.00 179.24 179.40 3hjx h TYR 145 N 1.11 -0.48 -0.62 4.55 3.20 -1.96 -2.14 116.97 120.64 3hjx h TYR 145 Ca 0.28 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.10 3hjx h TYR 145 Cb 0.06 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.46 3hjx h TYR 145 CO 0.01 -0.29 0.24 0.93 -1.64 0.00 0.00 178.16 177.42 3hjx h GLU 146 N -0.53 0.94 -0.55 1.82 5.08 -1.91 0.22 114.58 119.65 3hjx h GLU 146 Ca -0.05 -0.17 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3hjx h GLU 146 Cb 0.40 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.45 3hjx h GLU 146 CO 0.09 0.80 0.23 0.22 -1.00 0.00 0.00 179.01 179.34 3hjx h ASP 147 N 0.87 0.28 0.03 1.42 1.82 -1.20 0.16 116.42 119.80 3hjx h ASP 147 Ca 0.21 0.05 -0.24 0.00 -0.39 0.00 0.00 57.03 56.66 3hjx h ASP 147 Cb 0.21 0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.25 3hjx h ASP 147 CO -0.02 0.18 -0.92 -0.09 -1.61 0.00 0.00 179.24 176.78 3hjx h ARG 148 N 0.44 0.66 -0.62 0.28 2.43 -1.26 -3.06 114.38 113.25 3hjx h ARG 148 Ca 0.26 -0.64 0.08 0.00 -0.81 0.00 0.00 59.98 58.87 3hjx h ARG 148 Cb 0.25 0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 29.90 3hjx h ARG 148 CO -0.23 1.24 0.29 -0.92 -1.51 0.00 0.00 179.97 178.84 3hjx h TYR 149 N 0.40 0.52 0.05 2.20 3.20 0.09 -0.53 116.97 122.91 3hjx h TYR 149 Ca -0.09 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.81 3hjx h TYR 149 Cb 1.56 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 3hjx h TYR 149 CO 0.09 0.19 -0.07 -0.92 -1.64 0.00 0.00 178.16 175.81 3hjx h TYR 150 N 0.52 -0.18 -0.96 -3.82 3.20 -0.71 0.03 116.97 115.05 3hjx h TYR 150 Ca 0.30 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.28 3hjx h TYR 150 Cb 0.29 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 3hjx h TYR 150 CO -0.12 -0.11 0.61 0.00 -1.64 0.00 0.00 178.16 176.90 3hjx h ARG 151 N -0.15 0.93 0.00 1.82 3.08 -1.37 0.19 114.38 118.88 3hjx h ARG 151 Ca 0.01 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 3hjx h ARG 151 Cb 0.15 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.99 3hjx h ARG 151 CO -0.03 0.62 -0.31 0.93 -1.07 0.00 0.00 179.97 180.11 3hjx h GLU 152 N 0.96 0.00 -0.20 0.04 5.08 -0.55 -3.35 114.58 116.56 3hjx h GLU 152 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 3hjx h GLU 152 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3hjx h GLU 152 CO -0.22 0.06 0.00 0.09 -1.00 0.00 0.00 179.01 177.95 3hjx n ASN 153 N -3.02 2.51 0.26 1.42 3.02 -0.05 -4.74 115.26 114.66 3hjx n ASN 153 Ca 0.03 -1.97 0.13 0.00 -0.03 0.00 0.00 54.58 52.74 3hjx n ASN 153 Cb 0.57 -0.13 0.72 0.00 -0.61 0.00 0.00 39.78 40.32 3hjx n ASN 153 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hjx h MET 154 N 1.21 0.00 0.00 3.52 -0.00 -1.12 -0.63 114.93 117.90 3hjx h MET 154 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hjx h MET 154 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.22 3hjx h MET 154 CO 0.00 0.12 0.00 1.12 -0.00 0.00 0.00 176.91 178.15 3hjx h HIS 155 N 0.00 0.00 0.00 -0.10 2.07 -1.86 -2.12 115.15 113.14 3hjx h HIS 155 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3hjx h HIS 155 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 3hjx h HIS 155 CO 0.00 0.00 0.00 0.54 -3.07 0.00 0.00 177.93 175.40 3hjx n ARG 156 N -2.96 0.42 -3.77 5.12 1.74 -0.24 -4.88 116.66 112.09 3hjx n ARG 156 Ca -0.01 0.04 -0.21 0.00 -0.77 0.00 0.00 57.85 56.89 3hjx n ARG 156 Cb 0.15 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.05 3hjx n ARG 156 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3hjx s TYR 157 N -2.51 2.78 0.75 -1.55 4.12 -0.80 -5.09 117.35 115.05 3hjx s TYR 157 Ca 0.26 -0.41 -0.15 0.00 0.02 0.00 0.00 57.07 56.80 3hjx s TYR 157 Cb 0.18 -1.94 0.05 0.00 -1.52 0.00 0.00 41.96 38.73 3hjx s TYR 157 CO 0.39 0.08 1.22 -2.14 0.02 0.00 0.00 175.55 175.12 3hjx s PRO 158 N -4.02 1.98 -0.10 -1.71 0.02 -1.26 -4.95 135.00 124.95 3hjx s PRO 158 Ca 0.43 1.82 0.14 0.00 0.02 0.00 0.00 61.00 63.41 3hjx s PRO 158 Cb -0.04 -1.81 0.28 0.00 0.02 0.00 0.00 34.50 32.96 3hjx s PRO 158 CO 0.26 -1.97 1.14 0.27 -0.33 0.00 0.00 177.00 176.37 3hjx n ASN 159 N -2.83 1.48 -3.91 2.53 6.94 -1.26 -4.93 115.26 113.27 3hjx n ASN 159 Ca 0.14 -2.91 -0.09 0.00 -0.02 0.00 0.00 54.58 51.69 3hjx n ASN 159 Cb 0.50 -0.39 -0.07 0.00 -2.36 0.00 0.00 39.78 37.47 3hjx n ASN 159 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hjx s GLN 160 N -1.93 1.14 0.12 -3.83 -2.07 -1.26 0.31 119.66 112.14 3hjx s GLN 160 Ca 0.27 -1.10 0.03 0.00 -1.82 0.00 0.00 55.36 52.75 3hjx s GLN 160 Cb 0.26 0.39 -0.04 0.00 -1.09 0.00 0.00 33.01 32.53 3hjx s GLN 160 CO -0.03 -0.42 -0.09 0.14 -1.32 0.00 0.00 175.29 173.56 3hjx s VAL 161 N -3.94 0.95 -0.14 3.63 -7.23 -1.26 -4.97 120.40 107.44 3hjx s VAL 161 Ca 0.14 -1.89 -0.12 0.00 -1.81 0.00 0.00 61.98 58.30 3hjx s VAL 161 Cb 0.03 -1.64 -0.05 0.00 0.56 0.00 0.00 36.38 35.28 3hjx s VAL 161 CO -0.02 -0.73 0.24 -0.31 -0.31 0.00 0.00 175.10 173.97 3hjx s TYR 162 N -3.15 3.52 0.30 2.82 1.51 -1.26 -0.66 117.35 120.43 3hjx s TYR 162 Ca 0.12 0.58 -0.01 0.00 -1.01 0.00 0.00 57.07 56.75 3hjx s TYR 162 Cb 0.02 -2.21 0.01 0.00 -0.11 0.00 0.00 41.96 39.66 3hjx s TYR 162 CO -0.01 0.42 0.42 2.48 -1.11 0.00 0.00 175.55 177.74 3hjx n TYR 163 N 2.97 -1.29 -3.80 2.71 0.18 -0.59 -4.34 117.16 112.99 3hjx n TYR 163 Ca -0.15 -2.03 -0.36 0.00 1.88 0.00 0.00 57.90 57.24 3hjx n TYR 163 Cb 0.53 0.47 -0.13 0.00 -0.38 0.00 0.00 39.34 39.83 3hjx n TYR 163 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 3hjx s ARG 164 N -2.70 3.19 0.27 -3.48 0.52 -1.26 0.50 118.95 115.99 3hjx s ARG 164 Ca 0.25 -0.78 -0.01 0.00 -0.52 0.00 0.00 55.73 54.67 3hjx s ARG 164 Cb -0.01 -3.26 0.47 0.00 0.52 0.00 0.00 34.95 32.67 3hjx s ARG 164 CO 0.18 -0.36 1.86 -1.35 0.02 0.00 0.00 175.30 175.65 3hjx h PRO 165 N 8.19 1.06 -0.73 3.54 0.11 -1.95 -0.87 132.00 141.35 3hjx h PRO 165 Ca -0.34 -0.06 0.07 0.00 0.11 0.00 0.00 66.00 65.78 3hjx h PRO 165 Cb 1.14 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.96 3hjx h PRO 165 CO 0.60 0.70 0.48 0.52 -0.21 0.00 0.00 178.00 180.09 3hjx h MET 166 N 1.09 0.70 -2.87 1.05 2.86 -1.94 -2.63 114.93 113.20 3hjx h MET 166 Ca 0.46 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.06 3hjx h MET 166 Cb 0.31 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.81 3hjx h MET 166 CO -0.21 0.47 0.33 -0.25 1.06 0.00 0.00 176.91 178.30 3hjx n ASP 167 N -4.49 0.00 -4.36 1.22 10.43 -0.33 -4.60 116.55 114.43 3hjx n ASP 167 Ca 0.11 -1.09 -0.21 0.00 2.57 0.00 0.00 54.79 56.17 3hjx n ASP 167 Cb 0.26 0.00 -0.11 0.00 1.84 0.00 0.00 41.12 43.12 3hjx n ASP 167 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 3hjx s GLU 168 N 2.19 1.36 0.00 -1.24 0.41 -0.99 -3.72 118.70 116.69 3hjx s GLU 168 Ca 0.00 -1.54 0.00 0.00 -0.41 0.00 0.00 54.97 53.02 3hjx s GLU 168 Cb 0.00 -1.31 0.00 0.00 -1.78 0.00 0.00 34.13 31.04 3hjx s GLU 168 CO 0.00 0.24 0.00 0.98 -0.49 0.00 0.00 175.26 175.99 3hjx n TYR 169 N -0.12 0.00 -4.04 1.61 4.19 -1.26 -5.00 117.16 112.54 3hjx n TYR 169 Ca -0.10 0.00 -0.22 0.00 3.31 0.00 0.00 57.90 60.90 3hjx n TYR 169 Cb 0.59 0.00 -0.04 0.00 0.49 0.00 0.00 39.34 40.38 3hjx n TYR 169 CO 0.00 0.00 0.00 -1.54 0.91 0.00 0.00 176.86 176.23 3hjx s SER 170 N 0.00 5.55 0.75 2.98 1.04 -1.24 -5.11 113.70 117.67 3hjx s SER 170 Ca 0.00 -0.26 -0.11 0.00 0.48 0.00 0.00 55.95 56.06 3hjx s SER 170 Cb 0.00 -1.37 0.05 0.00 0.10 0.00 0.00 66.02 64.80 3hjx s SER 170 CO 0.00 -0.10 1.09 0.54 0.98 0.00 0.00 173.24 175.75 3hjx s ASN 171 N -3.88 4.69 0.25 7.02 2.20 -1.26 -4.87 114.94 119.08 3hjx s ASN 171 Ca 0.34 1.79 -0.06 0.00 -0.94 0.00 0.00 52.86 54.00 3hjx s ASN 171 Cb -0.08 -2.52 0.29 0.00 -2.00 0.00 0.00 41.25 36.95 3hjx s ASN 171 CO 0.26 -1.91 1.90 -0.61 -2.94 0.00 0.00 177.10 173.79 3hjx h GLN 172 N -1.00 1.16 -0.09 3.55 4.15 -1.99 -2.61 115.11 118.28 3hjx h GLN 172 Ca -0.44 -0.07 -0.11 0.00 0.77 0.00 0.00 58.65 58.80 3hjx h GLN 172 Cb 1.23 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.64 3hjx h GLN 172 CO 0.52 0.77 -0.44 -0.91 -1.93 0.00 0.00 178.83 176.84 3hjx h ASN 173 N 1.20 0.22 -0.20 -0.69 2.35 -1.99 -0.92 115.58 115.55 3hjx h ASN 173 Ca 0.37 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.98 3hjx h ASN 173 Cb -0.02 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3hjx h ASN 173 CO -0.11 0.64 -0.03 -1.13 -1.65 0.00 0.00 177.43 175.14 3hjx h ASN 174 N 0.17 0.37 -0.08 5.81 -1.24 -1.88 0.15 115.58 118.88 3hjx h ASN 174 Ca 0.01 -0.35 0.01 0.00 0.71 0.00 0.00 56.30 56.68 3hjx h ASN 174 Cb 0.85 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 39.79 3hjx h ASN 174 CO 0.07 0.63 0.02 0.15 -1.29 0.00 0.00 177.43 177.01 3hjx h PHE 175 N 0.10 0.04 -0.19 0.67 3.57 -1.23 -1.96 116.94 117.93 3hjx h PHE 175 Ca 0.05 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3hjx h PHE 175 Cb 0.46 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 3hjx h PHE 175 CO 0.05 0.02 -0.09 0.28 -2.23 0.00 0.00 178.31 176.33 3hjx h VAL 176 N 0.06 1.31 -0.71 1.41 2.07 -1.17 0.59 116.25 119.80 3hjx h VAL 176 Ca 0.03 -1.15 0.08 0.00 0.82 0.00 0.00 66.70 66.48 3hjx h VAL 176 Cb 0.02 1.65 -0.11 0.00 -1.52 0.00 0.00 31.29 31.34 3hjx h VAL 176 CO -0.04 0.35 -0.55 -0.74 0.02 0.00 0.00 177.57 176.61 3hjx h HIS 177 N 0.10 -1.71 -0.21 1.57 -0.00 -0.60 -0.27 115.15 114.03 3hjx h HIS 177 Ca 0.04 0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 3hjx h HIS 177 Cb 0.58 0.84 -0.01 0.00 -0.00 0.00 0.00 27.41 28.82 3hjx h HIS 177 CO 0.06 -0.43 0.14 -0.91 -0.00 0.00 0.00 177.93 176.80 3hjx h ASN 178 N -0.19 0.25 -0.84 3.26 2.35 -1.24 -2.47 115.58 116.70 3hjx h ASN 178 Ca 0.14 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.96 3hjx h ASN 178 Cb 0.51 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.75 3hjx h ASN 178 CO -0.77 0.19 0.50 0.00 -1.65 0.00 0.00 177.43 175.69 3hjx h VAL 180 N 0.86 1.30 0.13 0.00 2.07 -0.96 -0.76 116.25 118.89 3hjx h VAL 180 Ca 0.39 -1.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3hjx h VAL 180 Cb 0.30 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3hjx h VAL 180 CO -0.22 0.36 -0.06 0.78 0.02 0.00 0.00 177.57 178.45 3hjx h ASN 181 N 0.17 -0.14 -0.49 0.57 -0.26 -1.08 -1.48 115.58 112.87 3hjx h ASN 181 Ca 0.05 -0.09 -0.11 0.00 -0.56 0.00 0.00 56.30 55.59 3hjx h ASN 181 Cb 0.60 0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 3hjx h ASN 181 CO 0.03 -0.00 -0.13 0.40 -1.06 0.00 0.00 177.43 176.67 3hjx h ILE 182 N -0.28 1.27 -0.33 2.81 2.04 -1.22 -1.55 117.51 120.26 3hjx h ILE 182 Ca -0.02 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.55 3hjx h ILE 182 Cb 0.23 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3hjx h ILE 182 CO 0.03 0.44 0.16 0.74 0.00 0.00 0.00 178.15 179.53 3hjx h THR 183 N 0.81 1.15 -0.43 -0.27 2.02 -1.08 -0.66 112.91 114.45 3hjx h THR 183 Ca 0.12 -0.43 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 3hjx h THR 183 Cb 0.70 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 3hjx h THR 183 CO 0.05 0.16 -0.17 0.40 0.37 0.00 0.00 175.52 176.33 3hjx h ILE 184 N 0.40 1.28 -0.68 3.11 2.04 -1.21 -2.60 117.51 119.83 3hjx h ILE 184 Ca 0.11 -1.30 0.10 0.00 1.00 0.00 0.00 64.86 64.78 3hjx h ILE 184 Cb 0.10 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.32 3hjx h ILE 184 CO -0.02 0.44 0.30 0.11 0.00 0.00 0.00 178.15 178.98 3hjx h LYS 185 N 0.70 0.48 -0.88 2.37 1.57 -1.16 -2.09 116.57 117.56 3hjx h LYS 185 Ca 0.10 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3hjx h LYS 185 Cb 0.72 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 3hjx h LYS 185 CO 0.05 0.32 0.54 1.96 -0.57 0.00 0.00 179.45 181.75 3hjx h GLN 186 N 0.50 1.19 0.00 3.15 1.08 -0.90 -2.52 115.11 117.61 3hjx h GLN 186 Ca 0.35 -0.10 -0.07 0.00 -1.45 0.00 0.00 58.65 57.37 3hjx h GLN 186 Cb 0.43 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.60 3hjx h GLN 186 CO -0.31 0.83 -0.36 0.45 -0.95 0.00 0.00 178.83 178.49 3hjx h HIS 187 N 1.21 0.00 0.44 2.96 3.86 -1.07 -0.02 115.15 122.52 3hjx h HIS 187 Ca 0.32 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.51 3hjx h HIS 187 Cb -0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.41 3hjx h HIS 187 CO -0.00 0.36 -0.21 1.15 0.86 0.00 0.00 177.93 180.08 3hjx h THR 188 N 0.00 0.00 -0.04 2.45 2.02 -0.98 -2.64 112.91 113.72 3hjx h THR 188 Ca -0.00 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.00 3hjx h THR 188 Cb 0.80 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3hjx h THR 188 CO 0.05 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.32 3hjx h VAL 189 N -0.78 0.00 -1.12 3.16 2.07 -1.47 -2.86 116.25 115.26 3hjx h VAL 189 Ca -0.06 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.77 3hjx h VAL 189 Cb 0.45 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.13 3hjx h VAL 189 CO 0.10 0.00 0.74 0.74 0.02 0.00 0.00 177.57 179.17 3hjx h THR 190 N -0.22 0.44 -0.48 2.57 2.02 -1.12 -3.06 112.91 113.05 3hjx h THR 190 Ca 0.01 -0.09 -0.58 0.00 0.77 0.00 0.00 66.41 66.53 3hjx h THR 190 Cb 0.25 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.78 3hjx h THR 190 CO -0.15 0.05 2.03 0.41 0.37 0.00 0.00 175.52 178.23 3hjx n THR 191 N -4.53 2.95 0.01 3.16 -1.04 -0.99 -5.08 114.28 108.75 3hjx n THR 191 Ca 0.27 -2.93 0.00 0.00 -2.04 0.00 0.00 64.05 59.35 3hjx n THR 191 Cb 1.05 -2.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 3hjx n THR 191 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3hjx n THR 192 N 6.56 0.00 -0.34 12.58 -2.24 -1.16 -4.95 114.28 124.73 3hjx n THR 192 Ca 0.48 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 62.26 3hjx n THR 192 Cb 0.44 -0.97 -0.01 0.00 -2.10 0.00 0.00 70.33 67.69 3hjx n THR 192 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hjx n GLU 196 N -0.97 0.68 0.00 -0.78 -0.58 -1.26 -5.13 120.64 112.60 3hjx n GLU 196 Ca 0.00 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.68 3hjx n GLU 196 Cb 0.00 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 3hjx n GLU 196 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3hjx n ASN 197 N 1.78 0.00 -4.77 1.62 4.13 -1.26 -4.90 115.26 111.87 3hjx n ASN 197 Ca 0.02 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.90 3hjx n ASN 197 Cb 0.33 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.51 3hjx n ASN 197 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3hjx s PHE 198 N 0.00 3.80 0.52 3.10 0.40 -1.26 -5.08 117.98 119.46 3hjx s PHE 198 Ca 0.00 1.82 0.07 0.00 -0.60 0.00 0.00 56.93 58.23 3hjx s PHE 198 Cb 0.00 -2.93 0.04 0.00 0.51 0.00 0.00 43.02 40.64 3hjx s PHE 198 CO 0.00 0.31 0.53 0.95 0.70 0.00 0.00 175.22 177.72 3hjx s THR 199 N -1.45 2.10 0.37 0.64 -4.23 -1.26 -4.96 115.64 106.86 3hjx s THR 199 Ca 0.46 -1.27 0.17 0.00 -1.18 0.00 0.00 61.69 59.87 3hjx s THR 199 Cb -0.21 -2.37 0.37 0.00 1.34 0.00 0.00 72.50 71.62 3hjx s THR 199 CO 0.27 0.00 1.71 -0.08 -0.54 0.00 0.00 174.62 175.98 3hjx h GLU 200 N 0.62 0.37 -0.37 3.99 4.81 -1.99 -0.52 114.58 121.49 3hjx h GLU 200 Ca -0.36 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 3hjx h GLU 200 Cb 1.29 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3hjx h GLU 200 CO 0.51 0.25 -0.07 1.15 -0.73 0.00 0.00 179.01 180.12 3hjx h THR 201 N 0.38 1.27 -0.43 0.32 2.02 -2.00 -2.92 112.91 111.56 3hjx h THR 201 Ca 0.67 -1.13 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 3hjx h THR 201 Cb 1.62 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.28 3hjx h THR 201 CO -0.44 0.37 -0.16 0.44 0.37 0.00 0.00 175.52 176.11 3hjx h ASP 202 N 0.49 0.80 -0.25 4.18 3.45 -1.53 -2.21 116.42 121.35 3hjx h ASP 202 Ca 0.09 -0.26 -0.01 0.00 0.43 0.00 0.00 57.03 57.28 3hjx h ASP 202 Cb 0.57 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.11 3hjx h ASP 202 CO 0.03 0.96 0.11 0.58 -1.57 0.00 0.00 179.24 179.35 3hjx h VAL 203 N 0.71 1.15 -0.02 -1.35 2.07 -1.11 0.74 116.25 118.44 3hjx h VAL 203 Ca 0.11 -0.45 -0.15 0.00 0.82 0.00 0.00 66.70 67.03 3hjx h VAL 203 Cb 0.66 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3hjx h VAL 203 CO 0.05 0.15 -0.67 0.07 0.02 0.00 0.00 177.57 177.19 3hjx h LYS 204 N 0.27 0.10 -0.28 1.57 2.10 -1.47 -1.87 116.57 116.99 3hjx h LYS 204 Ca 0.09 -0.08 -0.09 0.00 -2.00 0.00 0.00 60.65 58.57 3hjx h LYS 204 Cb 0.14 0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 3hjx h LYS 204 CO -0.01 0.73 -0.17 0.52 -2.00 0.00 0.00 179.45 178.52 3hjx h MET 205 N 0.07 0.60 -0.78 0.07 2.86 -1.23 -2.50 114.93 114.03 3hjx h MET 205 Ca -0.01 -0.28 0.11 0.00 -2.06 0.00 0.00 59.70 57.46 3hjx h MET 205 Cb 1.20 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.77 3hjx h MET 205 CO 0.09 0.86 0.40 1.98 1.06 0.00 0.00 176.91 181.30 3hjx h MET 206 N 0.34 0.62 -0.90 1.72 1.85 -0.76 -1.06 114.93 116.73 3hjx h MET 206 Ca 0.06 -0.04 -0.01 0.00 -0.61 0.00 0.00 59.70 59.10 3hjx h MET 206 Cb 0.70 -0.14 -0.04 0.00 0.43 0.00 0.00 31.60 32.55 3hjx h MET 206 CO 0.05 0.41 0.51 1.49 -0.40 0.00 0.00 176.91 178.97 3hjx h GLU 207 N 0.64 1.25 -0.24 0.39 4.81 -1.13 -0.94 114.58 119.35 3hjx h GLU 207 Ca 0.40 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.36 3hjx h GLU 207 Cb 0.46 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.59 3hjx h GLU 207 CO -0.30 0.90 -0.36 0.00 -0.73 0.00 0.00 179.01 178.52 3hjx h ARG 208 N 1.26 0.67 -0.57 1.92 3.08 -0.95 -0.06 114.38 119.72 3hjx h ARG 208 Ca 0.32 -0.40 -0.07 0.00 0.07 0.00 0.00 59.98 59.90 3hjx h ARG 208 Cb -0.00 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 3hjx h ARG 208 CO -0.05 1.01 0.07 -0.24 -1.07 0.00 0.00 179.97 179.69 3hjx h VAL 209 N 0.38 1.25 -0.11 2.04 3.04 -1.12 -1.91 116.25 119.82 3hjx h VAL 209 Ca 0.02 -0.98 -0.00 0.00 -1.01 0.00 0.00 66.70 64.73 3hjx h VAL 209 Cb 0.95 0.73 -0.01 0.00 -2.01 0.00 0.00 31.29 30.95 3hjx h VAL 209 CO 0.08 0.36 0.07 0.58 -1.01 0.00 0.00 177.57 177.65 3hjx h VAL 210 N 0.88 1.07 -0.14 1.51 2.07 -1.01 -1.39 116.25 119.23 3hjx h VAL 210 Ca 0.18 -0.18 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3hjx h VAL 210 Cb 0.41 0.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 3hjx h VAL 210 CO 0.01 0.06 -0.15 -0.08 0.02 0.00 0.00 177.57 177.43 3hjx h GLU 211 N 0.11 -0.18 -0.79 1.57 4.81 -0.82 0.14 114.58 119.42 3hjx h GLU 211 Ca 0.04 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.36 3hjx h GLU 211 Cb 0.04 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.40 3hjx h GLU 211 CO -0.01 -0.12 0.45 1.96 -0.73 0.00 0.00 179.01 180.57 3hjx h GLN 212 N -0.18 0.76 -0.34 1.92 1.08 -1.14 -0.86 115.11 116.34 3hjx h GLN 212 Ca 0.10 -0.05 -0.09 0.00 -1.45 0.00 0.00 58.65 57.16 3hjx h GLN 212 Cb 0.33 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.57 3hjx h GLN 212 CO -0.25 0.50 -0.16 0.52 -0.95 0.00 0.00 178.83 178.49 3hjx h MET 213 N 0.78 0.63 -0.70 1.46 2.86 -0.90 -0.84 114.93 118.21 3hjx h MET 213 Ca 0.37 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 3hjx h MET 213 Cb 0.30 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.88 3hjx h MET 213 CO -0.23 0.76 0.32 0.00 1.06 0.00 0.00 176.91 178.83 3hjx h ILE 215 N 1.00 1.28 -0.44 0.00 2.04 -0.78 0.99 117.51 121.59 3hjx h ILE 215 Ca 0.24 -1.19 0.01 0.00 1.00 0.00 0.00 64.86 64.93 3hjx h ILE 215 Cb 0.12 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.46 3hjx h ILE 215 CO -0.03 0.39 0.28 0.74 0.00 0.00 0.00 178.15 179.53 3hjx h THR 216 N 0.52 1.08 -0.60 -0.27 2.02 -0.83 -1.44 112.91 113.38 3hjx h THR 216 Ca 0.09 -0.19 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 3hjx h THR 216 Cb 0.62 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 3hjx h THR 216 CO 0.04 0.10 0.31 -0.61 0.37 0.00 0.00 175.52 175.74 3hjx h GLN 217 N 0.56 0.84 -0.27 6.66 5.75 -0.03 -0.73 115.11 127.89 3hjx h GLN 217 Ca 0.17 -0.09 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 3hjx h GLN 217 Cb -0.03 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 3hjx h GLN 217 CO -0.06 0.63 -0.20 -0.92 -2.65 0.00 0.00 178.83 175.63 3hjx h TYR 218 N 0.84 0.55 -0.46 3.99 3.20 -0.08 -2.23 116.97 122.77 3hjx h TYR 218 Ca 0.21 -0.10 -0.09 0.00 3.14 0.00 0.00 58.73 61.89 3hjx h TYR 218 Cb 0.05 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.16 3hjx h TYR 218 CO 0.01 0.67 -0.05 0.93 -1.64 0.00 0.00 178.16 178.07 3hjx h GLU 219 N 0.45 0.85 -0.99 1.82 5.08 -0.32 0.47 114.58 121.93 3hjx h GLU 219 Ca 0.07 -0.30 0.19 0.00 -1.00 0.00 0.00 59.36 58.33 3hjx h GLU 219 Cb 0.60 -0.06 -0.10 0.00 0.50 0.00 0.00 28.75 29.69 3hjx h GLU 219 CO 0.04 0.93 0.61 0.00 -1.00 0.00 0.00 179.01 179.59 3hjx h ARG 220 N 0.70 0.68 0.05 2.33 3.08 -0.84 -2.90 114.38 117.47 3hjx h ARG 220 Ca 0.13 -0.04 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3hjx h ARG 220 Cb 0.57 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.48 3hjx h ARG 220 CO 0.03 0.45 -0.37 0.93 -1.07 0.00 0.00 179.97 179.94 3hjx h GLU 221 N 0.70 0.17 -5.99 0.04 4.39 -0.83 -3.44 114.58 109.62 3hjx h GLU 221 Ca 0.55 -0.25 -0.74 0.00 0.34 0.00 0.00 59.36 59.27 3hjx h GLU 221 Cb 0.95 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.65 3hjx h GLU 221 CO -0.33 1.06 1.35 0.43 -1.16 0.00 0.00 179.01 180.37 3hjx n SER 222 N -4.40 1.18 0.00 1.42 7.64 0.10 -5.02 113.62 114.55 3hjx n SER 222 Ca -0.11 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.36 3hjx n SER 222 Cb 0.61 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 3hjx n SER 222 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03