#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwv s HIS 133 N 0.00 3.34 0.02 0.66 0.09 -1.26 -4.16 115.29 113.99 2hwv s HIS 133 Ca 0.00 1.22 0.01 0.00 -0.00 0.00 0.00 55.06 56.28 2hwv s HIS 133 Cb 0.00 -3.08 -0.02 0.00 -0.00 0.00 0.00 32.58 29.48 2hwv s HIS 133 CO 0.00 -0.38 -0.04 -1.64 -0.00 0.00 0.00 174.74 172.68 2hwv s MET 134 N 2.75 0.36 0.01 1.40 -1.94 -0.68 -5.01 119.30 116.18 2hwv s MET 134 Ca 0.37 -0.62 0.08 0.00 -1.71 0.00 0.00 55.69 53.81 2hwv s MET 134 Cb -0.16 -0.00 -0.02 0.00 2.01 0.00 0.00 34.83 36.66 2hwv s MET 134 CO 0.08 -0.02 -0.25 0.95 -0.01 0.00 0.00 175.02 175.77 2hwv s THR 135 N -1.37 2.02 -0.34 2.05 -4.23 -1.26 -0.27 115.64 112.24 2hwv s THR 135 Ca -0.14 -1.20 -0.01 0.00 -1.18 0.00 0.00 61.69 59.17 2hwv s THR 135 Cb -0.10 -1.70 0.11 0.00 1.34 0.00 0.00 72.50 72.16 2hwv s THR 135 CO -0.01 0.47 0.14 -0.63 -0.54 0.00 0.00 174.62 174.05 2hwv s ILE 136 N -0.68 0.77 0.00 2.99 1.09 0.59 -5.01 121.20 120.95 2hwv s ILE 136 Ca 0.10 -1.57 0.00 0.00 -1.10 0.00 0.00 60.65 58.09 2hwv s ILE 136 Cb -0.10 -1.57 0.00 0.00 -1.06 0.00 0.00 42.46 39.73 2hwv s ILE 136 CO 0.00 -0.76 0.00 0.61 -0.10 0.00 0.00 174.94 174.69 2hwv n GLY 137 N 4.56 3.40 0.00 6.18 0.00 -1.26 -1.38 105.19 116.69 2hwv n GLY 137 Ca 0.01 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.28 2hwv n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hwv n ASP 138 N 5.11 0.00 -4.81 1.61 8.00 -1.26 -4.79 116.55 120.41 2hwv n ASP 138 Ca 0.00 -0.48 -0.38 0.00 0.71 0.00 0.00 54.79 54.64 2hwv n ASP 138 Cb 0.00 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 2hwv n ASP 138 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hwv s LEU 139 N -2.31 4.45 -0.12 0.64 1.43 -0.48 -3.18 118.68 119.11 2hwv s LEU 139 Ca 0.35 1.00 0.01 0.00 -1.03 0.00 0.00 54.13 54.46 2hwv s LEU 139 Cb 0.19 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.76 2hwv s LEU 139 CO 0.39 0.26 -0.14 -0.89 0.23 0.00 0.00 176.35 176.20 2hwv s THR 140 N -0.79 1.47 -0.22 5.49 2.01 0.42 -0.30 115.64 123.72 2hwv s THR 140 Ca 0.25 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 2hwv s THR 140 Cb -0.17 -1.36 -0.05 0.00 0.01 0.00 0.00 72.50 70.93 2hwv s THR 140 CO 0.14 0.44 0.16 -0.63 -0.69 0.00 0.00 174.62 174.04 2hwv s ILE 141 N 1.22 5.38 0.22 1.82 1.01 0.63 -1.62 121.20 129.85 2hwv s ILE 141 Ca -0.02 0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.93 2hwv s ILE 141 Cb -0.14 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.79 2hwv s ILE 141 CO -0.05 0.39 -0.00 -1.00 0.00 0.00 0.00 174.94 174.28 2hwv s HIS 142 N 0.71 2.78 -1.29 3.97 3.76 -1.26 -1.69 115.29 122.27 2hwv s HIS 142 Ca 0.08 -0.18 0.28 0.00 -0.15 0.00 0.00 55.06 55.09 2hwv s HIS 142 Cb -0.12 -1.30 1.03 0.00 1.11 0.00 0.00 32.58 33.30 2hwv s HIS 142 CO 0.02 0.56 1.76 -0.35 -0.85 0.00 0.00 174.74 175.87 2hwv n PRO 143 N -0.47 0.30 0.10 8.40 -0.04 -1.26 -4.33 135.00 137.70 2hwv n PRO 143 Ca -0.08 -0.11 -0.02 0.00 -0.04 0.00 0.00 63.50 63.25 2hwv n PRO 143 Cb 0.57 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.76 2hwv n PRO 143 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2hwv h ASP 144 N 0.26 0.24 -5.21 3.54 2.03 -1.96 -3.47 116.42 111.85 2hwv h ASP 144 Ca 0.00 -0.10 -0.10 0.00 -0.73 0.00 0.00 57.03 56.10 2hwv h ASP 144 Cb 0.44 -0.07 -0.13 0.00 -0.83 0.00 0.00 39.33 38.74 2hwv h ASP 144 CO 0.00 0.63 -0.34 0.00 -1.03 0.00 0.00 179.24 178.50 2hwv s ALA 145 N -4.15 -0.11 -1.14 4.15 0.00 -1.26 -5.07 121.76 114.17 2hwv s ALA 145 Ca -0.04 -0.75 -0.19 0.00 0.00 0.00 0.00 51.96 50.98 2hwv s ALA 145 Cb 0.13 0.68 0.09 0.00 0.00 0.00 0.00 23.12 24.03 2hwv s ALA 145 CO 0.77 -0.58 1.50 0.71 0.00 0.00 0.00 175.76 178.16 2hwv s TYR 146 N -3.91 2.90 0.15 0.00 1.51 -1.26 -4.86 117.35 111.88 2hwv s TYR 146 Ca 0.11 -1.47 -0.25 0.00 -1.01 0.00 0.00 57.07 54.46 2hwv s TYR 146 Cb 0.04 -4.58 0.06 0.00 -0.11 0.00 0.00 41.96 37.37 2hwv s TYR 146 CO -0.06 -1.72 0.87 0.00 -1.11 0.00 0.00 175.55 173.54 2hwv s MET 147 N 3.69 1.25 0.05 -0.62 0.23 -1.26 -1.53 119.30 121.11 2hwv s MET 147 Ca 0.46 -0.64 0.03 0.00 -1.03 0.00 0.00 55.69 54.51 2hwv s MET 147 Cb 0.00 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.73 2hwv s MET 147 CO -0.01 -0.57 -0.10 0.54 -2.03 0.00 0.00 175.02 172.85 2hwv s VAL 148 N -3.42 0.76 -0.04 5.16 0.11 -0.55 -4.68 120.40 117.73 2hwv s VAL 148 Ca 0.10 -1.16 0.00 0.00 -2.93 0.00 0.00 61.98 57.99 2hwv s VAL 148 Cb -0.02 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 2hwv s VAL 148 CO -0.00 -0.32 -0.02 -0.44 -3.33 0.00 0.00 175.10 170.99 2hwv s SER 149 N -1.63 5.01 -0.20 3.54 0.01 -0.64 -0.50 113.70 119.30 2hwv s SER 149 Ca -0.07 0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.18 2hwv s SER 149 Cb -0.10 -1.32 0.08 0.00 0.21 0.00 0.00 66.02 64.89 2hwv s SER 149 CO 0.01 0.33 0.16 -0.75 0.41 0.00 0.00 173.24 173.40 2hwv s LYS 150 N -1.17 0.15 -1.48 12.44 2.20 0.21 -0.44 119.74 131.65 2hwv s LYS 150 Ca 0.16 -0.01 -0.07 0.00 -0.36 0.00 0.00 55.97 55.69 2hwv s LYS 150 Cb -0.11 -1.43 0.05 0.00 -1.51 0.00 0.00 37.83 34.83 2hwv s LYS 150 CO 0.06 -0.72 0.66 0.54 -0.36 0.00 0.00 175.35 175.52 2hwv n ARG 151 N 5.30 -4.00 -0.47 4.03 1.74 -1.19 -1.58 116.66 120.50 2hwv n ARG 151 Ca -0.06 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 2hwv n ARG 151 Cb 0.48 -4.95 0.00 0.00 -1.02 0.00 0.00 32.46 26.97 2hwv n ARG 151 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hwv n GLY 152 N -1.73 1.18 3.74 -0.13 0.00 -1.26 -5.04 105.19 101.95 2hwv n GLY 152 Ca -0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 2hwv n GLY 152 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2hwv s GLU 153 N -0.33 4.02 -0.16 1.61 2.12 -0.61 -5.10 118.70 120.25 2hwv s GLU 153 Ca 0.00 -0.23 -0.11 0.00 0.36 0.00 0.00 54.97 54.99 2hwv s GLU 153 Cb 0.00 -3.34 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 2hwv s GLU 153 CO 0.00 0.38 0.21 0.15 -0.54 0.00 0.00 175.26 175.46 2hwv s LYS 154 N 0.12 4.06 -0.18 4.30 1.02 -1.26 -0.62 119.74 127.18 2hwv s LYS 154 Ca 0.08 -0.04 0.01 0.00 0.02 0.00 0.00 55.97 56.04 2hwv s LYS 154 Cb -0.11 -3.37 0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2hwv s LYS 154 CO -0.01 0.39 -0.14 0.42 -0.92 0.00 0.00 175.35 175.09 2hwv s ILE 155 N 0.06 1.76 0.27 2.17 1.01 0.35 -5.00 121.20 121.82 2hwv s ILE 155 Ca 0.13 -0.93 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 2hwv s ILE 155 Cb -0.12 -1.72 -0.10 0.00 0.01 0.00 0.00 42.46 40.52 2hwv s ILE 155 CO 0.02 0.32 1.35 -0.70 0.00 0.00 0.00 174.94 175.93 2hwv s GLU 156 N 1.37 4.34 0.10 2.79 2.12 -1.26 -1.48 118.70 126.68 2hwv s GLU 156 Ca 0.01 2.20 0.10 0.00 0.36 0.00 0.00 54.97 57.64 2hwv s GLU 156 Cb -0.15 -3.12 -0.04 0.00 0.26 0.00 0.00 34.13 31.09 2hwv s GLU 156 CO -0.10 -0.27 -0.26 -0.51 -0.54 0.00 0.00 175.26 173.58 2hwv s LEU 157 N -0.93 2.29 1.06 2.70 1.43 -0.58 -4.92 118.68 119.73 2hwv s LEU 157 Ca 0.54 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.83 2hwv s LEU 157 Cb -0.39 -1.26 0.23 0.00 0.03 0.00 0.00 46.19 44.80 2hwv s LEU 157 CO 0.46 0.21 1.07 0.42 0.23 0.00 0.00 176.35 178.73 2hwv s THR 158 N -0.98 2.09 0.14 5.49 -4.23 -1.26 -4.60 115.64 112.29 2hwv s THR 158 Ca 0.13 0.03 -0.20 0.00 -1.18 0.00 0.00 61.69 60.47 2hwv s THR 158 Cb -0.10 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.41 2hwv s THR 158 CO 0.05 -0.04 1.69 0.45 -0.54 0.00 0.00 174.62 176.23 2hwv h HIS 159 N -2.19 -0.19 -0.59 3.99 -0.00 -1.99 -1.09 115.15 113.09 2hwv h HIS 159 Ca -0.57 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 59.78 2hwv h HIS 159 Cb 1.33 0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 28.83 2hwv h HIS 159 CO 0.29 -0.14 0.21 0.00 -0.00 0.00 0.00 177.93 178.30 2hwv h ARG 160 N -0.05 0.89 -0.33 2.45 2.47 -1.96 -0.70 114.38 117.15 2hwv h ARG 160 Ca 0.11 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 2hwv h ARG 160 Cb 0.22 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.38 2hwv h ARG 160 CO -0.25 0.78 0.22 0.93 0.56 0.00 0.00 179.97 182.21 2hwv h GLU 161 N 0.82 0.43 -0.08 0.04 5.08 -1.87 -0.55 114.58 118.45 2hwv h GLU 161 Ca 0.19 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 2hwv h GLU 161 Cb 0.24 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 2hwv h GLU 161 CO -0.01 0.28 0.03 0.35 -1.00 0.00 0.00 179.01 178.66 2hwv h PHE 162 N 0.44 0.11 -0.77 4.33 3.57 -1.07 -0.43 116.94 123.13 2hwv h PHE 162 Ca 0.12 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2hwv h PHE 162 Cb -0.05 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.61 2hwv h PHE 162 CO -0.06 0.23 0.48 0.93 -2.23 0.00 0.00 178.31 177.66 2hwv h GLU 163 N -0.03 0.91 0.13 1.11 5.08 -0.96 0.15 114.58 120.96 2hwv h GLU 163 Ca 0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2hwv h GLU 163 Cb 0.16 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2hwv h GLU 163 CO -0.00 0.60 -0.06 1.25 -1.00 0.00 0.00 179.01 179.79 2hwv h LEU 164 N 0.93 -0.15 -0.29 1.33 5.85 -0.96 -0.64 115.31 121.39 2hwv h LEU 164 Ca 0.31 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.90 2hwv h LEU 164 Cb 0.04 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2hwv h LEU 164 CO -0.12 0.06 0.16 0.25 -0.34 0.00 0.00 178.44 178.45 2hwv h LEU 165 N -0.36 0.26 -0.55 2.25 5.85 -0.73 0.10 115.31 122.13 2hwv h LEU 165 Ca -0.02 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 2hwv h LEU 165 Cb 0.29 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 2hwv h LEU 165 CO 0.03 0.19 0.24 0.22 -0.34 0.00 0.00 178.44 178.78 2hwv h TYR 166 N 0.34 0.83 -0.42 1.25 3.20 -0.72 0.12 116.97 121.57 2hwv h TYR 166 Ca 0.12 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2hwv h TYR 166 Cb 0.01 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 2hwv h TYR 166 CO -0.08 0.66 0.27 -0.92 -1.64 0.00 0.00 178.16 176.46 2hwv h TYR 167 N 0.75 0.52 -0.72 -3.82 3.20 -0.75 -0.10 116.97 116.06 2hwv h TYR 167 Ca 0.19 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.00 2hwv h TYR 167 Cb 0.17 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2hwv h TYR 167 CO 0.00 0.32 0.18 -0.07 -1.64 0.00 0.00 178.16 176.95 2hwv h LEU 168 N 0.56 1.08 -0.73 2.82 3.38 -0.69 -2.57 115.31 119.16 2hwv h LEU 168 Ca 0.16 -0.23 0.08 0.00 0.09 0.00 0.00 57.88 57.98 2hwv h LEU 168 Cb -0.05 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 40.35 2hwv h LEU 168 CO -0.04 1.03 0.40 0.00 0.09 0.00 0.00 178.44 179.92 2hwv h ALA 169 N 1.10 1.01 -0.02 1.53 0.00 -0.43 -0.78 119.26 121.67 2hwv h ALA 169 Ca 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2hwv h ALA 169 Cb 0.37 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2hwv h ALA 169 CO 0.00 0.04 -0.09 0.87 0.00 0.00 0.00 179.25 180.07 2hwv h LYS 170 N 0.70 0.03 -0.96 0.00 1.79 -0.68 -2.56 116.57 114.88 2hwv h LYS 170 Ca 0.35 -0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 58.21 2hwv h LYS 170 Cb 0.29 -0.00 -0.38 0.00 -1.58 0.00 0.00 32.23 30.56 2hwv h LYS 170 CO -0.23 0.12 -0.21 0.72 -1.08 0.00 0.00 179.45 178.77 2hwv n HIS 171 N -4.42 2.97 -1.60 -1.35 8.25 -0.68 -5.05 115.22 113.35 2hwv n HIS 171 Ca -0.02 -2.55 -0.48 0.00 -0.26 0.00 0.00 57.72 54.40 2hwv n HIS 171 Cb 0.17 -0.69 -0.04 0.00 1.12 0.00 0.00 29.99 30.55 2hwv n HIS 171 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2hwv n ILE 172 N -0.74 0.79 -0.83 1.59 0.13 -0.39 -0.82 119.36 119.09 2hwv n ILE 172 Ca 0.50 -0.20 0.00 0.00 -1.10 0.00 0.00 62.75 61.95 2hwv n ILE 172 Cb 0.81 -0.97 0.00 0.00 -0.84 0.00 0.00 39.64 38.65 2hwv n ILE 172 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2hwv n GLY 173 N 2.13 0.05 3.71 4.50 0.00 0.11 -4.98 105.19 110.70 2hwv n GLY 173 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2hwv n GLY 173 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hwv s GLN 174 N -1.52 4.27 -0.05 1.61 -0.21 -0.00 -4.99 119.66 118.77 2hwv s GLN 174 Ca 0.00 0.26 -0.30 0.00 0.02 0.00 0.00 55.36 55.34 2hwv s GLN 174 Cb 0.00 -3.46 -0.03 0.00 1.00 0.00 0.00 33.01 30.52 2hwv s GLN 174 CO 0.00 0.13 1.19 0.08 -2.12 0.00 0.00 175.29 174.57 2hwv s VAL 175 N 0.76 4.26 -0.19 1.09 1.01 -1.26 -4.44 120.40 121.64 2hwv s VAL 175 Ca 0.21 1.59 -0.03 0.00 0.00 0.00 0.00 61.98 63.75 2hwv s VAL 175 Cb -0.14 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2hwv s VAL 175 CO 0.07 0.01 -0.07 -0.04 0.00 0.00 0.00 175.10 175.07 2hwv s MET 176 N 2.14 3.40 0.75 2.72 1.00 0.41 -4.89 119.30 124.84 2hwv s MET 176 Ca 0.56 -0.63 -0.13 0.00 0.00 0.00 0.00 55.69 55.49 2hwv s MET 176 Cb -0.25 -2.88 0.05 0.00 0.00 0.00 0.00 34.83 31.75 2hwv s MET 176 CO 0.22 -0.03 1.12 0.95 0.00 0.00 0.00 175.02 177.29 2hwv s THR 177 N 1.01 2.97 0.25 2.05 -4.23 -1.26 -0.96 115.64 115.48 2hwv s THR 177 Ca -0.00 0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.85 2hwv s THR 177 Cb -0.15 -2.82 0.18 0.00 1.34 0.00 0.00 72.50 71.05 2hwv s THR 177 CO -0.00 -0.35 1.83 0.03 -0.54 0.00 0.00 174.62 175.59 2hwv h ARG 178 N -0.73 1.05 -0.68 3.99 3.08 -1.96 -1.07 114.38 118.06 2hwv h ARG 178 Ca -0.45 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.37 2hwv h ARG 178 Cb 1.25 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 31.09 2hwv h ARG 178 CO 0.51 0.85 0.20 0.93 -1.07 0.00 0.00 179.97 181.38 2hwv h GLU 179 N 1.03 1.07 -0.52 0.04 4.39 -1.95 0.80 114.58 119.46 2hwv h GLU 179 Ca 0.24 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2hwv h GLU 179 Cb 0.18 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 2hwv h GLU 179 CO -0.02 0.94 0.18 1.25 -1.16 0.00 0.00 179.01 180.19 2hwv h HIS 180 N 1.01 0.82 -0.36 4.33 2.76 -1.83 -1.02 115.15 120.87 2hwv h HIS 180 Ca 0.22 -0.08 -0.02 0.00 -2.20 0.00 0.00 60.37 58.30 2hwv h HIS 180 Cb 0.32 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.02 2hwv h HIS 180 CO 0.02 0.69 0.16 -0.07 -1.30 0.00 0.00 177.93 177.44 2hwv h LEU 181 N 0.70 0.48 0.02 0.26 3.38 -1.02 -1.27 115.31 117.87 2hwv h LEU 181 Ca 0.17 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.02 2hwv h LEU 181 Cb 0.25 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 2hwv h LEU 181 CO -0.01 0.50 -0.30 -0.07 0.09 0.00 0.00 178.44 178.65 2hwv h LEU 182 N 0.43 -0.89 -1.00 1.67 3.38 -0.72 0.13 115.31 118.31 2hwv h LEU 182 Ca 0.12 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2hwv h LEU 182 Cb 0.16 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 2hwv h LEU 182 CO -0.01 -0.37 0.65 1.56 0.09 0.00 0.00 178.44 180.36 2hwv h GLN 183 N -0.46 1.22 0.13 1.13 4.20 -1.07 -0.51 115.11 119.74 2hwv h GLN 183 Ca 0.06 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.49 2hwv h GLN 183 Cb 0.54 -0.27 0.02 0.00 0.30 0.00 0.00 27.48 28.06 2hwv h GLN 183 CO -0.24 0.81 -0.90 1.15 -0.67 0.00 0.00 178.83 178.97 2hwv h THR 184 N 1.26 1.43 0.02 -0.54 2.02 -0.98 -3.37 112.91 112.75 2hwv h THR 184 Ca 0.40 -2.51 -0.32 0.00 0.77 0.00 0.00 66.41 64.75 2hwv h THR 184 Cb 0.02 3.12 -0.05 0.00 -1.74 0.00 0.00 68.15 69.50 2hwv h THR 184 CO -0.13 0.71 -1.87 0.52 0.37 0.00 0.00 175.52 175.11 2hwv n VAL 185 N -4.10 1.60 -0.00 3.16 0.31 0.43 -4.81 118.33 114.92 2hwv n VAL 185 Ca -0.16 -0.78 -0.00 0.00 -0.01 0.00 0.00 64.34 63.39 2hwv n VAL 185 Cb 0.83 -1.07 -0.00 0.00 -0.91 0.00 0.00 33.84 32.69 2hwv n VAL 185 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 2hwv n TRP 186 N -3.07 0.04 0.00 3.52 8.01 -0.20 -5.01 117.44 120.72 2hwv n TRP 186 Ca -0.22 0.02 0.00 0.00 -1.31 0.00 0.00 57.50 55.98 2hwv n TRP 186 Cb 1.07 -0.24 0.00 0.00 -2.01 0.00 0.00 31.31 30.12 2hwv n TRP 186 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2hwv n GLY 187 N 1.72 0.67 0.25 6.99 0.00 -1.22 -4.99 105.19 108.61 2hwv n GLY 187 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.03 2hwv n GLY 187 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2hwv h TYR 188 N 0.00 0.13 0.00 1.61 3.20 -1.81 0.85 116.97 120.95 2hwv h TYR 188 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2hwv h TYR 188 Cb 0.00 0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.32 2hwv h TYR 188 CO 0.00 -0.12 0.00 -0.25 -1.64 0.00 0.00 178.16 176.15 2hwv n ASP 189 N -5.21 0.00 -0.91 -2.11 8.00 -1.26 -3.11 116.55 111.95 2hwv n ASP 189 Ca 0.12 0.44 0.12 0.00 0.71 0.00 0.00 54.79 56.17 2hwv n ASP 189 Cb 0.41 -0.47 0.09 0.00 -0.02 0.00 0.00 41.12 41.13 2hwv n ASP 189 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2hwv n TYR 190 N -1.47 0.00 -1.64 1.24 4.02 0.29 -4.98 117.16 114.62 2hwv n TYR 190 Ca 0.04 0.00 -0.47 0.00 -0.01 0.00 0.00 57.90 57.46 2hwv n TYR 190 Cb 0.16 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.44 2hwv n TYR 190 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 2hwv n PHE 191 N 1.22 1.93 -0.02 -0.72 7.35 -1.18 -1.01 117.46 125.02 2hwv n PHE 191 Ca 0.13 0.47 0.00 0.00 -0.76 0.00 0.00 57.45 57.30 2hwv n PHE 191 Cb 0.58 -2.42 0.00 0.00 0.35 0.00 0.00 39.48 37.99 2hwv n PHE 191 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2hwv n GLY 192 N 2.45 1.81 2.30 7.13 0.00 -1.26 -4.93 105.19 112.69 2hwv n GLY 192 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2hwv n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hwv n ASP 193 N 0.00 6.45 0.15 1.61 9.92 -0.18 -4.72 116.55 129.78 2hwv n ASP 193 Ca 0.00 -2.88 0.09 0.00 -0.53 0.00 0.00 54.79 51.47 2hwv n ASP 193 Cb 0.00 -1.35 0.58 0.00 -0.64 0.00 0.00 41.12 39.72 2hwv n ASP 193 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 2hwv h VAL 194 N 2.17 0.99 -0.88 2.53 -1.51 -1.92 -0.29 116.25 117.35 2hwv h VAL 194 Ca 0.41 -0.05 0.10 0.00 -1.23 0.00 0.00 66.70 65.92 2hwv h VAL 194 Cb 0.91 0.82 -0.06 0.00 -2.13 0.00 0.00 31.29 30.82 2hwv h VAL 194 CO 0.81 0.03 0.57 0.03 -1.23 0.00 0.00 177.57 177.78 2hwv h ARG 195 N 0.16 0.84 -0.64 5.19 3.08 -1.99 -2.24 114.38 118.79 2hwv h ARG 195 Ca 0.08 -0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.16 2hwv h ARG 195 Cb 0.13 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 29.92 2hwv h ARG 195 CO -0.01 0.56 0.31 1.15 -1.07 0.00 0.00 179.97 180.91 2hwv h THR 196 N 0.87 0.88 0.25 2.04 2.02 -1.44 0.95 112.91 118.49 2hwv h THR 196 Ca 0.41 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 67.38 2hwv h THR 196 Cb 0.40 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2hwv h THR 196 CO -0.17 0.10 -0.12 0.58 0.37 0.00 0.00 175.52 176.28 2hwv h VAL 197 N 0.56 0.78 -0.77 3.16 2.07 -1.51 -2.09 116.25 118.45 2hwv h VAL 197 Ca 0.30 -0.19 0.09 0.00 0.82 0.00 0.00 66.70 67.73 2hwv h VAL 197 Cb 0.28 0.89 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 2hwv h VAL 197 CO -0.23 0.04 0.42 0.44 0.02 0.00 0.00 177.57 178.26 2hwv h ASP 198 N -0.44 0.59 -0.23 0.57 3.32 -1.04 0.24 116.42 119.43 2hwv h ASP 198 Ca -0.03 0.05 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 2hwv h ASP 198 Cb 0.33 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2hwv h ASP 198 CO 0.06 0.34 -0.36 0.58 -1.72 0.00 0.00 179.24 178.14 2hwv h VAL 199 N 0.72 1.28 -0.42 -1.35 2.07 -0.81 -0.87 116.25 116.87 2hwv h VAL 199 Ca 0.37 -1.52 -0.10 0.00 0.82 0.00 0.00 66.70 66.27 2hwv h VAL 199 Cb 0.34 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2hwv h VAL 199 CO -0.25 0.50 -0.12 0.74 0.02 0.00 0.00 177.57 178.46 2hwv h THR 200 N 0.63 1.28 -0.21 2.57 2.02 -0.70 -0.37 112.91 118.13 2hwv h THR 200 Ca 0.06 -1.23 0.04 0.00 0.77 0.00 0.00 66.41 66.05 2hwv h THR 200 Cb 0.90 1.20 -0.04 0.00 -1.74 0.00 0.00 68.15 68.48 2hwv h THR 200 CO 0.08 0.42 -0.03 0.58 0.37 0.00 0.00 175.52 176.94 2hwv h VAL 201 N 0.64 0.82 -0.39 3.16 2.07 -0.45 0.33 116.25 122.44 2hwv h VAL 201 Ca 0.10 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.67 2hwv h VAL 201 Cb 0.66 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 2hwv h VAL 201 CO 0.05 0.01 0.08 -0.09 0.02 0.00 0.00 177.57 177.63 2hwv h ARG 202 N 0.03 0.20 -0.62 1.57 2.43 -0.92 0.90 114.38 117.98 2hwv h ARG 202 Ca 0.10 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 2hwv h ARG 202 Cb 0.14 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 2hwv h ARG 202 CO -0.19 0.14 0.41 0.00 -1.51 0.00 0.00 179.97 178.81 2hwv h ARG 203 N 0.21 0.82 -0.47 0.20 3.08 -0.85 0.23 114.38 117.59 2hwv h ARG 203 Ca 0.19 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.20 2hwv h ARG 203 Cb 0.22 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2hwv h ARG 203 CO -0.24 0.54 0.30 -0.07 -1.07 0.00 0.00 179.97 179.44 2hwv h LEU 204 N 0.84 0.50 -0.62 3.04 3.38 -0.34 -1.36 115.31 120.75 2hwv h LEU 204 Ca 0.23 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 2hwv h LEU 204 Cb -0.09 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 2hwv h LEU 204 CO -0.05 0.36 0.37 0.03 0.09 0.00 0.00 178.44 179.24 2hwv h ARG 205 N 0.61 0.84 -0.41 1.13 3.08 -0.54 0.20 114.38 119.28 2hwv h ARG 205 Ca 0.18 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.17 2hwv h ARG 205 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2hwv h ARG 205 CO -0.06 0.61 0.27 0.93 -1.07 0.00 0.00 179.97 180.65 2hwv h GLU 206 N 0.84 0.51 0.20 0.04 5.08 -0.52 0.12 114.58 120.84 2hwv h GLU 206 Ca 0.22 -0.03 -0.34 0.00 -1.00 0.00 0.00 59.36 58.21 2hwv h GLU 206 Cb -0.02 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.14 2hwv h GLU 206 CO -0.04 0.33 -1.66 0.87 -1.00 0.00 0.00 179.01 177.51 2hwv h LYS 207 N 0.52 0.43 0.00 2.33 1.57 -0.82 -3.42 116.57 117.17 2hwv h LYS 207 Ca 0.16 -0.73 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2hwv h LYS 207 Cb -0.00 0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.58 2hwv h LYS 207 CO -0.04 1.34 -1.66 0.44 -0.57 0.00 0.00 179.45 178.96 2hwv n ILE 208 N -3.62 0.00 -3.31 1.86 -5.35 0.65 -4.98 119.36 104.63 2hwv n ILE 208 Ca -0.22 -0.35 -0.38 0.00 -0.27 0.00 0.00 62.75 61.53 2hwv n ILE 208 Cb 1.08 0.18 -0.06 0.00 -1.74 0.00 0.00 39.64 39.11 2hwv n ILE 208 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2hwv s GLU 209 N -3.05 4.18 0.16 6.28 0.41 0.01 -4.99 118.70 121.71 2hwv s GLU 209 Ca -0.05 0.66 -0.21 0.00 -0.41 0.00 0.00 54.97 54.96 2hwv s GLU 209 Cb 0.10 -3.26 0.07 0.00 -1.78 0.00 0.00 34.13 29.26 2hwv s GLU 209 CO 0.64 0.58 1.61 -0.44 -0.49 0.00 0.00 175.26 177.17 2hwv h ASP 210 N 4.87 -0.89 -3.36 -0.19 3.45 -1.94 -3.34 116.42 115.03 2hwv h ASP 210 Ca -0.49 0.17 -0.59 0.00 0.43 0.00 0.00 57.03 56.55 2hwv h ASP 210 Cb 1.21 0.43 -0.40 0.00 -0.56 0.00 0.00 39.33 40.02 2hwv h ASP 210 CO 0.65 -0.29 -0.76 -0.94 -1.57 0.00 0.00 179.24 176.33 2hwv s SER 211 N -5.08 3.91 0.47 6.45 1.04 -1.26 -5.02 113.70 114.20 2hwv s SER 211 Ca -0.15 -1.47 0.21 0.00 0.48 0.00 0.00 55.95 55.03 2hwv s SER 211 Cb 0.14 -1.00 1.22 0.00 0.10 0.00 0.00 66.02 66.48 2hwv s SER 211 CO 0.69 -0.35 1.92 -0.65 0.98 0.00 0.00 173.24 175.82 2hwv h PRO 212 N 8.02 0.23 0.00 4.02 0.11 -1.78 -0.07 132.00 142.53 2hwv h PRO 212 Ca -0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2hwv h PRO 212 Cb 1.05 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2hwv h PRO 212 CO 0.44 0.15 0.00 0.66 -0.21 0.00 0.00 178.00 179.04 2hwv h SER 213 N 0.24 0.00 -2.11 -2.05 4.64 -1.95 -3.31 113.55 109.00 2hwv h SER 213 Ca 0.37 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 61.11 2hwv h SER 213 Cb 1.11 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.80 2hwv h SER 213 CO -0.08 0.00 -0.83 1.41 -0.87 0.00 0.00 176.83 176.46 2hwv n HIS 214 N -2.32 1.93 -1.97 4.77 8.25 -0.04 -5.12 115.22 120.72 2hwv n HIS 214 Ca 0.04 -3.90 -0.38 0.00 -0.26 0.00 0.00 57.72 53.22 2hwv n HIS 214 Cb 0.37 -0.47 0.02 0.00 1.12 0.00 0.00 29.99 31.03 2hwv n HIS 214 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2hwv s PRO 215 N -2.03 3.48 0.00 -0.41 0.04 -1.21 -4.68 135.00 130.19 2hwv s PRO 215 Ca 0.39 2.09 0.00 0.00 0.04 0.00 0.00 61.00 63.52 2hwv s PRO 215 Cb 0.18 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2hwv s PRO 215 CO -0.06 -0.87 0.00 0.25 0.04 0.00 0.00 177.00 176.36 2hwv n THR 216 N -0.65 0.00 -0.09 1.26 -2.24 -1.26 -4.85 114.28 106.45 2hwv n THR 216 Ca 0.08 -0.10 -0.15 0.00 -2.27 0.00 0.00 64.05 61.61 2hwv n THR 216 Cb 0.46 0.53 -0.07 0.00 -2.10 0.00 0.00 70.33 69.15 2hwv n THR 216 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2hwv n TYR 217 N -0.86 0.85 -3.60 4.78 4.02 -1.26 -4.25 117.16 116.84 2hwv n TYR 217 Ca 0.00 0.37 -0.40 0.00 -0.01 0.00 0.00 57.90 57.86 2hwv n TYR 217 Cb 0.00 -0.94 -0.09 0.00 -0.02 0.00 0.00 39.34 38.29 2hwv n TYR 217 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 2hwv s LEU 218 N -7.97 5.51 0.05 7.72 0.20 -1.26 -0.79 118.68 122.13 2hwv s LEU 218 Ca -0.24 -1.84 0.08 0.00 0.69 0.00 0.00 54.13 52.81 2hwv s LEU 218 Cb 0.05 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.80 2hwv s LEU 218 CO 0.43 -0.64 -0.19 -0.69 -0.29 0.00 0.00 176.35 174.97 2hwv s VAL 219 N 1.34 2.69 -0.22 1.68 1.01 -0.00 -4.82 120.40 122.08 2hwv s VAL 219 Ca 0.05 -1.25 -0.17 0.00 0.00 0.00 0.00 61.98 60.62 2hwv s VAL 219 Cb -0.25 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 2hwv s VAL 219 CO -0.01 0.32 0.46 -0.89 0.00 0.00 0.00 175.10 174.98 2hwv s THR 220 N -0.93 5.14 -0.61 3.92 2.01 -1.26 -1.26 115.64 122.65 2hwv s THR 220 Ca 0.14 0.81 -0.23 0.00 0.31 0.00 0.00 61.69 62.72 2hwv s THR 220 Cb -0.10 -3.78 0.05 0.00 0.01 0.00 0.00 72.50 68.68 2hwv s THR 220 CO 0.05 0.18 0.97 -0.60 -0.69 0.00 0.00 174.62 174.52 2hwv s ARG 221 N 1.75 3.22 0.06 4.92 6.06 -0.27 -4.99 118.95 129.69 2hwv s ARG 221 Ca 0.21 -0.53 -0.36 0.00 -2.50 0.00 0.00 55.73 52.55 2hwv s ARG 221 Cb -0.15 -4.14 -0.15 0.00 0.06 0.00 0.00 34.95 30.57 2hwv s ARG 221 CO 0.09 -1.67 1.51 -2.13 -2.50 0.00 0.00 175.30 170.60 2hwv n ARG 222 N 7.66 1.59 -0.86 5.12 0.63 -1.26 -0.73 116.66 128.81 2hwv n ARG 222 Ca -0.01 0.58 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 2hwv n ARG 222 Cb 0.47 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.09 2hwv n ARG 222 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hwv n GLY 223 N 3.16 0.63 1.00 5.14 0.00 -1.26 -4.81 105.19 109.05 2hwv n GLY 223 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.20 2hwv n GLY 223 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hwv n VAL 224 N -2.09 0.89 0.00 1.61 0.31 0.09 -5.13 118.33 114.00 2hwv n VAL 224 Ca 0.00 0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2hwv n VAL 224 Cb 0.02 -1.59 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 2hwv n VAL 224 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hwv n GLY 225 N 3.28 -0.70 3.27 2.92 0.00 -0.94 -4.12 105.19 108.90 2hwv n GLY 225 Ca -0.01 -0.43 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 2hwv n GLY 225 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2hwv s TYR 226 N -4.00 1.61 0.06 1.61 1.51 -0.13 -1.12 117.35 116.89 2hwv s TYR 226 Ca 0.00 -0.46 -0.07 0.00 -1.01 0.00 0.00 57.07 55.53 2hwv s TYR 226 Cb 0.00 -0.86 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 2hwv s TYR 226 CO 0.00 0.19 0.13 1.52 -1.11 0.00 0.00 175.55 176.28 2hwv s TYR 227 N -1.56 0.21 -0.09 2.71 1.13 -0.39 -0.44 117.35 118.92 2hwv s TYR 227 Ca 0.07 -0.58 -0.06 0.00 -1.41 0.00 0.00 57.07 55.09 2hwv s TYR 227 Cb -0.08 -0.13 -0.04 0.00 -1.10 0.00 0.00 41.96 40.61 2hwv s TYR 227 CO 0.04 -0.44 0.16 -1.17 -2.51 0.00 0.00 175.55 171.64 2hwv s LEU 228 N -2.49 4.39 0.07 -3.49 2.96 -1.26 -0.82 118.68 118.03 2hwv s LEU 228 Ca 0.00 0.46 -0.03 0.00 -0.22 0.00 0.00 54.13 54.35 2hwv s LEU 228 Cb 0.02 -2.24 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2hwv s LEU 228 CO -0.08 0.37 0.03 0.00 -1.32 0.00 0.00 176.35 175.35 2hwv s ARG 229 N -1.27 0.70 -0.45 1.98 1.70 0.03 0.09 118.95 121.72 2hwv s ARG 229 Ca 0.19 -1.19 -0.20 0.00 -0.47 0.00 0.00 55.73 54.06 2hwv s ARG 229 Cb -0.12 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.53 2hwv s ARG 229 CO 0.08 -0.16 0.62 1.21 -1.08 0.00 0.00 175.30 175.97 2hwv s ASN 230 N -2.92 6.29 0.00 -2.89 3.84 -1.26 -4.51 114.94 113.49 2hwv s ASN 230 Ca 0.09 -0.49 0.29 0.00 0.21 0.00 0.00 52.86 52.95 2hwv s ASN 230 Cb 0.07 -2.30 1.32 0.00 -0.55 0.00 0.00 41.25 39.79 2hwv s ASN 230 CO -0.09 -0.79 1.93 -0.81 -2.79 0.00 0.00 177.10 174.56 2hwv n PRO 231 N 6.19 0.41 0.00 0.43 -0.04 -1.26 -4.97 135.00 135.76 2hwv n PRO 231 Ca -0.03 -0.07 0.14 0.00 -0.04 0.00 0.00 63.50 63.49 2hwv n PRO 231 Cb 0.47 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.90 2hwv n PRO 231 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85