#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h16 s PRO 164 N 0.00 4.46 0.33 0.00 0.02 -1.26 -4.91 135.00 133.64 3h16 s PRO 164 Ca 0.00 1.88 0.26 0.00 0.02 0.00 0.00 61.00 63.16 3h16 s PRO 164 Cb 0.00 -3.25 1.05 0.00 0.02 0.00 0.00 34.50 32.32 3h16 s PRO 164 CO 0.00 -0.15 1.78 -1.00 -0.33 0.00 0.00 177.00 177.30 3h16 h PRO 165 N 5.61 0.00 -6.34 5.54 0.13 -1.91 -3.44 132.00 131.59 3h16 h PRO 165 Ca -0.44 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.09 3h16 h PRO 165 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.12 3h16 h PRO 165 CO 0.77 0.00 -0.84 -1.01 -0.23 0.00 0.00 178.00 176.68 3h16 s HIS 166 N -3.38 1.93 -0.15 1.56 3.76 -0.62 -5.02 115.29 113.36 3h16 s HIS 166 Ca 0.04 -0.40 -0.11 0.00 -0.15 0.00 0.00 55.06 54.43 3h16 s HIS 166 Cb 0.09 -1.07 -0.24 0.00 1.11 0.00 0.00 32.58 32.47 3h16 s HIS 166 CO 0.45 0.21 0.30 -0.25 -0.85 0.00 0.00 174.74 174.60 3h16 n ASP 167 N 1.19 2.04 -3.81 1.40 8.00 -0.76 -1.99 116.55 122.62 3h16 n ASP 167 Ca -0.19 0.28 -0.13 0.00 0.71 0.00 0.00 54.79 55.46 3h16 n ASP 167 Cb 0.53 -0.89 -0.13 0.00 -0.02 0.00 0.00 41.12 40.60 3h16 n ASP 167 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h16 s ILE 168 N -2.50 -0.01 0.02 0.53 1.01 -0.94 -0.68 121.20 118.63 3h16 s ILE 168 Ca -0.25 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.52 3h16 s ILE 168 Cb 0.07 -0.17 -0.03 0.00 0.01 0.00 0.00 42.46 42.33 3h16 s ILE 168 CO 0.71 0.02 -0.18 0.72 0.00 0.00 0.00 174.94 176.21 3h16 s PHE 169 N 0.38 2.56 -0.42 3.97 -0.71 -1.04 -2.06 117.98 120.64 3h16 s PHE 169 Ca -0.03 -0.26 -0.03 0.00 -1.04 0.00 0.00 56.93 55.57 3h16 s PHE 169 Cb -0.04 -1.49 0.11 0.00 -1.21 0.00 0.00 43.02 40.40 3h16 s PHE 169 CO -0.01 0.22 0.22 0.42 -1.34 0.00 0.00 175.22 174.73 3h16 s ILE 170 N -0.87 3.35 0.17 -4.49 1.01 -0.98 -0.75 121.20 118.63 3h16 s ILE 170 Ca 0.14 -2.11 -0.30 0.00 0.00 0.00 0.00 60.65 58.38 3h16 s ILE 170 Cb -0.10 -3.29 -0.08 0.00 0.01 0.00 0.00 42.46 39.00 3h16 s ILE 170 CO 0.04 -0.71 1.24 -0.55 0.00 0.00 0.00 174.94 174.97 3h16 s SER 171 N 1.78 7.01 0.04 3.58 0.15 0.20 -4.80 113.70 121.66 3h16 s SER 171 Ca 0.09 2.27 -0.27 0.00 0.70 0.00 0.00 55.95 58.73 3h16 s SER 171 Cb -0.23 -2.60 0.09 0.00 -1.71 0.00 0.00 66.02 61.57 3h16 s SER 171 CO -0.04 -0.45 0.82 -1.38 1.20 0.00 0.00 173.24 173.39 3h16 s HIS 172 N 0.17 -0.39 0.12 3.44 -0.00 -1.19 -1.25 115.29 116.19 3h16 s HIS 172 Ca 0.55 0.23 -0.30 0.00 -0.00 0.00 0.00 55.06 55.54 3h16 s HIS 172 Cb -0.34 0.55 -0.06 0.00 -0.00 0.00 0.00 32.58 32.73 3h16 s HIS 172 CO 0.36 -0.63 1.00 0.00 -0.00 0.00 0.00 174.74 175.47 3h16 s ALA 173 N -3.28 3.27 0.34 -1.38 0.00 -1.26 -0.62 121.76 118.84 3h16 s ALA 173 Ca 0.04 0.63 0.15 0.00 0.00 0.00 0.00 51.96 52.79 3h16 s ALA 173 Cb -0.01 -3.30 1.12 0.00 0.00 0.00 0.00 23.12 20.93 3h16 s ALA 173 CO -0.10 -0.07 1.63 0.11 0.00 0.00 0.00 175.76 177.33 3h16 h TRP 174 N 5.51 0.81 -0.19 0.00 5.08 -1.63 0.42 115.95 125.96 3h16 h TRP 174 Ca -0.43 0.04 0.05 0.00 1.08 0.00 0.00 58.89 59.63 3h16 h TRP 174 Cb 1.21 -0.19 -0.01 0.00 -3.00 0.00 0.00 29.16 27.17 3h16 h TRP 174 CO 0.64 -0.28 0.22 0.93 -1.28 0.00 0.00 178.44 178.67 3h16 h GLU 175 N 0.20 0.00 -0.01 0.12 3.07 -1.92 -1.07 114.58 114.98 3h16 h GLU 175 Ca 0.75 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.61 3h16 h GLU 175 Cb 1.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.70 3h16 h GLU 175 CO -0.67 0.00 -0.22 -0.25 -1.40 0.00 0.00 179.01 176.46 3h16 n ASP 176 N -3.73 1.68 0.35 1.42 8.00 0.15 -4.42 116.55 120.00 3h16 n ASP 176 Ca 0.02 -1.35 -0.16 0.00 0.71 0.00 0.00 54.79 54.01 3h16 n ASP 176 Cb 0.34 0.18 -0.08 0.00 -0.02 0.00 0.00 41.12 41.54 3h16 n ASP 176 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3h16 h LYS 177 N 2.28 -0.87 -0.29 -1.24 3.64 -1.22 -2.17 116.57 116.70 3h16 h LYS 177 Ca 0.00 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3h16 h LYS 177 Cb 0.64 0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 3h16 h LYS 177 CO 0.00 -0.54 -0.20 0.00 -2.27 0.00 0.00 179.45 176.44 3h16 h ALA 178 N -0.86 -0.25 -0.05 5.00 0.00 -1.77 -2.65 119.26 118.68 3h16 h ALA 178 Ca -0.09 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h16 h ALA 178 Cb 0.73 1.06 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3h16 h ALA 178 CO 0.15 -0.38 0.00 -0.40 0.00 0.00 0.00 179.25 178.62 3h16 n ASP 179 N -3.73 0.00 0.10 0.00 5.75 -1.25 -4.39 116.55 113.03 3h16 n ASP 179 Ca 0.00 0.54 -0.04 0.00 -0.01 0.00 0.00 54.79 55.28 3h16 n ASP 179 Cb 0.09 -0.49 -0.02 0.00 -1.03 0.00 0.00 41.12 39.67 3h16 n ASP 179 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 3h16 h PHE 180 N 0.00 -0.25 -1.02 2.11 3.57 -1.68 -3.11 116.94 116.56 3h16 h PHE 180 Ca 0.00 -0.01 0.25 0.00 3.53 0.00 0.00 57.97 61.74 3h16 h PHE 180 Cb 0.00 0.08 -0.11 0.00 2.79 0.00 0.00 35.95 38.71 3h16 h PHE 180 CO 0.02 -0.16 0.63 0.28 -2.23 0.00 0.00 178.31 176.86 3h16 h VAL 181 N -0.43 0.55 -0.02 1.41 2.07 -1.49 0.94 116.25 119.27 3h16 h VAL 181 Ca -0.03 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3h16 h VAL 181 Cb 0.21 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 3h16 h VAL 181 CO 0.05 0.09 -0.00 -0.08 0.02 0.00 0.00 177.57 177.65 3h16 h GLU 182 N 0.52 0.04 -0.39 1.57 4.81 -1.61 0.16 114.58 119.67 3h16 h GLU 182 Ca 0.62 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.90 3h16 h GLU 182 Cb 1.32 -0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.64 3h16 h GLU 182 CO -0.39 0.38 0.06 0.00 -0.73 0.00 0.00 179.01 178.33 3h16 h ALA 183 N 0.66 0.41 -0.75 2.92 0.00 -1.08 -0.52 119.26 120.90 3h16 h ALA 183 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h16 h ALA 183 Cb 0.36 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3h16 h ALA 183 CO 0.00 -0.34 0.45 1.25 0.00 0.00 0.00 179.25 180.61 3h16 h LEU 184 N 0.18 0.90 -0.54 0.00 5.85 -0.76 -1.85 115.31 119.10 3h16 h LEU 184 Ca 0.19 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3h16 h LEU 184 Cb 0.24 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3h16 h LEU 184 CO -0.27 0.70 0.21 0.00 -0.34 0.00 0.00 178.44 178.74 3h16 h ALA 185 N 1.24 0.70 0.50 1.25 0.00 0.10 -0.41 119.26 122.64 3h16 h ALA 185 Ca 0.27 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3h16 h ALA 185 Cb -0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3h16 h ALA 185 CO -0.05 0.32 -0.24 1.25 0.00 0.00 0.00 179.25 180.53 3h16 h HIS 186 N 0.73 -0.62 -0.82 0.00 -0.00 -0.93 -1.30 115.15 112.22 3h16 h HIS 186 Ca 0.18 -0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.64 3h16 h HIS 186 Cb 0.21 0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 27.75 3h16 h HIS 186 CO 0.01 -0.37 0.45 1.15 -0.00 0.00 0.00 177.93 179.17 3h16 h THR 187 N -0.72 0.85 -0.30 6.26 2.02 -1.22 0.38 112.91 120.18 3h16 h THR 187 Ca -0.07 -0.25 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 3h16 h THR 187 Cb 0.54 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 3h16 h THR 187 CO 0.11 0.13 0.05 -0.07 0.37 0.00 0.00 175.52 176.11 3h16 h LEU 188 N 0.72 0.47 -0.73 2.58 3.38 -0.94 -2.56 115.31 118.24 3h16 h LEU 188 Ca 0.41 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 3h16 h LEU 188 Cb 0.44 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3h16 h LEU 188 CO -0.28 0.62 0.19 0.03 0.09 0.00 0.00 178.44 179.09 3h16 h ARG 189 N 0.31 1.15 -0.05 1.13 3.08 -0.62 -1.30 114.38 118.08 3h16 h ARG 189 Ca 0.09 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.89 3h16 h ARG 189 Cb 0.35 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 3h16 h ARG 189 CO 0.01 1.00 0.04 0.00 -1.07 0.00 0.00 179.97 179.95 3h16 h ALA 190 N 1.10 1.76 -0.04 0.04 0.00 -0.87 0.18 119.26 121.43 3h16 h ALA 190 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3h16 h ALA 190 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3h16 h ALA 190 CO -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3h16 n ALA 191 N -2.41 2.56 0.00 0.00 0.00 -0.58 -4.93 120.51 115.16 3h16 n ALA 191 Ca -0.02 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.95 3h16 n ALA 191 Cb 0.14 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3h16 n ALA 191 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h16 n GLY 192 N 1.18 0.76 3.85 0.00 0.00 0.63 -5.06 105.19 106.54 3h16 n GLY 192 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3h16 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h16 s ALA 193 N -2.00 3.44 -0.38 4.61 0.00 -0.66 -4.98 121.76 121.79 3h16 s ALA 193 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 3h16 s ALA 193 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 23.12 20.47 3h16 s ALA 193 CO 0.00 0.40 0.42 -2.00 0.00 0.00 0.00 175.76 174.58 3h16 s GLU 194 N -2.59 3.36 -0.05 0.00 -6.30 -1.26 -3.95 118.70 107.90 3h16 s GLU 194 Ca 0.48 -0.53 0.05 0.00 -2.50 0.00 0.00 54.97 52.47 3h16 s GLU 194 Cb -0.12 -3.88 -0.01 0.00 0.00 0.00 0.00 34.13 30.12 3h16 s GLU 194 CO 0.19 -0.69 -0.22 0.08 0.02 0.00 0.00 175.26 174.64 3h16 s VAL 195 N 2.13 1.78 0.04 3.70 1.01 -1.26 -1.83 120.40 125.97 3h16 s VAL 195 Ca 0.13 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.24 3h16 s VAL 195 Cb -0.17 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 3h16 s VAL 195 CO 0.13 0.50 -0.12 -1.66 0.00 0.00 0.00 175.10 173.95 3h16 s TRP 196 N -0.09 1.07 0.00 5.22 1.48 -0.88 -5.01 118.94 120.73 3h16 s TRP 196 Ca -0.03 -0.38 0.00 0.00 -1.06 0.00 0.00 56.10 54.62 3h16 s TRP 196 Cb -0.13 -0.63 0.00 0.00 -1.16 0.00 0.00 33.47 31.56 3h16 s TRP 196 CO 0.03 0.02 0.00 2.48 -4.06 0.00 0.00 176.95 175.42 3h16 n TYR 197 N 1.76 0.00 -0.35 1.66 4.11 -1.26 -2.32 117.16 120.75 3h16 n TYR 197 Ca -0.19 0.00 0.05 0.00 -0.00 0.00 0.00 57.90 57.75 3h16 n TYR 197 Cb 0.55 0.00 0.20 0.00 -0.00 0.00 0.00 39.34 40.09 3h16 n TYR 197 CO 0.00 0.00 0.00 0.22 -0.00 0.00 0.00 176.86 177.08 3h16 h ASP 198 N 0.00 0.92 -0.75 9.48 3.58 -1.95 -1.03 116.42 126.68 3h16 h ASP 198 Ca 0.00 0.03 -0.44 0.00 0.42 0.00 0.00 57.03 57.04 3h16 h ASP 198 Cb 0.05 -0.16 -0.23 0.00 1.72 0.00 0.00 39.33 40.71 3h16 h ASP 198 CO 0.00 0.54 0.57 0.47 -2.88 0.00 0.00 179.24 177.93 3h16 n ASP 199 N -4.60 5.08 -0.18 2.28 10.43 -1.26 -4.02 116.55 124.29 3h16 n ASP 199 Ca 0.17 -3.31 0.02 0.00 2.57 0.00 0.00 54.79 54.23 3h16 n ASP 199 Cb 0.27 -0.87 0.03 0.00 1.84 0.00 0.00 41.12 42.39 3h16 n ASP 199 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3h16 n PHE 200 N -0.56 0.00 -2.57 1.24 3.72 -0.39 -5.05 117.46 113.85 3h16 n PHE 200 Ca 0.46 -0.28 -0.40 0.00 -0.05 0.00 0.00 57.45 57.18 3h16 n PHE 200 Cb 1.06 -0.05 -0.05 0.00 -0.94 0.00 0.00 39.48 39.50 3h16 n PHE 200 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3h16 s SER 201 N -1.05 7.37 0.09 4.37 0.01 -1.25 -3.14 113.70 120.09 3h16 s SER 201 Ca 0.06 2.15 0.07 0.00 1.31 0.00 0.00 55.95 59.54 3h16 s SER 201 Cb 0.05 -2.62 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 3h16 s SER 201 CO 0.01 -0.06 -0.11 -0.76 0.41 0.00 0.00 173.24 172.72 3h16 s LEU 202 N -1.43 2.97 0.06 2.44 1.43 0.21 -4.79 118.68 119.57 3h16 s LEU 202 Ca 0.44 -0.39 0.03 0.00 -1.03 0.00 0.00 54.13 53.18 3h16 s LEU 202 Cb -0.29 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 3h16 s LEU 202 CO 0.37 0.19 -0.09 -0.13 0.23 0.00 0.00 176.35 176.92 3h16 s ARG 203 N -2.07 0.64 0.09 1.70 0.52 -1.26 -1.69 118.95 116.88 3h16 s ARG 203 Ca 0.20 -0.87 -0.36 0.00 -0.52 0.00 0.00 55.73 54.18 3h16 s ARG 203 Cb -0.11 -0.42 -0.17 0.00 0.52 0.00 0.00 34.95 34.76 3h16 s ARG 203 CO 0.12 0.08 1.19 -2.30 0.02 0.00 0.00 175.30 174.41 3h16 n PRO 204 N 1.25 0.79 0.00 3.54 -0.02 -1.26 -0.96 135.00 138.33 3h16 n PRO 204 Ca -0.21 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 3h16 n PRO 204 Cb 0.55 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 3h16 n PRO 204 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h16 n GLY 205 N 2.11 3.04 3.19 -1.23 0.00 -1.26 -5.04 105.19 106.00 3h16 n GLY 205 Ca 0.18 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 3h16 n GLY 205 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h16 n ASP 206 N 1.35 -4.16 -4.36 1.61 8.00 -0.14 -4.87 116.55 113.98 3h16 n ASP 206 Ca 0.00 0.33 -0.46 0.00 0.71 0.00 0.00 54.79 55.37 3h16 n ASP 206 Cb 0.00 -0.94 -0.04 0.00 -0.02 0.00 0.00 41.12 40.12 3h16 n ASP 206 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3h16 s SER 207 N -1.31 6.40 0.29 -2.24 0.15 -1.26 -4.87 113.70 110.85 3h16 s SER 207 Ca 0.49 -1.93 0.03 0.00 0.70 0.00 0.00 55.95 55.25 3h16 s SER 207 Cb -0.25 -2.27 0.63 0.00 -1.71 0.00 0.00 66.02 62.43 3h16 s SER 207 CO 0.74 -0.90 1.81 0.25 1.20 0.00 0.00 173.24 176.34 3h16 h LEU 208 N 9.19 0.87 -0.03 3.45 5.85 -1.89 -1.58 115.31 131.16 3h16 h LEU 208 Ca -0.13 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.66 3h16 h LEU 208 Cb 1.07 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3h16 h LEU 208 CO 0.99 0.40 -0.03 0.03 -0.34 0.00 0.00 178.44 179.49 3h16 h ARG 209 N 0.90 -0.02 -0.65 1.25 2.47 -1.90 -0.51 114.38 115.93 3h16 h ARG 209 Ca 0.53 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.25 3h16 h ARG 209 Cb 0.66 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.95 3h16 h ARG 209 CO -0.31 -0.01 0.38 0.00 0.56 0.00 0.00 179.97 180.59 3h16 h ARG 210 N -0.02 0.88 -0.86 0.04 3.08 -1.87 -2.33 114.38 113.30 3h16 h ARG 210 Ca 0.01 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.01 3h16 h ARG 210 Cb 0.03 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 29.85 3h16 h ARG 210 CO -0.04 0.63 0.55 1.03 -1.07 0.00 0.00 179.97 181.07 3h16 h SER 211 N 0.90 0.92 -0.33 7.04 0.87 -0.83 -0.89 113.55 121.23 3h16 h SER 211 Ca 0.23 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.71 3h16 h SER 211 Cb -0.02 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.72 3h16 h SER 211 CO -0.04 0.64 -0.09 0.40 -0.53 0.00 0.00 176.83 177.21 3h16 h ILE 212 N 1.08 1.28 -0.12 2.23 1.08 -0.58 -1.13 117.51 121.35 3h16 h ILE 212 Ca 0.34 -1.14 0.03 0.00 -0.39 0.00 0.00 64.86 63.69 3h16 h ILE 212 Cb -0.01 1.35 -0.03 0.00 -3.07 0.00 0.00 36.82 35.07 3h16 h ILE 212 CO -0.11 0.37 -0.05 0.44 -0.69 0.00 0.00 178.15 178.11 3h16 h ASP 213 N 0.42 -0.16 0.31 1.72 3.32 -1.04 0.38 116.42 121.36 3h16 h ASP 213 Ca 0.08 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3h16 h ASP 213 Cb 0.59 0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.20 3h16 h ASP 213 CO 0.03 -0.06 -0.39 0.50 -1.72 0.00 0.00 179.24 177.60 3h16 h LYS 214 N -0.03 -0.72 -0.98 3.56 3.64 -1.11 0.72 116.57 121.65 3h16 h LYS 214 Ca 0.06 0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.64 3h16 h LYS 214 Cb 0.12 0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.01 3h16 h LYS 214 CO -0.14 -0.48 0.60 0.78 -2.27 0.00 0.00 179.45 177.94 3h16 h GLY 215 N -0.75 1.66 2.00 5.01 0.00 -0.92 0.13 103.07 110.21 3h16 h GLY 215 Ca -0.02 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3h16 h GLY 215 CO -0.11 0.05 0.00 1.41 0.00 0.00 0.00 176.54 177.88 3h16 h LEU 216 N 0.86 0.00 -0.70 3.11 3.38 -0.48 -1.96 115.31 119.51 3h16 h LEU 216 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3h16 h LEU 216 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3h16 h LEU 216 CO -0.32 0.00 0.00 1.23 0.09 0.00 0.00 178.44 179.44 3h16 h GLY 217 N 3.89 0.00 0.00 0.83 0.00 0.12 -3.32 103.07 104.60 3h16 h GLY 217 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3h16 h GLY 217 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 176.54 177.98 3h16 n SER 218 N -2.91 0.43 -4.52 0.19 7.64 -1.20 -5.00 113.62 108.24 3h16 n SER 218 Ca 0.03 -0.93 -0.24 0.00 1.01 0.00 0.00 58.87 58.73 3h16 n SER 218 Cb 0.39 0.04 -0.10 0.00 -1.01 0.00 0.00 64.21 63.54 3h16 n SER 218 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h16 s SER 219 N -0.04 3.79 -0.13 6.43 0.01 -0.74 -1.59 113.70 121.43 3h16 s SER 219 Ca 0.00 -1.02 -0.23 0.00 1.31 0.00 0.00 55.95 56.01 3h16 s SER 219 Cb 0.00 -0.40 -0.26 0.00 0.21 0.00 0.00 66.02 65.58 3h16 s SER 219 CO 0.00 -0.05 0.63 0.03 0.41 0.00 0.00 173.24 174.26 3h16 h ARG 220 N 2.12 0.11 -4.86 12.44 3.08 -0.96 -3.44 114.38 122.87 3h16 h ARG 220 Ca -0.41 -0.18 -0.29 0.00 0.07 0.00 0.00 59.98 59.17 3h16 h ARG 220 Cb 1.26 0.07 -0.15 0.00 0.08 0.00 0.00 29.97 31.23 3h16 h ARG 220 CO 0.63 1.09 -0.69 -0.06 -1.07 0.00 0.00 179.97 179.87 3h16 s PHE 221 N -2.34 1.16 0.12 3.04 0.08 0.14 -4.93 117.98 115.25 3h16 s PHE 221 Ca -0.20 -0.91 0.06 0.00 0.12 0.00 0.00 56.93 56.00 3h16 s PHE 221 Cb 0.01 -0.64 -0.04 0.00 -0.57 0.00 0.00 43.02 41.78 3h16 s PHE 221 CO 0.71 -0.09 -0.15 0.20 -0.10 0.00 0.00 175.22 175.78 3h16 s GLY 222 N -3.15 1.09 0.01 4.36 0.00 0.21 -2.50 107.32 107.34 3h16 s GLY 222 Ca 0.19 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.72 3h16 s GLY 222 CO 0.01 -1.31 -0.22 -0.42 0.00 0.00 0.00 173.10 171.16 3h16 s ILE 223 N -1.90 1.72 -0.11 0.90 1.01 0.07 -0.04 121.20 122.86 3h16 s ILE 223 Ca 0.08 -1.05 0.01 0.00 0.00 0.00 0.00 60.65 59.69 3h16 s ILE 223 Cb -0.06 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 40.97 3h16 s ILE 223 CO 0.03 0.38 -0.12 0.54 0.00 0.00 0.00 174.94 175.77 3h16 s VAL 224 N -0.62 1.30 -0.43 2.92 0.11 -0.26 0.60 120.40 124.02 3h16 s VAL 224 Ca 0.08 -0.50 -0.26 0.00 -2.93 0.00 0.00 61.98 58.37 3h16 s VAL 224 Cb -0.09 -1.23 0.02 0.00 -1.53 0.00 0.00 36.38 33.56 3h16 s VAL 224 CO 0.00 0.41 0.97 -0.69 -3.33 0.00 0.00 175.10 172.46 3h16 s VAL 225 N 1.22 4.45 -0.60 2.04 1.01 -0.38 -1.28 120.40 126.86 3h16 s VAL 225 Ca -0.03 0.99 -0.20 0.00 0.00 0.00 0.00 61.98 62.75 3h16 s VAL 225 Cb -0.14 -4.44 0.09 0.00 0.00 0.00 0.00 36.38 31.89 3h16 s VAL 225 CO -0.04 -0.78 0.76 -0.76 0.00 0.00 0.00 175.10 174.28 3h16 s LEU 226 N 3.81 5.15 0.32 3.92 1.43 -0.04 -4.69 118.68 128.58 3h16 s LEU 226 Ca 0.40 -1.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.22 3h16 s LEU 226 Cb -0.10 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.74 3h16 s LEU 226 CO 0.25 -1.18 0.12 -0.94 0.23 0.00 0.00 176.35 174.83 3h16 s SER 227 N 3.59 1.89 0.25 2.29 1.04 -1.26 -1.32 113.70 120.18 3h16 s SER 227 Ca 0.14 -1.50 -0.03 0.00 0.48 0.00 0.00 55.95 55.03 3h16 s SER 227 Cb -0.22 0.26 0.45 0.00 0.10 0.00 0.00 66.02 66.60 3h16 s SER 227 CO 0.07 -0.80 1.78 0.74 0.98 0.00 0.00 173.24 176.02 3h16 h THR 228 N 2.15 0.82 -0.99 2.02 2.02 -1.86 0.23 112.91 117.29 3h16 h THR 228 Ca -0.37 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 66.61 3h16 h THR 228 Cb 1.25 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 3h16 h THR 228 CO 0.59 0.12 0.65 0.45 0.37 0.00 0.00 175.52 177.70 3h16 h HIS 229 N 0.68 1.23 0.00 3.16 3.86 -1.96 0.27 115.15 122.39 3h16 h HIS 229 Ca 0.42 0.03 -0.11 0.00 -1.16 0.00 0.00 60.37 59.55 3h16 h HIS 229 Cb 0.49 -0.41 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3h16 h HIS 229 CO -0.08 0.72 -0.52 0.35 0.86 0.00 0.00 177.93 179.26 3h16 h PHE 230 N 1.28 0.00 0.02 2.45 3.04 -1.51 -3.21 116.94 119.01 3h16 h PHE 230 Ca 0.39 0.00 -0.27 0.00 3.98 0.00 0.00 57.97 62.07 3h16 h PHE 230 Cb -0.04 0.00 0.02 0.00 2.56 0.00 0.00 35.95 38.49 3h16 h PHE 230 CO -0.00 0.52 -1.07 0.74 -2.02 0.00 0.00 178.31 176.48 3h16 h PHE 231 N 0.00 1.00 0.00 0.41 0.04 0.30 -3.22 116.94 115.46 3h16 h PHE 231 Ca -0.01 -0.56 0.00 0.00 2.80 0.00 0.00 57.97 60.21 3h16 h PHE 231 Cb 1.14 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 39.18 3h16 h PHE 231 CO 0.00 1.39 0.00 1.63 -0.60 0.00 0.00 178.31 180.73 3h16 n LYS 232 N -3.83 0.54 0.05 1.51 5.02 0.83 -2.67 118.16 119.61 3h16 n LYS 232 Ca -0.11 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.30 3h16 n LYS 232 Cb 0.90 -1.00 0.28 0.00 -0.02 0.00 0.00 35.03 35.18 3h16 n LYS 232 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3h16 n LYS 233 N -0.49 0.18 -3.24 1.97 4.76 -1.22 -4.99 118.16 115.14 3h16 n LYS 233 Ca 0.00 0.07 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 3h16 n LYS 233 Cb 0.00 -1.64 0.06 0.00 -1.84 0.00 0.00 35.03 31.61 3h16 n LYS 233 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3h16 n GLU 234 N -1.91 -2.05 -2.84 1.97 1.02 -1.09 -4.56 120.64 111.17 3h16 n GLU 234 Ca 0.05 0.96 -0.40 0.00 -0.02 0.00 0.00 57.16 57.75 3h16 n GLU 234 Cb 0.40 -5.75 -0.05 0.00 -0.02 0.00 0.00 31.44 26.02 3h16 n GLU 234 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3h16 s TRP 235 N -3.32 3.88 0.76 -0.32 0.52 -1.26 -4.92 118.94 114.27 3h16 s TRP 235 Ca 0.38 1.74 -0.11 0.00 0.02 0.00 0.00 56.10 58.13 3h16 s TRP 235 Cb -0.05 -2.92 0.05 0.00 -1.15 0.00 0.00 33.47 29.40 3h16 s TRP 235 CO 0.75 0.38 1.09 -2.14 0.02 0.00 0.00 176.95 177.04 3h16 s PRO 236 N -0.67 2.34 0.22 4.98 0.02 -1.26 -4.88 135.00 135.75 3h16 s PRO 236 Ca 0.41 1.18 -0.07 0.00 0.02 0.00 0.00 61.00 62.53 3h16 s PRO 236 Cb -0.24 -1.91 0.31 0.00 0.02 0.00 0.00 34.50 32.69 3h16 s PRO 236 CO 0.28 -1.58 1.79 0.37 -0.33 0.00 0.00 177.00 177.53 3h16 h GLN 237 N -1.00 0.64 0.00 5.54 5.75 -1.98 0.09 115.11 124.14 3h16 h GLN 237 Ca -0.44 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3h16 h GLN 237 Cb 1.23 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.64 3h16 h GLN 237 CO 0.52 0.42 0.00 -0.22 -2.65 0.00 0.00 178.83 176.90 3h16 h LYS 238 N 0.66 0.00 0.00 1.69 3.64 -2.02 -0.30 116.57 120.24 3h16 h LYS 238 Ca 0.34 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.63 3h16 h LYS 238 Cb 0.31 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3h16 h LYS 238 CO -0.24 0.00 -1.21 -1.91 -2.27 0.00 0.00 179.45 173.82 3h16 n GLU 239 N -2.42 0.61 0.03 1.90 4.07 0.00 -4.08 120.64 120.76 3h16 n GLU 239 Ca -0.01 0.18 -0.11 0.00 -0.06 0.00 0.00 57.16 57.16 3h16 n GLU 239 Cb 0.06 -1.82 -0.13 0.00 -0.06 0.00 0.00 31.44 29.49 3h16 n GLU 239 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3h16 h LEU 240 N 0.00 0.12 -1.02 4.31 3.38 -0.90 -3.37 115.31 117.84 3h16 h LEU 240 Ca -0.09 -0.18 0.38 0.00 0.09 0.00 0.00 57.88 58.09 3h16 h LEU 240 Cb 1.31 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.86 3h16 h LEU 240 CO 0.02 1.15 0.56 0.44 0.09 0.00 0.00 178.44 180.71 3h16 h ASP 241 N 0.02 0.40 0.71 -0.43 3.32 -1.56 0.10 116.42 118.99 3h16 h ASP 241 Ca -0.19 0.23 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3h16 h ASP 241 Cb 1.94 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.69 3h16 h ASP 241 CO 0.12 -0.30 -0.29 1.23 -1.72 0.00 0.00 179.24 178.28 3h16 h GLY 242 N 0.14 0.00 0.72 2.75 0.00 -1.82 -3.13 103.07 101.73 3h16 h GLY 242 Ca 0.80 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.13 3h16 h GLY 242 CO -0.69 0.00 0.00 -0.10 0.00 0.00 0.00 176.54 175.75 3h16 n LEU 243 N -3.58 0.00 -0.01 3.11 7.94 0.35 -2.70 117.00 122.10 3h16 n LEU 243 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3h16 n LEU 243 Cb 0.42 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.34 3h16 n LEU 243 CO 0.35 0.00 -0.60 0.49 -1.11 0.00 0.00 177.39 176.51 3h16 n PHE 244 N -0.86 0.00 -0.50 1.96 3.72 -1.18 -4.88 117.46 115.72 3h16 n PHE 244 Ca 0.06 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.27 3h16 n PHE 244 Cb 0.03 -0.17 -0.02 0.00 -0.94 0.00 0.00 39.48 38.37 3h16 n PHE 244 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3h16 n GLN 245 N -1.91 0.00 -4.27 -1.08 7.27 -1.10 -4.92 117.38 111.38 3h16 n GLN 245 Ca -0.04 0.00 -0.27 0.00 0.07 0.00 0.00 57.00 56.76 3h16 n GLN 245 Cb 0.37 -0.46 -0.09 0.00 2.41 0.00 0.00 30.24 32.48 3h16 n GLN 245 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3h16 s LEU 246 N 0.29 3.02 0.42 1.69 1.02 -1.26 -4.10 118.68 119.76 3h16 s LEU 246 Ca 0.28 -0.53 0.08 0.00 0.02 0.00 0.00 54.13 53.98 3h16 s LEU 246 Cb -0.39 -1.72 -0.00 0.00 0.02 0.00 0.00 46.19 44.09 3h16 s LEU 246 CO 0.19 0.11 0.49 -1.61 0.02 0.00 0.00 176.35 175.56 3h16 s GLU 247 N -2.75 2.72 0.30 1.70 0.41 0.86 -4.98 118.70 116.97 3h16 s GLU 247 Ca 0.25 -1.35 0.06 0.00 -0.41 0.00 0.00 54.97 53.52 3h16 s GLU 247 Cb -0.09 -2.61 0.78 0.00 -1.78 0.00 0.00 34.13 30.42 3h16 s GLU 247 CO 0.15 -0.23 1.73 0.77 -0.49 0.00 0.00 175.26 177.19 3h16 h SER 248 N 0.80 0.56 0.03 -0.19 0.02 -2.01 0.38 113.55 113.13 3h16 h SER 248 Ca -0.41 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 3h16 h SER 248 Cb 1.27 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.87 3h16 h SER 248 CO 0.50 0.10 0.00 -1.54 -1.14 0.00 0.00 176.83 174.75 3h16 n SER 249 N -4.92 0.03 0.00 3.07 3.41 -1.26 -4.75 113.62 109.19 3h16 n SER 249 Ca 0.24 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 3h16 n SER 249 Cb 0.66 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 3h16 n SER 249 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h16 n GLY 250 N -1.41 1.81 3.91 5.00 0.00 0.13 -5.02 105.19 109.61 3h16 n GLY 250 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 3h16 n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h16 s ARG 251 N -0.54 3.59 0.10 1.61 0.52 -1.25 -4.71 118.95 118.27 3h16 s ARG 251 Ca 0.00 0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.29 3h16 s ARG 251 Cb 0.00 -2.52 -0.04 0.00 0.52 0.00 0.00 34.95 32.92 3h16 s ARG 251 CO 0.00 0.01 0.22 -1.54 0.02 0.00 0.00 175.30 174.02 3h16 s SER 252 N -3.70 6.23 0.00 0.23 1.04 -1.26 -0.10 113.70 116.15 3h16 s SER 252 Ca 0.45 0.18 0.27 0.00 0.48 0.00 0.00 55.95 57.34 3h16 s SER 252 Cb -0.10 -1.87 0.87 0.00 0.10 0.00 0.00 66.02 65.01 3h16 s SER 252 CO 0.37 0.12 1.64 0.54 0.98 0.00 0.00 173.24 176.88 3h16 n ARG 253 N -0.07 1.65 -4.06 4.02 1.74 -1.26 -4.70 116.66 113.98 3h16 n ARG 253 Ca -0.06 -1.04 -0.32 0.00 -0.77 0.00 0.00 57.85 55.65 3h16 n ARG 253 Cb 0.52 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.34 3h16 n ARG 253 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3h16 s ILE 254 N -2.07 2.26 -0.27 0.55 1.01 -1.26 0.64 121.20 122.06 3h16 s ILE 254 Ca 0.34 -1.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.36 3h16 s ILE 254 Cb 0.21 -2.28 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 3h16 s ILE 254 CO 0.36 0.03 0.24 -0.76 0.00 0.00 0.00 174.94 174.81 3h16 s LEU 255 N 1.14 4.04 0.26 2.97 1.43 0.95 -4.95 118.68 124.52 3h16 s LEU 255 Ca -0.07 0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 3h16 s LEU 255 Cb -0.19 -2.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.75 3h16 s LEU 255 CO -0.05 -0.07 0.60 -2.16 0.23 0.00 0.00 176.35 174.89 3h16 s PRO 256 N 1.74 3.85 -0.18 1.29 0.04 -1.26 -1.10 135.00 139.38 3h16 s PRO 256 Ca 0.09 0.37 -0.02 0.00 0.04 0.00 0.00 61.00 61.48 3h16 s PRO 256 Cb -0.16 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.85 3h16 s PRO 256 CO 0.10 0.27 0.01 0.42 0.04 0.00 0.00 177.00 177.84 3h16 s ILE 257 N -1.87 0.68 0.17 0.56 1.01 -0.40 -2.43 121.20 118.92 3h16 s ILE 257 Ca 0.49 -0.57 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 3h16 s ILE 257 Cb -0.11 -1.09 -0.08 0.00 0.01 0.00 0.00 42.46 41.19 3h16 s ILE 257 CO 0.21 -0.12 1.23 0.26 0.00 0.00 0.00 174.94 176.51 3h16 s TRP 258 N 1.80 3.39 -0.17 3.97 0.52 0.73 -0.86 118.94 128.32 3h16 s TRP 258 Ca -0.01 1.36 -0.04 0.00 0.02 0.00 0.00 56.10 57.43 3h16 s TRP 258 Cb -0.17 -3.47 0.06 0.00 -1.15 0.00 0.00 33.47 28.74 3h16 s TRP 258 CO -0.07 -1.38 0.06 -1.58 0.02 0.00 0.00 176.95 173.99 3h16 s HIS 259 N 0.12 0.60 -1.36 -1.98 2.46 -0.43 -1.83 115.29 112.87 3h16 s HIS 259 Ca 0.54 -0.52 -0.06 0.00 0.47 0.00 0.00 55.06 55.49 3h16 s HIS 259 Cb -0.33 -0.84 0.04 0.00 -0.13 0.00 0.00 32.58 31.32 3h16 s HIS 259 CO 0.36 -0.53 0.45 1.63 -2.47 0.00 0.00 174.74 174.18 3h16 n LYS 260 N 5.17 -3.69 -4.36 2.88 5.02 -1.26 -4.44 118.16 117.48 3h16 n LYS 260 Ca -0.08 0.65 -0.27 0.00 -2.02 0.00 0.00 58.31 56.60 3h16 n LYS 260 Cb 0.48 -5.40 -0.13 0.00 -0.02 0.00 0.00 35.03 29.97 3h16 n LYS 260 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3h16 s VAL 261 N -2.97 2.11 0.27 -0.18 -7.23 -1.26 -4.76 120.40 106.38 3h16 s VAL 261 Ca 0.30 -1.74 -0.04 0.00 -1.81 0.00 0.00 61.98 58.69 3h16 s VAL 261 Cb -0.15 -1.89 -0.05 0.00 0.56 0.00 0.00 36.38 34.85 3h16 s VAL 261 CO 0.37 0.01 0.52 -0.94 -0.31 0.00 0.00 175.10 174.75 3h16 s SER 262 N -2.12 6.42 0.20 4.85 1.04 -1.26 -4.98 113.70 117.86 3h16 s SER 262 Ca 0.13 0.63 -0.11 0.00 0.48 0.00 0.00 55.95 57.08 3h16 s SER 262 Cb -0.10 -2.11 0.14 0.00 0.10 0.00 0.00 66.02 64.05 3h16 s SER 262 CO 0.06 -0.17 1.84 0.50 0.98 0.00 0.00 173.24 176.45 3h16 h LYS 263 N 1.68 0.97 -0.61 4.02 3.64 -1.98 0.10 116.57 124.39 3h16 h LYS 263 Ca -0.48 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 3h16 h LYS 263 Cb 1.19 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.78 3h16 h LYS 263 CO 0.66 0.69 0.29 -0.44 -2.27 0.00 0.00 179.45 178.38 3h16 h ASP 264 N 0.98 0.77 -0.45 4.20 3.45 -1.98 0.22 116.42 123.60 3h16 h ASP 264 Ca 0.26 -0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.61 3h16 h ASP 264 Cb -0.04 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.52 3h16 h ASP 264 CO -0.05 0.66 0.16 -0.08 -1.57 0.00 0.00 179.24 178.37 3h16 h GLU 265 N 0.86 0.69 0.39 3.56 4.81 -1.71 -1.13 114.58 122.05 3h16 h GLU 265 Ca 0.21 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3h16 h GLU 265 Cb 0.10 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3h16 h GLU 265 CO -0.03 0.65 -0.19 0.28 -0.73 0.00 0.00 179.01 178.99 3h16 h VAL 266 N 0.59 0.62 -1.01 0.32 2.07 0.13 -2.59 116.25 116.39 3h16 h VAL 266 Ca 0.15 -0.20 0.23 0.00 0.82 0.00 0.00 66.70 67.69 3h16 h VAL 266 Cb 0.23 0.72 -0.11 0.00 -1.52 0.00 0.00 31.29 30.60 3h16 h VAL 266 CO -0.01 0.04 0.61 0.00 0.02 0.00 0.00 177.57 178.23 3h16 h ALA 267 N -0.07 1.79 -0.77 1.67 0.00 -0.46 0.21 119.26 121.63 3h16 h ALA 267 Ca -0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h16 h ALA 267 Cb 0.47 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3h16 h ALA 267 CO 0.09 -0.22 0.50 0.77 0.00 0.00 0.00 179.25 180.39 3h16 h SER 268 N 0.63 0.89 0.03 0.00 0.02 -0.84 -2.87 113.55 111.42 3h16 h SER 268 Ca 0.61 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 61.46 3h16 h SER 268 Cb 1.12 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.45 3h16 h SER 268 CO -0.42 0.66 -0.31 0.15 -1.14 0.00 0.00 176.83 175.77 3h16 h PHE 269 N 1.05 0.27 -1.22 3.45 3.57 -0.37 -3.46 116.94 120.22 3h16 h PHE 269 Ca 0.28 -0.16 0.01 0.00 3.53 0.00 0.00 57.97 61.63 3h16 h PHE 269 Cb -0.10 -0.02 -0.23 0.00 2.79 0.00 0.00 35.95 38.38 3h16 h PHE 269 CO 0.00 1.03 -0.35 0.45 -2.23 0.00 0.00 178.31 177.21 3h16 s SER 270 N -6.43 -0.99 0.18 0.41 0.15 0.25 -5.06 113.70 102.22 3h16 s SER 270 Ca -0.16 0.53 -0.15 0.00 0.70 0.00 0.00 55.95 56.87 3h16 s SER 270 Cb 0.00 1.86 0.17 0.00 -1.71 0.00 0.00 66.02 66.34 3h16 s SER 270 CO 0.75 -0.28 1.68 -0.65 1.20 0.00 0.00 173.24 175.93 3h16 h PRO 271 N 8.05 0.08 -0.84 5.44 0.11 -1.73 -1.88 132.00 141.22 3h16 h PRO 271 Ca -0.17 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.97 3h16 h PRO 271 Cb 1.16 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 3h16 h PRO 271 CO 0.24 0.05 0.54 1.15 -0.21 0.00 0.00 178.00 179.77 3h16 h THR 272 N 0.08 1.12 -0.11 -1.15 2.02 -1.95 -2.16 112.91 110.76 3h16 h THR 272 Ca 0.24 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 67.01 3h16 h THR 272 Cb 0.36 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 3h16 h THR 272 CO -0.42 0.19 -0.18 -0.03 0.37 0.00 0.00 175.52 175.45 3h16 h MET 273 N 1.04 0.19 0.00 6.66 -1.53 -1.73 -2.60 114.93 116.95 3h16 h MET 273 Ca 0.34 -0.05 0.00 0.00 -3.44 0.00 0.00 59.70 56.56 3h16 h MET 273 Cb 0.04 -0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.06 3h16 h MET 273 CO -0.13 0.37 0.00 0.00 0.14 0.00 0.00 176.91 177.29 3h16 n ALA 274 N -2.49 1.76 0.49 0.39 0.00 -0.81 -2.60 120.51 117.24 3h16 n ALA 274 Ca -0.01 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.53 3h16 n ALA 274 Cb 0.29 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.40 3h16 n ALA 274 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3h16 n ASP 275 N -2.08 1.73 -4.64 0.00 8.00 -0.99 -4.94 116.55 113.63 3h16 n ASP 275 Ca 0.03 -1.37 -0.40 0.00 0.71 0.00 0.00 54.79 53.76 3h16 n ASP 275 Cb 0.25 0.17 -0.06 0.00 -0.02 0.00 0.00 41.12 41.46 3h16 n ASP 275 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3h16 s LYS 276 N -1.16 4.15 0.31 -1.24 2.20 -1.07 -5.01 119.74 117.92 3h16 s LYS 276 Ca 0.12 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 56.04 3h16 s LYS 276 Cb 0.10 -3.62 -0.11 0.00 -1.51 0.00 0.00 37.83 32.68 3h16 s LYS 276 CO 0.20 -0.35 1.58 1.28 -0.36 0.00 0.00 175.35 177.70 3h16 n LEU 277 N 5.48 4.50 -4.15 5.43 4.77 -1.26 -4.98 117.00 126.79 3h16 n LEU 277 Ca -0.00 1.16 -0.17 0.00 -0.03 0.00 0.00 56.01 56.97 3h16 n LEU 277 Cb 0.49 -1.61 -0.05 0.00 -2.33 0.00 0.00 43.42 39.93 3h16 n LEU 277 CO 0.44 0.18 0.08 0.00 -1.33 0.00 0.00 177.39 176.76 3h16 s ALA 278 N -0.22 1.15 0.25 -1.18 0.00 -1.26 -4.95 121.76 115.54 3h16 s ALA 278 Ca 0.62 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.66 3h16 s ALA 278 Cb -0.49 1.25 -0.09 0.00 0.00 0.00 0.00 23.12 23.80 3h16 s ALA 278 CO 0.51 -0.76 0.76 -0.06 0.00 0.00 0.00 175.76 176.21 3h16 s PHE 279 N -3.05 3.62 -0.11 0.00 0.08 -1.02 -4.95 117.98 112.55 3h16 s PHE 279 Ca 0.34 1.42 -0.02 0.00 0.12 0.00 0.00 56.93 58.79 3h16 s PHE 279 Cb 0.00 -2.65 0.04 0.00 -0.57 0.00 0.00 43.02 39.84 3h16 s PHE 279 CO 0.24 0.29 0.01 1.21 -0.10 0.00 0.00 175.22 176.87 3h16 s ASN 280 N -1.72 2.03 0.00 1.36 3.84 -1.26 -0.20 114.94 119.00 3h16 s ASN 280 Ca 0.45 -0.33 0.13 0.00 0.21 0.00 0.00 52.86 53.33 3h16 s ASN 280 Cb -0.16 -0.49 0.74 0.00 -0.55 0.00 0.00 41.25 40.78 3h16 s ASN 280 CO 0.21 -0.23 1.30 0.35 -2.79 0.00 0.00 177.10 175.93 3h16 n THR 281 N 5.12 0.34 0.60 -5.21 -2.24 -0.76 -1.16 114.28 110.97 3h16 n THR 281 Ca -0.08 0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 3h16 n THR 281 Cb 0.49 -0.87 0.13 0.00 -2.10 0.00 0.00 70.33 67.98 3h16 n THR 281 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3h16 n SER 282 N -1.15 0.65 0.00 3.42 2.88 -1.26 -4.11 113.62 114.05 3h16 n SER 282 Ca 0.08 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 3h16 n SER 282 Cb 0.08 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 3h16 n SER 282 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3h16 n THR 283 N -2.01 0.00 -3.85 2.46 -2.24 -0.31 -5.03 114.28 103.30 3h16 n THR 283 Ca 0.03 -0.50 -0.12 0.00 -2.27 0.00 0.00 64.05 61.19 3h16 n THR 283 Cb 0.43 1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.55 3h16 n THR 283 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3h16 s LYS 284 N -0.99 0.38 0.88 -0.78 1.02 -0.56 -5.04 119.74 114.66 3h16 s LYS 284 Ca 0.00 -0.15 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 3h16 s LYS 284 Cb 0.00 0.16 0.12 0.00 -0.52 0.00 0.00 37.83 37.59 3h16 s LYS 284 CO 0.00 -0.08 1.12 -1.54 -0.92 0.00 0.00 175.35 173.93 3h16 s SER 285 N -0.82 3.76 0.40 2.83 1.04 -1.26 -4.26 113.70 115.39 3h16 s SER 285 Ca -0.09 1.07 0.08 0.00 0.48 0.00 0.00 55.95 57.49 3h16 s SER 285 Cb -0.05 -1.69 0.82 0.00 0.10 0.00 0.00 66.02 65.20 3h16 s SER 285 CO 0.01 -2.41 1.98 0.58 0.98 0.00 0.00 173.24 174.39 3h16 h VAL 286 N -1.39 1.14 -0.23 5.02 2.07 -1.97 -1.70 116.25 119.18 3h16 h VAL 286 Ca -0.50 -0.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.53 3h16 h VAL 286 Cb 1.31 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 3h16 h VAL 286 CO 0.61 0.17 0.08 0.44 0.02 0.00 0.00 177.57 178.89 3h16 h ASP 287 N 0.40 0.33 -0.54 0.57 3.32 -1.98 0.19 116.42 118.71 3h16 h ASP 287 Ca 0.10 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.95 3h16 h ASP 287 Cb 0.16 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3h16 h ASP 287 CO -0.00 0.44 0.32 -0.33 -1.72 0.00 0.00 179.24 177.95 3h16 h GLU 288 N 0.21 0.73 -0.78 3.56 5.08 -1.84 0.11 114.58 121.65 3h16 h GLU 288 Ca 0.07 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 3h16 h GLU 288 Cb 0.22 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3h16 h GLU 288 CO -0.00 0.53 0.38 0.82 -1.00 0.00 0.00 179.01 179.74 3h16 h ILE 289 N 0.72 1.24 -0.51 3.13 2.04 -1.10 -1.80 117.51 121.23 3h16 h ILE 289 Ca 0.19 -0.67 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 3h16 h ILE 289 Cb -0.01 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.30 3h16 h ILE 289 CO -0.04 0.29 0.09 0.58 0.00 0.00 0.00 178.15 179.07 3h16 h VAL 290 N 1.09 1.23 -0.64 1.67 2.07 0.12 -0.32 116.25 121.47 3h16 h VAL 290 Ca 0.27 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 3h16 h VAL 290 Cb 0.10 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3h16 h VAL 290 CO -0.04 0.31 0.28 0.00 0.02 0.00 0.00 177.57 178.15 3h16 h ALA 291 N 1.33 0.83 -0.66 1.67 0.00 -0.19 -0.24 119.26 122.00 3h16 h ALA 291 Ca 0.16 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3h16 h ALA 291 Cb 0.34 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3h16 h ALA 291 CO 0.00 0.42 0.30 -0.44 0.00 0.00 0.00 179.25 179.53 3h16 h ASP 292 N 0.89 0.87 -0.52 0.00 3.32 -0.67 -1.22 116.42 119.08 3h16 h ASP 292 Ca 0.22 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.04 3h16 h ASP 292 Cb 0.16 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3h16 h ASP 292 CO -0.02 0.77 0.04 -0.07 -1.72 0.00 0.00 179.24 178.24 3h16 h LEU 293 N 0.91 0.91 -0.83 1.55 3.38 -0.67 -0.80 115.31 119.76 3h16 h LEU 293 Ca 0.22 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3h16 h LEU 293 Cb 0.15 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3h16 h LEU 293 CO -0.03 0.95 -0.31 0.24 0.09 0.00 0.00 178.44 179.38 3h16 h MET 294 N 0.88 0.51 -0.57 1.13 2.86 -0.84 0.34 114.93 119.25 3h16 h MET 294 Ca 0.17 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3h16 h MET 294 Cb 0.47 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 3h16 h MET 294 CO 0.02 0.77 0.20 0.00 1.06 0.00 0.00 176.91 178.95 3h16 h ALA 295 N 1.23 0.74 -0.14 6.32 0.00 -0.71 -1.15 119.26 125.55 3h16 h ALA 295 Ca 0.05 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 3h16 h ALA 295 Cb 0.76 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3h16 h ALA 295 CO 0.06 0.38 -0.42 0.82 0.00 0.00 0.00 179.25 180.10 3h16 h ILE 296 N 0.79 1.31 -0.34 0.00 2.04 -0.78 0.96 117.51 121.49 3h16 h ILE 296 Ca 0.18 -1.56 -0.09 0.00 1.00 0.00 0.00 64.86 64.40 3h16 h ILE 296 Cb 0.25 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 3h16 h ILE 296 CO -0.01 0.47 -0.16 0.40 0.00 0.00 0.00 178.15 178.86 3h16 h ILE 297 N 0.27 1.29 0.00 -0.67 2.04 -0.61 -3.38 117.51 116.44 3h16 h ILE 297 Ca 0.02 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 64.62 3h16 h ILE 297 Cb 0.85 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3h16 h ILE 297 CO 0.07 0.41 -0.01 0.03 0.00 0.00 0.00 178.15 178.65 3h16 h ARG 298 N 0.47 0.00 0.00 2.37 3.08 -1.08 -3.51 114.38 115.71 3h16 h ARG 298 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3h16 h ARG 298 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3h16 h ARG 298 CO 0.05 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.70