#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ne8 s SER 179 N 0.00 7.12 0.15 0.00 0.01 -1.26 -4.90 113.70 114.82 3ne8 s SER 179 Ca 0.00 1.46 -0.30 0.00 1.31 0.00 0.00 55.95 58.42 3ne8 s SER 179 Cb 0.00 -2.54 -0.07 0.00 0.21 0.00 0.00 66.02 63.62 3ne8 s SER 179 CO 0.00 -0.62 1.02 0.12 0.41 0.00 0.00 173.24 174.17 3ne8 s PHE 180 N 2.88 3.74 -0.23 2.43 5.36 0.22 -4.78 117.98 127.60 3ne8 s PHE 180 Ca 0.46 1.72 -0.06 0.00 -0.96 0.00 0.00 56.93 58.10 3ne8 s PHE 180 Cb -0.17 -3.14 -0.02 0.00 -0.34 0.00 0.00 43.02 39.35 3ne8 s PHE 180 CO 0.10 -0.11 0.03 1.03 -1.46 0.00 0.00 175.22 174.81 3ne8 s ARG 181 N -0.22 3.59 -0.06 10.12 0.52 -1.26 -0.34 118.95 131.29 3ne8 s ARG 181 Ca 0.48 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 55.21 3ne8 s ARG 181 Cb -0.26 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.00 3ne8 s ARG 181 CO 0.32 -0.15 -0.18 0.08 0.02 0.00 0.00 175.30 175.38 3ne8 s VAL 182 N 1.46 1.58 -0.15 3.52 1.01 -0.06 0.07 120.40 127.82 3ne8 s VAL 182 Ca 0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 3ne8 s VAL 182 Cb -0.15 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 3ne8 s VAL 182 CO 0.02 0.45 -0.10 -0.69 0.00 0.00 0.00 175.10 174.78 3ne8 s VAL 183 N 0.22 3.21 -0.14 2.92 1.01 -0.48 -1.39 120.40 125.75 3ne8 s VAL 183 Ca -0.09 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 3ne8 s VAL 183 Cb -0.14 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3ne8 s VAL 183 CO 0.04 0.50 0.04 -0.76 0.00 0.00 0.00 175.10 174.92 3ne8 s LEU 184 N 0.62 3.74 -0.37 3.92 1.43 -0.03 -1.44 118.68 126.54 3ne8 s LEU 184 Ca -0.06 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 3ne8 s LEU 184 Cb -0.15 -1.91 0.10 0.00 0.03 0.00 0.00 46.19 44.26 3ne8 s LEU 184 CO 0.03 0.26 0.12 -0.62 0.23 0.00 0.00 176.35 176.37 3ne8 s ASP 185 N -0.16 5.02 -0.29 2.29 2.15 0.53 -1.10 116.67 125.10 3ne8 s ASP 185 Ca 0.06 -1.99 -0.29 0.00 0.43 0.00 0.00 52.55 50.77 3ne8 s ASP 185 Cb -0.12 -1.74 -0.01 0.00 -0.30 0.00 0.00 42.92 40.75 3ne8 s ASP 185 CO 0.02 -0.45 1.57 -2.84 -0.17 0.00 0.00 175.17 173.30 3ne8 s PRO 186 N 1.06 3.67 0.52 4.34 0.02 -1.26 -0.54 135.00 142.81 3ne8 s PRO 186 Ca 0.07 1.41 -0.21 0.00 0.02 0.00 0.00 61.00 62.29 3ne8 s PRO 186 Cb -0.21 -4.05 -0.07 0.00 0.02 0.00 0.00 34.50 30.19 3ne8 s PRO 186 CO -0.05 -1.45 1.01 0.41 -0.33 0.00 0.00 177.00 176.58 3ne8 n GLY 187 N 4.87 -0.20 7.00 0.52 0.00 0.18 -4.74 105.19 112.81 3ne8 n GLY 187 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3ne8 n GLY 187 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ne8 n HIS 188 N -1.15 -0.58 0.00 1.61 8.25 -1.26 -4.45 115.22 117.65 3ne8 n HIS 188 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 3ne8 n HIS 188 Cb 0.44 0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3ne8 n HIS 188 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ne8 n GLY 189 N 0.00 4.12 7.00 -1.41 0.00 -0.05 -4.69 105.19 110.17 3ne8 n GLY 189 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 3ne8 n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ne8 n GLY 190 N -1.39 3.10 0.32 -0.02 0.00 -1.19 -1.86 105.19 104.16 3ne8 n GLY 190 Ca 0.00 -0.19 0.19 0.00 0.00 0.00 0.00 46.02 46.02 3ne8 n GLY 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3ne8 h ILE 191 N 0.00 0.28 -2.86 -0.61 6.09 -1.92 -3.36 117.51 115.14 3ne8 h ILE 191 Ca 0.00 0.00 -0.69 0.00 -1.37 0.00 0.00 64.86 62.80 3ne8 h ILE 191 Cb 0.00 1.00 -0.19 0.00 0.47 0.00 0.00 36.82 38.10 3ne8 h ILE 191 CO 0.00 0.00 0.21 -0.62 -3.07 0.00 0.00 178.15 174.67 3ne8 s ASP 192 N -5.68 6.20 0.25 2.19 2.15 -0.78 -4.89 116.67 116.12 3ne8 s ASP 192 Ca -0.05 -1.40 0.25 0.00 0.43 0.00 0.00 52.55 51.79 3ne8 s ASP 192 Cb 0.14 -2.32 0.87 0.00 -0.30 0.00 0.00 42.92 41.31 3ne8 s ASP 192 CO 0.48 -1.16 1.75 1.23 -0.17 0.00 0.00 175.17 177.30 3ne8 h GLY 193 N 10.19 0.00 0.00 2.66 0.00 -1.83 -0.08 103.07 114.01 3ne8 h GLY 193 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3ne8 h GLY 193 CO 1.11 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.26 3ne8 n GLY 194 N 0.80 0.16 3.74 4.60 0.00 -1.26 -1.36 105.19 111.88 3ne8 n GLY 194 Ca 0.04 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 3ne8 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ne8 s ALA 195 N -1.62 2.26 -0.11 4.61 0.00 -1.26 -4.67 121.76 120.97 3ne8 s ALA 195 Ca 0.00 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.73 3ne8 s ALA 195 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.72 3ne8 s ALA 195 CO 0.00 -1.63 -0.17 0.50 0.00 0.00 0.00 175.76 174.46 3ne8 s ARG 196 N -3.97 2.37 0.85 0.00 3.52 -1.26 -0.36 118.95 120.10 3ne8 s ARG 196 Ca 0.71 -0.62 -0.12 0.00 -0.13 0.00 0.00 55.73 55.57 3ne8 s ARG 196 Cb -0.26 -1.98 0.10 0.00 -1.56 0.00 0.00 34.95 31.26 3ne8 s ARG 196 CO 0.43 -0.04 1.14 0.20 -0.81 0.00 0.00 175.30 176.22 3ne8 s GLY 197 N 0.91 1.59 0.51 8.12 0.00 0.34 -4.90 107.32 113.90 3ne8 s GLY 197 Ca -0.08 -0.49 0.24 0.00 0.00 0.00 0.00 44.72 44.40 3ne8 s GLY 197 CO -0.01 0.02 2.07 -0.24 0.00 0.00 0.00 173.10 174.94 3ne8 h VAL 198 N -1.26 0.70 -0.00 1.40 3.04 -1.89 -1.12 116.25 117.12 3ne8 h VAL 198 Ca -0.48 -0.51 0.00 0.00 -1.01 0.00 0.00 66.70 64.69 3ne8 h VAL 198 Cb 1.32 1.31 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 3ne8 h VAL 198 CO 0.63 0.12 -0.06 0.35 -1.01 0.00 0.00 177.57 177.60 3ne8 n THR 199 N -3.82 0.00 -0.00 3.17 -2.24 -1.26 -4.90 114.28 105.22 3ne8 n THR 199 Ca -0.02 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 3ne8 n THR 199 Cb 0.23 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 3ne8 n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ne8 n GLY 200 N 1.25 0.39 3.77 3.38 0.00 -0.42 -5.06 105.19 108.50 3ne8 n GLY 200 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3ne8 n GLY 200 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3ne8 s ILE 201 N -2.13 2.07 -0.10 -0.61 2.07 -1.26 -4.67 121.20 116.57 3ne8 s ILE 201 Ca 0.00 0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.28 3ne8 s ILE 201 Cb 0.00 -3.05 -0.03 0.00 0.13 0.00 0.00 42.46 39.51 3ne8 s ILE 201 CO 0.00 0.02 0.01 -0.76 -1.91 0.00 0.00 174.94 172.29 3ne8 s LEU 202 N -1.60 3.58 0.26 8.50 1.43 -1.26 -0.50 118.68 129.09 3ne8 s LEU 202 Ca 0.56 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.75 3ne8 s LEU 202 Cb -0.47 -1.83 0.54 0.00 0.03 0.00 0.00 46.19 44.46 3ne8 s LEU 202 CO 0.58 0.33 1.71 -0.08 0.23 0.00 0.00 176.35 179.13 3ne8 h GLU 203 N 5.49 0.40 0.00 1.70 4.81 -0.59 -0.75 114.58 125.64 3ne8 h GLU 203 Ca -0.47 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 3ne8 h GLU 203 Cb 1.19 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 3ne8 h GLU 203 CO 0.57 0.26 -0.03 1.57 -0.73 0.00 0.00 179.01 180.65 3ne8 h LYS 204 N 0.41 0.00 0.21 1.92 2.10 -1.43 0.55 116.57 120.32 3ne8 h LYS 204 Ca 0.46 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.78 3ne8 h LYS 204 Cb 0.76 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.11 3ne8 h LYS 204 CO -0.46 0.03 -1.49 -0.44 -2.00 0.00 0.00 179.45 175.09 3ne8 h ASP 205 N 0.00 0.68 -0.50 7.07 3.32 -1.44 -3.11 116.42 122.44 3ne8 h ASP 205 Ca -0.00 -0.79 -0.03 0.00 0.02 0.00 0.00 57.03 56.23 3ne8 h ASP 205 Cb 0.05 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3ne8 h ASP 205 CO 0.00 1.63 0.21 0.58 -1.72 0.00 0.00 179.24 179.94 3ne8 h VAL 206 N 0.12 1.21 -0.44 -1.35 2.07 -0.67 -1.67 116.25 115.53 3ne8 h VAL 206 Ca -0.25 -0.64 -0.12 0.00 0.82 0.00 0.00 66.70 66.51 3ne8 h VAL 206 Cb 2.11 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 3ne8 h VAL 206 CO 0.23 0.24 -0.21 0.71 0.02 0.00 0.00 177.57 178.56 3ne8 h THR 207 N 0.67 1.27 -0.44 2.57 1.35 -1.03 0.42 112.91 117.72 3ne8 h THR 207 Ca 0.17 -1.35 -0.04 0.00 -0.55 0.00 0.00 66.41 64.63 3ne8 h THR 207 Cb 0.18 1.16 -0.02 0.00 -1.73 0.00 0.00 68.15 67.74 3ne8 h THR 207 CO -0.02 0.46 0.11 0.25 -0.25 0.00 0.00 175.52 176.08 3ne8 h LEU 208 N 0.76 0.66 -0.63 3.87 5.85 -1.48 0.16 115.31 124.50 3ne8 h LEU 208 Ca 0.10 -0.23 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 3ne8 h LEU 208 Cb 0.76 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3ne8 h LEU 208 CO 0.06 0.72 0.26 0.00 -0.34 0.00 0.00 178.44 179.13 3ne8 h ALA 209 N 0.97 0.82 -0.38 1.25 0.00 -1.07 -0.67 119.26 120.18 3ne8 h ALA 209 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 3ne8 h ALA 209 Cb 0.31 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ne8 h ALA 209 CO 0.00 0.44 0.08 0.35 0.00 0.00 0.00 179.25 180.12 3ne8 h PHE 210 N 0.89 0.66 -0.77 0.00 3.57 -0.76 -1.54 116.94 118.99 3ne8 h PHE 210 Ca 0.21 -0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.66 3ne8 h PHE 210 Cb 0.20 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 3ne8 h PHE 210 CO 0.01 0.66 0.48 0.00 -2.23 0.00 0.00 178.31 177.23 3ne8 h ALA 211 N 0.93 1.02 -0.71 2.41 0.00 -0.67 0.16 119.26 122.39 3ne8 h ALA 211 Ca 0.12 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3ne8 h ALA 211 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3ne8 h ALA 211 CO 0.00 0.27 0.24 0.00 0.00 0.00 0.00 179.25 179.77 3ne8 h ARG 212 N 0.93 1.08 -0.52 0.00 3.08 -0.95 0.73 114.38 118.73 3ne8 h ARG 212 Ca 0.32 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 3ne8 h ARG 212 Cb 0.05 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3ne8 h ARG 212 CO -0.13 0.91 0.01 0.00 -1.07 0.00 0.00 179.97 179.69 3ne8 h ALA 213 N 1.21 0.70 -0.54 0.04 0.00 -0.58 -1.00 119.26 119.09 3ne8 h ALA 213 Ca 0.23 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3ne8 h ALA 213 Cb 0.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3ne8 h ALA 213 CO -0.01 0.51 -0.01 1.25 0.00 0.00 0.00 179.25 180.98 3ne8 h LEU 214 N 0.79 0.95 -0.46 0.00 5.85 -0.73 -0.72 115.31 120.98 3ne8 h LEU 214 Ca 0.15 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.62 3ne8 h LEU 214 Cb 0.51 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 3ne8 h LEU 214 CO 0.03 1.03 0.14 -0.09 -0.34 0.00 0.00 178.44 179.21 3ne8 h ARG 215 N 0.84 0.29 -0.46 1.25 2.43 -0.72 -0.29 114.38 117.71 3ne8 h ARG 215 Ca 0.15 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3ne8 h ARG 215 Cb 0.55 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 3ne8 h ARG 215 CO 0.03 0.19 0.30 0.22 -1.51 0.00 0.00 179.97 179.20 3ne8 h ASP 216 N 0.30 0.54 -0.65 -3.80 3.58 -0.79 0.03 116.42 115.63 3ne8 h ASP 216 Ca 0.22 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.63 3ne8 h ASP 216 Cb 0.24 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.13 3ne8 h ASP 216 CO -0.24 0.40 0.34 -0.33 -2.88 0.00 0.00 179.24 176.53 3ne8 h GLU 217 N 0.63 0.91 -0.44 0.28 4.39 -0.80 -2.02 114.58 117.53 3ne8 h GLU 217 Ca 0.17 -0.11 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 3ne8 h GLU 217 Cb -0.06 -0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 28.39 3ne8 h GLU 217 CO -0.04 0.70 0.01 -0.07 -1.16 0.00 0.00 179.01 178.46 3ne8 h LEU 218 N 0.89 0.67 -0.14 1.33 3.38 -0.63 -2.65 115.31 118.15 3ne8 h LEU 218 Ca 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3ne8 h LEU 218 Cb 0.06 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3ne8 h LEU 218 CO -0.03 0.73 0.00 0.00 0.09 0.00 0.00 178.44 179.23 3ne8 n GLN 219 N -4.24 0.18 0.14 1.13 6.02 -0.04 -1.91 117.38 118.66 3ne8 n GLN 219 Ca 0.02 0.22 0.01 0.00 -0.01 0.00 0.00 57.00 57.25 3ne8 n GLN 219 Cb 0.27 -1.74 0.13 0.00 1.02 0.00 0.00 30.24 29.92 3ne8 n GLN 219 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3ne8 h LYS 220 N 0.00 0.00 0.00 -1.09 1.57 -1.00 -3.46 116.57 112.59 3ne8 h LYS 220 Ca 0.00 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.50 3ne8 h LYS 220 Cb 0.59 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.00 3ne8 h LYS 220 CO 0.00 0.57 0.22 0.41 -0.57 0.00 0.00 179.45 180.08 3ne8 n GLY 221 N 0.77 -0.88 3.80 3.86 0.00 -0.80 -5.09 105.19 106.86 3ne8 n GLY 221 Ca 0.00 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 3ne8 n GLY 221 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ne8 s SER 222 N -4.02 5.63 -1.59 1.61 1.04 -1.26 -4.73 113.70 110.38 3ne8 s SER 222 Ca 0.47 -0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.87 3ne8 s SER 222 Cb -0.02 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.58 3ne8 s SER 222 CO 0.33 0.12 0.00 1.41 0.98 0.00 0.00 173.24 176.08 3ne8 n HIS 223 N 0.05 -0.75 -4.63 5.02 8.25 -1.26 -4.98 115.22 116.92 3ne8 n HIS 223 Ca -0.08 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.08 3ne8 n HIS 223 Cb 0.53 -3.51 -0.17 0.00 1.12 0.00 0.00 29.99 27.97 3ne8 n HIS 223 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3ne8 s THR 224 N -2.87 1.75 -0.18 1.59 2.01 -1.26 -0.61 115.64 116.08 3ne8 s THR 224 Ca 0.00 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 3ne8 s THR 224 Cb 0.00 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 3ne8 s THR 224 CO 0.00 0.49 0.01 -0.63 -0.69 0.00 0.00 174.62 173.80 3ne8 s ILE 225 N 0.83 4.24 -0.02 1.82 1.01 0.53 -4.77 121.20 124.84 3ne8 s ILE 225 Ca -0.09 -0.23 0.07 0.00 0.00 0.00 0.00 60.65 60.41 3ne8 s ILE 225 Cb -0.16 -2.90 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 3ne8 s ILE 225 CO -0.00 0.46 -0.25 -0.69 0.00 0.00 0.00 174.94 174.46 3ne8 s VAL 226 N 0.57 1.96 0.07 2.92 1.01 -1.26 -0.88 120.40 124.79 3ne8 s VAL 226 Ca -0.00 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 60.96 3ne8 s VAL 226 Cb -0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 3ne8 s VAL 226 CO 0.02 0.55 -0.10 0.00 0.00 0.00 0.00 175.10 175.57 3ne8 s ALA 227 N -0.52 0.92 -0.00 5.51 0.00 -0.48 -4.98 121.76 122.19 3ne8 s ALA 227 Ca 0.08 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.06 3ne8 s ALA 227 Cb -0.10 0.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 3ne8 s ALA 227 CO -0.00 0.01 0.02 -0.51 0.00 0.00 0.00 175.76 175.28 3ne8 s LEU 228 N -1.97 3.61 0.27 0.00 1.02 -1.26 -0.85 118.68 119.50 3ne8 s LEU 228 Ca -0.02 0.03 -0.03 0.00 0.02 0.00 0.00 54.13 54.14 3ne8 s LEU 228 Cb -0.07 -2.07 0.36 0.00 0.02 0.00 0.00 46.19 44.44 3ne8 s LEU 228 CO 0.00 0.28 1.85 0.71 0.02 0.00 0.00 176.35 179.22 3ne8 h THR 229 N 3.47 1.23 -3.82 5.49 1.35 -1.50 -3.43 112.91 115.71 3ne8 h THR 229 Ca -0.49 -0.71 -0.25 0.00 -0.55 0.00 0.00 66.41 64.40 3ne8 h THR 229 Cb 1.18 0.44 -0.27 0.00 -1.73 0.00 0.00 68.15 67.77 3ne8 h THR 229 CO 0.58 0.29 -0.73 0.00 -0.25 0.00 0.00 175.52 175.41 3ne8 s ARG 230 N -5.44 0.18 -0.28 4.72 1.70 -1.26 -5.04 118.95 113.52 3ne8 s ARG 230 Ca -0.11 -0.16 0.12 0.00 -0.47 0.00 0.00 55.73 55.11 3ne8 s ARG 230 Cb 0.16 -0.11 0.47 0.00 -0.57 0.00 0.00 34.95 34.90 3ne8 s ARG 230 CO 0.81 0.03 1.17 -3.47 -1.08 0.00 0.00 175.30 172.75 3ne8 n ASP 231 N 2.79 3.96 -3.44 -2.89 4.64 -1.26 -4.74 116.55 115.60 3ne8 n ASP 231 Ca -0.14 -3.26 -0.04 0.00 -1.38 0.00 0.00 54.79 49.97 3ne8 n ASP 231 Cb 0.59 -0.38 0.01 0.00 -1.04 0.00 0.00 41.12 40.30 3ne8 n ASP 231 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 3ne8 s SER 232 N -3.65 -0.05 -1.14 1.67 1.04 -1.26 -5.09 113.70 105.23 3ne8 s SER 232 Ca 0.44 -0.63 -0.16 0.00 0.48 0.00 0.00 55.95 56.08 3ne8 s SER 232 Cb 0.38 0.52 0.15 0.00 0.10 0.00 0.00 66.02 67.17 3ne8 s SER 232 CO 0.02 -1.02 1.38 -0.62 0.98 0.00 0.00 173.24 173.98 3ne8 s ASP 233 N -3.24 6.92 0.10 7.02 2.15 -1.26 -4.89 116.67 123.47 3ne8 s ASP 233 Ca 0.18 -2.66 0.04 0.00 0.43 0.00 0.00 52.55 50.54 3ne8 s ASP 233 Cb -0.02 -2.42 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 3ne8 s ASP 233 CO 0.05 -0.89 -0.10 0.27 -0.17 0.00 0.00 175.17 174.33 3ne8 s ILE 234 N 2.19 0.94 -0.00 4.11 -4.36 -1.26 -4.15 121.20 118.67 3ne8 s ILE 234 Ca 0.41 -1.67 -0.21 0.00 -0.26 0.00 0.00 60.65 58.92 3ne8 s ILE 234 Cb -0.03 -1.39 -0.05 0.00 1.25 0.00 0.00 42.46 42.24 3ne8 s ILE 234 CO -0.02 -0.58 0.62 0.12 0.24 0.00 0.00 174.94 175.33 3ne8 s PHE 235 N -2.53 3.69 -0.04 1.37 5.36 -1.23 -3.14 117.98 121.45 3ne8 s PHE 235 Ca 0.06 1.24 0.01 0.00 -0.96 0.00 0.00 56.93 57.29 3ne8 s PHE 235 Cb -0.02 -2.65 0.02 0.00 -0.34 0.00 0.00 43.02 40.02 3ne8 s PHE 235 CO -0.00 0.33 -0.06 -0.51 -1.46 0.00 0.00 175.22 173.52 3ne8 s LEU 236 N -0.12 1.49 0.67 6.12 1.43 -1.26 -4.98 118.68 122.03 3ne8 s LEU 236 Ca 0.32 -0.15 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 3ne8 s LEU 236 Cb -0.18 -0.49 0.01 0.00 0.03 0.00 0.00 46.19 45.55 3ne8 s LEU 236 CO 0.18 -0.02 1.24 -0.13 0.23 0.00 0.00 176.35 177.85 3ne8 s ARG 237 N 0.69 2.47 0.25 1.70 0.52 -1.26 -4.88 118.95 118.43 3ne8 s ARG 237 Ca -0.10 1.88 -0.05 0.00 -0.52 0.00 0.00 55.73 56.94 3ne8 s ARG 237 Cb -0.13 -1.86 0.31 0.00 0.52 0.00 0.00 34.95 33.80 3ne8 s ARG 237 CO 0.01 -1.61 1.90 -0.07 0.02 0.00 0.00 175.30 175.54 3ne8 h LEU 238 N 0.26 1.05 -1.61 2.53 3.38 -1.96 -1.35 115.31 117.60 3ne8 h LEU 238 Ca -0.49 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.44 3ne8 h LEU 238 Cb 1.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3ne8 h LEU 238 CO 0.52 0.71 -0.09 0.77 0.09 0.00 0.00 178.44 180.45 3ne8 h SER 239 N 1.21 0.13 0.15 -0.43 4.64 -1.91 -1.83 113.55 115.51 3ne8 h SER 239 Ca 0.38 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.54 3ne8 h SER 239 Cb 0.01 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3ne8 h SER 239 CO -0.12 0.24 -0.53 -0.08 -0.87 0.00 0.00 176.83 175.46 3ne8 h GLU 240 N 0.14 0.41 -0.42 4.77 4.57 -1.62 -0.95 114.58 121.47 3ne8 h GLU 240 Ca 0.03 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 57.92 3ne8 h GLU 240 Cb 0.25 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.85 3ne8 h GLU 240 CO 0.01 0.84 0.12 0.00 -1.18 0.00 0.00 179.01 178.81 3ne8 h ARG 241 N 0.32 0.67 -0.48 1.92 3.08 -0.97 -1.39 114.38 117.52 3ne8 h ARG 241 Ca 0.01 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3ne8 h ARG 241 Cb 1.04 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 3ne8 h ARG 241 CO 0.09 0.67 0.23 0.28 -1.07 0.00 0.00 179.97 180.17 3ne8 h VAL 242 N 0.54 1.19 -0.82 2.04 2.07 -1.29 -2.55 116.25 117.44 3ne8 h VAL 242 Ca 0.13 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 3ne8 h VAL 242 Cb 0.29 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 3ne8 h VAL 242 CO -0.00 0.21 0.49 0.11 0.02 0.00 0.00 177.57 178.40 3ne8 h LYS 243 N 0.63 1.10 -0.73 1.57 1.57 -1.00 -1.87 116.57 117.84 3ne8 h LYS 243 Ca 0.17 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 3ne8 h LYS 243 Cb 0.11 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.16 3ne8 h LYS 243 CO -0.02 0.77 0.27 0.87 -0.57 0.00 0.00 179.45 180.77 3ne8 h LYS 244 N 1.12 1.09 -0.51 3.15 1.57 -0.94 0.13 116.57 122.17 3ne8 h LYS 244 Ca 0.29 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3ne8 h LYS 244 Cb -0.05 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.06 3ne8 h LYS 244 CO -0.06 0.90 0.26 0.00 -0.57 0.00 0.00 179.45 179.99 3ne8 h ALA 245 N 1.23 0.66 -0.42 3.86 0.00 -0.98 -2.02 119.26 121.59 3ne8 h ALA 245 Ca 0.24 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3ne8 h ALA 245 Cb 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3ne8 h ALA 245 CO -0.02 0.20 -0.11 1.96 0.00 0.00 0.00 179.25 181.29 3ne8 h GLN 246 N 0.68 0.81 -0.11 0.00 4.20 -0.93 -2.01 115.11 117.75 3ne8 h GLN 246 Ca 0.18 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3ne8 h GLN 246 Cb 0.09 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3ne8 h GLN 246 CO -0.03 0.93 0.04 0.93 -0.67 0.00 0.00 178.83 180.03 3ne8 h GLU 247 N 0.63 0.14 -0.00 1.46 5.08 -0.62 -1.22 114.58 120.05 3ne8 h GLU 247 Ca 0.11 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3ne8 h GLU 247 Cb 0.64 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3ne8 h GLU 247 CO 0.04 0.13 -0.05 0.34 -1.00 0.00 0.00 179.01 178.48 3ne8 n PHE 248 N -4.48 0.00 -3.73 4.33 7.35 -0.77 -4.91 117.46 115.24 3ne8 n PHE 248 Ca -0.01 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.43 3ne8 n PHE 248 Cb 0.11 -0.21 0.05 0.00 0.35 0.00 0.00 39.48 39.77 3ne8 n PHE 248 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3ne8 n ASP 249 N -1.12 -3.64 -4.77 -2.13 8.00 -0.46 -4.91 116.55 107.52 3ne8 n ASP 249 Ca 0.15 -0.73 -0.40 0.00 0.71 0.00 0.00 54.79 54.52 3ne8 n ASP 249 Cb 0.24 -4.29 0.01 0.00 -0.02 0.00 0.00 41.12 37.06 3ne8 n ASP 249 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ne8 s ALA 250 N -3.43 3.33 -0.75 2.24 0.00 -0.77 -4.84 121.76 117.53 3ne8 s ALA 250 Ca 0.37 1.44 0.24 0.00 0.00 0.00 0.00 51.96 54.01 3ne8 s ALA 250 Cb -0.18 -3.57 0.38 0.00 0.00 0.00 0.00 23.12 19.75 3ne8 s ALA 250 CO 0.79 -1.07 1.32 -0.25 0.00 0.00 0.00 175.76 176.56 3ne8 n ASP 251 N 0.05 0.61 -3.62 0.00 8.00 0.11 -4.80 116.55 116.90 3ne8 n ASP 251 Ca 0.04 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.38 3ne8 n ASP 251 Cb 0.42 0.25 -0.07 0.00 -0.02 0.00 0.00 41.12 41.70 3ne8 n ASP 251 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3ne8 s LEU 252 N -3.78 -0.66 -0.08 0.64 2.96 -1.09 -4.28 118.68 112.39 3ne8 s LEU 252 Ca 0.08 1.21 0.02 0.00 -0.22 0.00 0.00 54.13 55.22 3ne8 s LEU 252 Cb 0.15 2.31 0.02 0.00 0.50 0.00 0.00 46.19 49.16 3ne8 s LEU 252 CO 0.72 -0.26 -0.11 0.12 -1.32 0.00 0.00 176.35 175.51 3ne8 s PHE 253 N 0.18 1.45 -0.17 5.38 5.36 -0.04 -1.39 117.98 128.74 3ne8 s PHE 253 Ca -0.00 -0.58 0.00 0.00 -0.96 0.00 0.00 56.93 55.39 3ne8 s PHE 253 Cb -0.04 -1.10 0.04 0.00 -0.34 0.00 0.00 43.02 41.57 3ne8 s PHE 253 CO -0.00 -0.33 -0.09 0.42 -1.46 0.00 0.00 175.22 173.76 3ne8 s ILE 254 N 0.92 1.37 -0.17 3.12 1.01 -0.52 -1.69 121.20 125.23 3ne8 s ILE 254 Ca -0.10 -0.71 -0.14 0.00 0.00 0.00 0.00 60.65 59.70 3ne8 s ILE 254 Cb -0.15 -1.44 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 3ne8 s ILE 254 CO 0.01 0.24 0.29 -0.55 0.00 0.00 0.00 174.94 174.92 3ne8 s SER 255 N 1.53 6.40 -0.18 3.58 0.15 -0.19 -0.35 113.70 124.64 3ne8 s SER 255 Ca 0.01 0.46 -0.04 0.00 0.70 0.00 0.00 55.95 57.09 3ne8 s SER 255 Cb -0.15 -2.18 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 3ne8 s SER 255 CO -0.09 0.08 -0.03 -0.63 1.20 0.00 0.00 173.24 173.77 3ne8 s ILE 256 N 0.61 3.73 0.10 6.45 1.01 0.30 -0.34 121.20 133.06 3ne8 s ILE 256 Ca 0.16 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.42 3ne8 s ILE 256 Cb -0.13 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 3ne8 s ILE 256 CO 0.04 0.46 -0.03 -1.00 0.00 0.00 0.00 174.94 174.41 3ne8 s HIS 257 N 0.82 0.86 -0.45 3.97 3.76 -0.27 -0.65 115.29 123.34 3ne8 s HIS 257 Ca -0.01 -1.01 0.07 0.00 -0.15 0.00 0.00 55.06 53.96 3ne8 s HIS 257 Cb -0.14 -0.51 0.23 0.00 1.11 0.00 0.00 32.58 33.26 3ne8 s HIS 257 CO 0.02 -0.26 0.66 0.00 -0.85 0.00 0.00 174.74 174.30 3ne8 n ALA 258 N -0.05 0.48 -1.95 -1.40 0.00 -1.26 -1.17 120.51 115.16 3ne8 n ALA 258 Ca -0.11 -2.29 -0.24 0.00 0.00 0.00 0.00 53.44 50.80 3ne8 n ALA 258 Cb 0.62 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 19.03 3ne8 n ALA 258 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ne8 s ASP 259 N -0.87 4.95 -0.09 0.00 1.01 -1.24 -3.82 116.67 116.61 3ne8 s ASP 259 Ca 0.33 0.29 -0.16 0.00 0.71 0.00 0.00 52.55 53.71 3ne8 s ASP 259 Cb 0.15 -1.00 -0.05 0.00 1.01 0.00 0.00 42.92 43.02 3ne8 s ASP 259 CO -0.16 -1.46 0.42 -0.89 0.21 0.00 0.00 175.17 173.29 3ne8 s THR 260 N -3.09 5.15 0.36 -1.27 2.01 -1.26 -1.15 115.64 116.39 3ne8 s THR 260 Ca 0.59 0.84 0.09 0.00 0.31 0.00 0.00 61.69 63.52 3ne8 s THR 260 Cb -0.10 -3.75 -0.06 0.00 0.01 0.00 0.00 72.50 68.60 3ne8 s THR 260 CO 0.43 0.42 0.03 0.27 -0.69 0.00 0.00 174.62 175.07 3ne8 s ILE 261 N 0.03 2.50 0.33 1.82 -4.36 -1.26 -4.95 121.20 115.30 3ne8 s ILE 261 Ca 0.23 -1.96 0.04 0.00 -0.26 0.00 0.00 60.65 58.70 3ne8 s ILE 261 Cb -0.15 -2.83 0.15 0.00 1.25 0.00 0.00 42.46 40.88 3ne8 s ILE 261 CO 0.10 -0.16 1.86 0.44 0.24 0.00 0.00 174.94 177.42 3ne8 h ASP 262 N 1.77 0.52 -3.76 4.36 3.32 -1.99 -3.39 116.42 117.25 3ne8 h ASP 262 Ca -0.43 -0.10 -0.66 0.00 0.02 0.00 0.00 57.03 55.86 3ne8 h ASP 262 Cb 1.25 -0.14 -0.19 0.00 0.22 0.00 0.00 39.33 40.47 3ne8 h ASP 262 CO 0.69 0.59 -0.53 -0.69 -1.72 0.00 0.00 179.24 177.58 3ne8 s VAL 263 N -4.96 5.05 -0.43 -1.35 1.01 -1.26 -4.97 120.40 113.50 3ne8 s VAL 263 Ca -0.08 -0.11 0.26 0.00 0.00 0.00 0.00 61.98 62.06 3ne8 s VAL 263 Cb 0.15 -3.50 0.30 0.00 0.00 0.00 0.00 36.38 33.34 3ne8 s VAL 263 CO 0.77 0.14 1.77 1.12 0.00 0.00 0.00 175.10 178.90 3ne8 h HIS 264 N 8.39 0.00 0.00 5.22 2.07 -1.85 -2.92 115.15 126.06 3ne8 h HIS 264 Ca -0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.18 3ne8 h HIS 264 Cb 1.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.15 3ne8 h HIS 264 CO 0.69 0.00 -0.12 -1.13 -3.07 0.00 0.00 177.93 174.31 3ne8 n SER 265 N -2.53 0.76 -4.72 3.10 3.41 -1.26 -4.17 113.62 108.20 3ne8 n SER 265 Ca 0.03 0.48 -0.42 0.00 -0.26 0.00 0.00 58.87 58.71 3ne8 n SER 265 Cb 0.34 -0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 3ne8 n SER 265 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3ne8 s LEU 266 N -4.39 4.41 0.16 1.04 1.43 -1.11 -5.02 118.68 115.20 3ne8 s LEU 266 Ca 0.10 2.04 -0.17 0.00 -1.03 0.00 0.00 54.13 55.08 3ne8 s LEU 266 Cb 0.13 -3.59 0.03 0.00 0.03 0.00 0.00 46.19 42.79 3ne8 s LEU 266 CO 0.62 -0.38 0.47 0.00 0.23 0.00 0.00 176.35 177.28 3ne8 s ARG 267 N 0.53 1.23 0.00 1.70 1.70 -1.26 -4.61 118.95 118.24 3ne8 s ARG 267 Ca 0.55 -0.79 0.00 0.00 -0.47 0.00 0.00 55.73 55.03 3ne8 s ARG 267 Cb -0.29 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 3ne8 s ARG 267 CO 0.32 -0.51 0.00 0.41 -1.08 0.00 0.00 175.30 174.44 3ne8 n GLY 268 N -0.29 3.04 3.75 3.88 0.00 -1.26 -3.64 105.19 110.66 3ne8 n GLY 268 Ca -0.13 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 3ne8 n GLY 268 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ne8 n ALA 269 N -0.21 1.87 -2.99 4.61 0.00 -0.47 -4.07 120.51 119.25 3ne8 n ALA 269 Ca 0.00 0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 3ne8 n ALA 269 Cb 0.00 -2.37 -0.12 0.00 0.00 0.00 0.00 19.45 16.97 3ne8 n ALA 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3ne8 s THR 270 N -1.20 0.06 -0.10 0.00 2.01 -0.82 -2.01 115.64 113.58 3ne8 s THR 270 Ca 0.62 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 62.11 3ne8 s THR 270 Cb -0.46 -0.24 0.00 0.00 0.01 0.00 0.00 72.50 71.82 3ne8 s THR 270 CO 0.57 -0.29 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.30 3ne8 s VAL 271 N -0.91 1.94 -0.07 3.82 1.01 0.24 -0.94 120.40 125.50 3ne8 s VAL 271 Ca -0.10 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.96 3ne8 s VAL 271 Cb -0.06 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3ne8 s VAL 271 CO -0.00 0.53 -0.11 -0.31 0.00 0.00 0.00 175.10 175.21 3ne8 s TYR 272 N 0.50 2.82 0.42 5.22 2.02 0.63 -1.08 117.35 127.87 3ne8 s TYR 272 Ca -0.16 -0.12 0.07 0.00 -0.37 0.00 0.00 57.07 56.50 3ne8 s TYR 272 Cb -0.17 -1.69 -0.05 0.00 -0.40 0.00 0.00 41.96 39.65 3ne8 s TYR 272 CO 0.06 0.21 0.16 0.95 -1.57 0.00 0.00 175.55 175.36 3ne8 s THR 273 N -0.65 2.25 0.32 -0.71 -4.23 -0.69 -1.06 115.64 110.87 3ne8 s THR 273 Ca 0.10 -1.73 -0.19 0.00 -1.18 0.00 0.00 61.69 58.69 3ne8 s THR 273 Cb -0.11 -2.98 -0.09 0.00 1.34 0.00 0.00 72.50 70.65 3ne8 s THR 273 CO 0.01 0.00 0.81 -0.51 -0.54 0.00 0.00 174.62 174.39 3ne8 s ILE 274 N -2.62 4.52 -0.14 2.99 2.07 -1.26 -2.49 121.20 124.28 3ne8 s ILE 274 Ca 0.40 1.27 -0.29 0.00 -1.41 0.00 0.00 60.65 60.62 3ne8 s ILE 274 Cb 0.05 -3.72 0.10 0.00 0.13 0.00 0.00 42.46 39.01 3ne8 s ILE 274 CO 0.22 -0.08 0.84 -0.55 -1.91 0.00 0.00 174.94 173.46 3ne8 s SER 275 N -2.01 -0.54 0.24 4.50 0.15 -0.82 -4.75 113.70 110.46 3ne8 s SER 275 Ca 0.53 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.87 3ne8 s SER 275 Cb -0.13 0.58 0.27 0.00 -1.71 0.00 0.00 66.02 65.04 3ne8 s SER 275 CO 0.18 -0.42 1.62 0.44 1.20 0.00 0.00 173.24 176.26 3ne8 h ASP 276 N 3.16 0.52 -3.44 5.45 3.32 -1.97 -1.80 116.42 121.66 3ne8 h ASP 276 Ca -0.24 -0.23 -0.64 0.00 0.02 0.00 0.00 57.03 55.94 3ne8 h ASP 276 Cb 1.15 -0.15 -0.23 0.00 0.22 0.00 0.00 39.33 40.33 3ne8 h ASP 276 CO 0.30 0.86 -0.66 -0.70 -1.72 0.00 0.00 179.24 177.32 3ne8 s GLU 277 N -4.25 3.62 0.54 3.56 2.12 -1.26 -4.66 118.70 118.37 3ne8 s GLU 277 Ca -0.07 -0.52 -0.19 0.00 0.36 0.00 0.00 54.97 54.55 3ne8 s GLU 277 Cb 0.13 -3.10 -0.06 0.00 0.26 0.00 0.00 34.13 31.36 3ne8 s GLU 277 CO 0.81 -0.00 1.12 0.00 -0.54 0.00 0.00 175.26 176.65 3ne8 s ALA 278 N 1.04 2.71 0.30 6.30 0.00 -1.26 -4.64 121.76 126.21 3ne8 s ALA 278 Ca 0.02 0.80 0.19 0.00 0.00 0.00 0.00 51.96 52.98 3ne8 s ALA 278 Cb -0.14 -3.35 0.93 0.00 0.00 0.00 0.00 23.12 20.55 3ne8 s ALA 278 CO 0.02 -0.74 1.87 0.66 0.00 0.00 0.00 175.76 177.56 3ne8 h SER 279 N 1.21 0.00 -5.47 0.00 4.64 -1.29 -3.47 113.55 109.16 3ne8 h SER 279 Ca -0.50 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.05 3ne8 h SER 279 Cb 1.26 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 3ne8 h SER 279 CO 0.57 0.29 0.60 1.51 -0.87 0.00 0.00 176.83 178.93 3ne8 s ASP 280 N -6.51 -0.13 0.31 4.97 -4.77 -1.26 -5.01 116.67 104.27 3ne8 s ASP 280 Ca -0.02 -0.33 0.04 0.00 -3.30 0.00 0.00 52.55 48.94 3ne8 s ASP 280 Cb 0.13 0.39 0.52 0.00 -1.09 0.00 0.00 42.92 42.86 3ne8 s ASP 280 CO 0.67 -0.72 1.80 0.00 0.70 0.00 0.00 175.17 177.62 3ne8 h ALA 281 N 2.00 1.24 -0.20 2.11 0.00 -1.99 -1.48 119.26 120.93 3ne8 h ALA 281 Ca -0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3ne8 h ALA 281 Cb 1.22 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3ne8 h ALA 281 CO 0.27 0.50 -0.00 0.82 0.00 0.00 0.00 179.25 180.83 3ne8 h ILE 282 N 0.42 1.26 -0.72 0.00 1.08 -1.99 -1.86 117.51 115.70 3ne8 h ILE 282 Ca 0.08 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 3ne8 h ILE 282 Cb 0.52 1.44 -0.04 0.00 -3.07 0.00 0.00 36.82 35.67 3ne8 h ILE 282 CO 0.03 0.27 0.45 0.00 -0.69 0.00 0.00 178.15 178.21 3ne8 h ALA 283 N 0.79 0.92 -0.30 1.87 0.00 -1.85 -0.24 119.26 120.44 3ne8 h ALA 283 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3ne8 h ALA 283 Cb 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ne8 h ALA 283 CO 0.01 0.37 0.16 -0.22 0.00 0.00 0.00 179.25 179.57 3ne8 h LYS 284 N 0.98 0.42 -0.45 0.00 3.64 -1.18 -1.22 116.57 118.77 3ne8 h LYS 284 Ca 0.26 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.48 3ne8 h LYS 284 Cb -0.06 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3ne8 h LYS 284 CO -0.05 0.37 -0.16 1.03 -2.27 0.00 0.00 179.45 178.37 3ne8 h SER 285 N 0.36 0.85 -0.30 4.20 0.87 -1.15 -2.11 113.55 116.26 3ne8 h SER 285 Ca 0.10 -0.29 -0.01 0.00 -1.23 0.00 0.00 61.79 60.36 3ne8 h SER 285 Cb 0.08 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3ne8 h SER 285 CO -0.02 1.01 0.14 0.25 -0.53 0.00 0.00 176.83 177.69 3ne8 h LEU 286 N 0.75 0.40 -0.78 2.23 5.85 -0.77 -1.86 115.31 121.13 3ne8 h LEU 286 Ca 0.11 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3ne8 h LEU 286 Cb 0.68 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 3ne8 h LEU 286 CO 0.05 0.42 0.37 0.00 -0.34 0.00 0.00 178.44 178.94 3ne8 h ALA 287 N 0.99 1.01 -0.37 1.25 0.00 -1.12 0.40 119.26 121.43 3ne8 h ALA 287 Ca 0.10 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.90 3ne8 h ALA 287 Cb 0.13 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 3ne8 h ALA 287 CO -0.01 0.58 0.12 0.93 0.00 0.00 0.00 179.25 180.87 3ne8 h GLU 288 N 1.11 0.26 -0.29 0.00 5.08 -1.15 -0.58 114.58 119.01 3ne8 h GLU 288 Ca 0.27 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 3ne8 h GLU 288 Cb 0.13 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3ne8 h GLU 288 CO -0.03 0.17 -0.27 0.77 -1.00 0.00 0.00 179.01 178.65 3ne8 h SER 289 N 0.27 0.75 0.68 1.42 0.02 -1.04 -3.01 113.55 112.63 3ne8 h SER 289 Ca 0.17 -0.46 -0.07 0.00 -0.84 0.00 0.00 61.79 60.59 3ne8 h SER 289 Cb 0.15 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 3ne8 h SER 289 CO -0.18 1.05 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.90 3ne8 h GLU 290 N 0.45 0.00 0.00 3.45 4.39 -0.71 -2.52 114.58 119.64 3ne8 h GLU 290 Ca 0.05 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.62 3ne8 h GLU 290 Cb 0.83 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.47 3ne8 h GLU 290 CO 0.07 0.33 -0.60 -0.91 -1.16 0.00 0.00 179.01 176.74 3ne8 h ASN 291 N 0.00 0.00 0.94 1.42 2.35 -1.09 -3.26 115.58 115.93 3ne8 h ASN 291 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3ne8 h ASN 291 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3ne8 h ASN 291 CO 0.04 0.60 0.00 0.29 -1.65 0.00 0.00 177.43 176.71 3ne8 n LYS 292 N -3.57 0.14 0.31 0.81 5.02 -0.95 -3.57 118.16 116.35 3ne8 n LYS 292 Ca -0.00 0.25 0.20 0.00 -2.02 0.00 0.00 58.31 56.74 3ne8 n LYS 292 Cb 0.65 -1.71 0.99 0.00 -0.02 0.00 0.00 35.03 34.94 3ne8 n LYS 292 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 3ne8 h VAL 293 N 0.00 0.09 -0.83 -0.18 -1.51 -1.61 -1.66 116.25 110.55 3ne8 h VAL 293 Ca 0.00 -0.22 0.18 0.00 -1.23 0.00 0.00 66.70 65.43 3ne8 h VAL 293 Cb 0.47 1.20 -0.06 0.00 -2.13 0.00 0.00 31.29 30.77 3ne8 h VAL 293 CO 0.00 0.02 0.55 0.44 -1.23 0.00 0.00 177.57 177.35 3ne8 h ASP 294 N 0.00 0.41 0.51 4.19 3.32 -1.84 -1.33 116.42 121.68 3ne8 h ASP 294 Ca -0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3ne8 h ASP 294 Cb 0.19 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3ne8 h ASP 294 CO 0.00 0.19 0.00 0.18 -1.72 0.00 0.00 179.24 177.89 3ne8 n LEU 295 N -4.49 0.00 0.10 1.55 4.77 -0.62 -3.22 117.00 115.09 3ne8 n LEU 295 Ca 0.17 0.42 0.10 0.00 -0.03 0.00 0.00 56.01 56.67 3ne8 n LEU 295 Cb 0.61 -0.42 0.45 0.00 -2.33 0.00 0.00 43.42 41.73 3ne8 n LEU 295 CO 0.32 -0.17 0.82 0.18 -1.33 0.00 0.00 177.39 177.21 3ne8 n LEU 296 N -1.42 0.50 -0.11 2.23 4.77 -0.50 -0.80 117.00 121.67 3ne8 n LEU 296 Ca 0.06 0.64 0.15 0.00 -0.03 0.00 0.00 56.01 56.82 3ne8 n LEU 296 Cb 0.18 -0.58 0.78 0.00 -2.33 0.00 0.00 43.42 41.47 3ne8 n LEU 296 CO 0.15 -0.53 1.00 -0.90 -1.33 0.00 0.00 177.39 175.79 3ne8 n ASP 297 N -2.07 0.37 -0.13 -1.43 5.68 -1.20 -4.91 116.55 112.86 3ne8 n ASP 297 Ca 0.02 -0.88 -0.02 0.00 -0.50 0.00 0.00 54.79 53.41 3ne8 n ASP 297 Cb 0.19 -0.05 -0.01 0.00 -1.14 0.00 0.00 41.12 40.11 3ne8 n ASP 297 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3ne8 n GLY 298 N 1.13 0.45 3.97 6.12 0.00 0.02 -5.02 105.19 111.86 3ne8 n GLY 298 Ca 0.20 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 3ne8 n GLY 298 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ne8 s LEU 299 N -0.40 4.15 0.81 0.99 1.43 -1.26 -5.08 118.68 119.31 3ne8 s LEU 299 Ca 0.00 0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 52.99 3ne8 s LEU 299 Cb 0.00 -2.87 0.08 0.00 0.03 0.00 0.00 46.19 43.43 3ne8 s LEU 299 CO 0.00 -0.24 1.17 -2.84 0.23 0.00 0.00 176.35 174.68 3ne8 s PRO 300 N -4.09 1.71 0.55 1.29 0.02 -1.26 -4.73 135.00 128.49 3ne8 s PRO 300 Ca 0.39 1.62 -0.21 0.00 0.02 0.00 0.00 61.00 62.82 3ne8 s PRO 300 Cb -0.09 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.58 3ne8 s PRO 300 CO 0.31 -2.13 1.31 0.21 -0.33 0.00 0.00 177.00 176.37 3ne8 s LYS 301 N -4.30 3.12 0.00 5.54 2.20 -1.26 -4.97 119.74 120.07 3ne8 s LYS 301 Ca 0.70 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 58.43 3ne8 s LYS 301 Cb -0.25 -2.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.87 3ne8 s LYS 301 CO 0.51 -1.17 0.00 -0.85 -0.36 0.00 0.00 175.35 173.49 3ne8 n GLU 302 N -1.13 1.75 0.00 4.03 0.28 -1.26 -5.19 120.64 119.13 3ne8 n GLU 302 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.11 3ne8 n GLU 302 Cb 0.46 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.33 3ne8 n GLU 302 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3ne8 n ASP 309 N -1.81 0.00 -0.20 -1.84 2.03 -1.26 -5.21 116.55 108.26 3ne8 n ASP 309 Ca 0.00 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.24 3ne8 n ASP 309 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 3ne8 n ASP 309 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 3ne8 h ILE 310 N 0.00 1.19 -0.76 5.18 3.07 -2.05 -1.04 117.51 123.10 3ne8 h ILE 310 Ca 0.00 -0.47 -0.02 0.00 1.55 0.00 0.00 64.86 65.92 3ne8 h ILE 310 Cb 0.00 0.46 -0.04 0.00 -0.27 0.00 0.00 36.82 36.97 3ne8 h ILE 310 CO 0.00 0.20 0.38 -0.07 -1.05 0.00 0.00 178.15 177.61 3ne8 h LEU 311 N 0.77 0.98 -0.49 0.16 4.07 -2.05 -0.43 115.31 118.32 3ne8 h LEU 311 Ca 0.20 -0.12 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 3ne8 h LEU 311 Cb 0.04 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 3ne8 h LEU 311 CO -0.03 0.83 0.20 0.25 -1.08 0.00 0.00 178.44 178.60 3ne8 h LEU 312 N 1.06 0.67 -0.93 1.67 5.85 -1.94 -1.67 115.31 120.02 3ne8 h LEU 312 Ca 0.26 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.73 3ne8 h LEU 312 Cb 0.10 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 3ne8 h LEU 312 CO -0.04 0.66 -0.12 0.44 -0.34 0.00 0.00 178.44 179.04 3ne8 h ASP 313 N 0.65 0.63 -0.33 1.25 3.32 -0.68 0.23 116.42 121.48 3ne8 h ASP 313 Ca 0.16 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 3ne8 h ASP 313 Cb 0.19 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3ne8 h ASP 313 CO -0.01 0.78 0.08 -0.07 -1.72 0.00 0.00 179.24 178.30 3ne8 h LEU 314 N 0.59 0.51 -0.76 1.55 3.38 -0.97 -2.10 115.31 117.51 3ne8 h LEU 314 Ca 0.10 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3ne8 h LEU 314 Cb 0.55 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3ne8 h LEU 314 CO 0.03 0.61 0.48 0.74 0.09 0.00 0.00 178.44 180.39 3ne8 h THR 315 N 0.38 1.10 -0.88 0.22 2.02 -0.85 -1.46 112.91 113.44 3ne8 h THR 315 Ca 0.10 -0.32 0.05 0.00 0.77 0.00 0.00 66.41 67.01 3ne8 h THR 315 Cb 0.30 0.09 -0.06 0.00 -1.74 0.00 0.00 68.15 66.75 3ne8 h THR 315 CO 0.00 0.17 0.56 0.03 0.37 0.00 0.00 175.52 176.66 3ne8 h ARG 316 N 0.93 1.04 -0.48 6.66 3.08 -0.83 0.06 114.38 124.84 3ne8 h ARG 316 Ca 0.31 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.19 3ne8 h ARG 316 Cb 0.03 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 3ne8 h ARG 316 CO -0.12 0.69 -0.11 -0.09 -1.07 0.00 0.00 179.97 179.27 3ne8 h ARG 317 N 1.07 0.91 -0.23 0.04 2.43 -0.59 -0.59 114.38 117.42 3ne8 h ARG 317 Ca 0.37 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 3ne8 h ARG 317 Cb 0.07 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 3ne8 h ARG 317 CO -0.14 1.00 0.09 1.49 -1.51 0.00 0.00 179.97 180.90 3ne8 h GLU 318 N 0.76 0.34 -0.80 0.20 4.81 -1.02 -1.97 114.58 116.91 3ne8 h GLU 318 Ca 0.12 -0.06 0.08 0.00 -0.13 0.00 0.00 59.36 59.37 3ne8 h GLU 318 Cb 0.66 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 3ne8 h GLU 318 CO 0.05 0.39 0.46 1.15 -0.73 0.00 0.00 179.01 180.33 3ne8 h THR 319 N 0.22 0.94 -0.68 0.32 2.02 -0.82 -2.42 112.91 112.49 3ne8 h THR 319 Ca 0.08 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 3ne8 h THR 319 Cb 0.18 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.63 3ne8 h THR 319 CO -0.01 0.15 0.12 -0.74 0.37 0.00 0.00 175.52 175.42 3ne8 h HIS 320 N 0.80 1.19 -0.88 3.16 -0.00 -0.81 -0.47 115.15 118.13 3ne8 h HIS 320 Ca 0.37 -0.16 0.08 0.00 -0.00 0.00 0.00 60.37 60.67 3ne8 h HIS 320 Cb 0.29 -0.33 -0.07 0.00 -0.00 0.00 0.00 27.41 27.31 3ne8 h HIS 320 CO -0.06 0.98 0.54 0.00 -0.00 0.00 0.00 177.93 179.39 3ne8 h ALA 321 N 1.07 1.24 -0.38 5.26 0.00 -0.89 -0.78 119.26 124.78 3ne8 h ALA 321 Ca 0.21 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3ne8 h ALA 321 Cb 0.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3ne8 h ALA 321 CO 0.01 0.23 -0.17 0.74 0.00 0.00 0.00 179.25 180.07 3ne8 h PHE 322 N 0.94 0.91 -0.49 0.00 0.04 -0.99 -1.47 116.94 115.89 3ne8 h PHE 322 Ca 0.40 -0.22 0.03 0.00 2.80 0.00 0.00 57.97 60.99 3ne8 h PHE 322 Cb 0.27 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 3ne8 h PHE 322 CO -0.03 0.96 0.27 0.77 -0.60 0.00 0.00 178.31 179.68 3ne8 h SER 323 N 0.59 0.41 -0.37 2.17 0.02 -0.50 -0.73 113.55 115.15 3ne8 h SER 323 Ca 0.09 0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 3ne8 h SER 323 Cb 0.71 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3ne8 h SER 323 CO 0.05 0.29 -0.27 0.40 -1.14 0.00 0.00 176.83 176.16 3ne8 h ILE 324 N 0.53 1.27 -0.33 3.27 2.04 -1.10 -0.65 117.51 122.53 3ne8 h ILE 324 Ca 0.21 -1.43 0.04 0.00 1.00 0.00 0.00 64.86 64.68 3ne8 h ILE 324 Cb 0.08 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 3ne8 h ILE 324 CO -0.12 0.48 0.11 -1.13 0.00 0.00 0.00 178.15 177.49 3ne8 h ASN 325 N 0.75 0.12 -0.39 1.72 -0.73 -0.90 -0.49 115.58 115.67 3ne8 h ASN 325 Ca 0.09 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.26 3ne8 h ASN 325 Cb 0.83 0.02 -0.02 0.00 0.27 0.00 0.00 38.32 39.43 3ne8 h ASN 325 CO 0.07 0.11 0.12 0.15 -0.37 0.00 0.00 177.43 177.51 3ne8 h PHE 326 N 0.26 0.62 -0.55 0.67 3.57 -0.96 -1.56 116.94 118.99 3ne8 h PHE 326 Ca 0.15 -0.06 0.08 0.00 3.53 0.00 0.00 57.97 61.67 3ne8 h PHE 326 Cb 0.12 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.62 3ne8 h PHE 326 CO -0.14 0.59 0.19 0.00 -2.23 0.00 0.00 178.31 176.72 3ne8 h ALA 327 N 0.96 0.68 -0.56 2.41 0.00 -0.81 -0.08 119.26 121.87 3ne8 h ALA 327 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.12 3ne8 h ALA 327 Cb 0.26 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3ne8 h ALA 327 CO -0.00 -0.21 0.36 -0.91 0.00 0.00 0.00 179.25 178.49 3ne8 h ASN 328 N 0.37 0.62 -0.52 0.00 2.35 -0.82 -1.93 115.58 115.65 3ne8 h ASN 328 Ca 0.27 -0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.89 3ne8 h ASN 328 Cb 0.31 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3ne8 h ASN 328 CO -0.28 0.45 -0.11 -1.13 -1.65 0.00 0.00 177.43 174.71 3ne8 h ASN 329 N 0.74 1.01 -0.21 5.81 -1.24 -0.72 -1.44 115.58 119.53 3ne8 h ASN 329 Ca 0.21 -0.33 0.01 0.00 0.71 0.00 0.00 56.30 56.90 3ne8 h ASN 329 Cb -0.06 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 38.70 3ne8 h ASN 329 CO -0.06 1.12 0.11 0.58 -1.29 0.00 0.00 177.43 177.89 3ne8 h VAL 330 N 0.90 1.01 -0.36 2.57 2.07 -0.73 -0.87 116.25 120.83 3ne8 h VAL 330 Ca 0.14 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.60 3ne8 h VAL 330 Cb 0.67 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3ne8 h VAL 330 CO 0.05 0.04 0.21 0.58 0.02 0.00 0.00 177.57 178.47 3ne8 h VAL 331 N 0.24 1.03 -0.34 2.57 2.07 -1.24 -0.21 116.25 120.36 3ne8 h VAL 331 Ca 0.08 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.50 3ne8 h VAL 331 Cb 0.01 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 3ne8 h VAL 331 CO -0.05 0.08 0.10 -1.28 0.02 0.00 0.00 177.57 176.44 3ne8 h SER 332 N 0.42 0.08 0.47 0.57 0.87 -0.89 -1.73 113.55 113.34 3ne8 h SER 332 Ca 0.14 0.05 -0.17 0.00 -1.23 0.00 0.00 61.79 60.58 3ne8 h SER 332 Cb 0.01 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 3ne8 h SER 332 CO -0.07 0.08 -0.73 0.78 -0.53 0.00 0.00 176.83 176.36 3ne8 h ASN 333 N 0.23 0.26 -0.70 6.23 2.35 -0.93 -1.95 115.58 121.07 3ne8 h ASN 333 Ca 0.16 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3ne8 h ASN 333 Cb 0.15 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3ne8 h ASN 333 CO -0.18 0.90 0.40 -0.07 -1.65 0.00 0.00 177.43 176.83 3ne8 h LEU 334 N 0.14 0.87 -0.27 1.61 3.38 -0.83 -1.25 115.31 118.96 3ne8 h LEU 334 Ca -0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3ne8 h LEU 334 Cb 1.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 3ne8 h LEU 334 CO 0.11 0.70 0.17 0.28 0.09 0.00 0.00 178.44 179.79 3ne8 h SER 335 N 0.96 0.29 0.14 -0.43 0.02 -1.13 -1.47 113.55 111.93 3ne8 h SER 335 Ca 0.25 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3ne8 h SER 335 Cb 0.01 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 3ne8 h SER 335 CO -0.04 0.21 -0.10 0.11 -1.14 0.00 0.00 176.83 175.88 3ne8 h LYS 336 N 0.35 0.00 -0.25 3.45 1.57 -1.05 -0.96 116.57 119.68 3ne8 h LYS 336 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3ne8 h LYS 336 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3ne8 h LYS 336 CO -0.03 0.10 0.00 0.43 -0.57 0.00 0.00 179.45 179.38 3ne8 n SER 337 N -4.17 1.68 -2.73 0.86 7.64 -0.50 -4.92 113.62 111.48 3ne8 n SER 337 Ca -0.03 -1.85 -0.20 0.00 1.01 0.00 0.00 58.87 57.81 3ne8 n SER 337 Cb 0.18 -0.16 0.01 0.00 -1.01 0.00 0.00 64.21 63.22 3ne8 n SER 337 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3ne8 n HIS 338 N 0.37 -1.51 -3.11 1.43 8.25 -0.36 -4.96 115.22 115.33 3ne8 n HIS 338 Ca 0.14 0.24 -0.39 0.00 -0.26 0.00 0.00 57.72 57.44 3ne8 n HIS 338 Cb 0.30 -3.82 -0.05 0.00 1.12 0.00 0.00 29.99 27.53 3ne8 n HIS 338 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ne8 s ILE 339 N -3.00 5.06 0.13 1.59 1.01 -0.62 -5.01 121.20 120.37 3ne8 s ILE 339 Ca 0.15 1.30 -0.31 0.00 0.00 0.00 0.00 60.65 61.79 3ne8 s ILE 339 Cb -0.07 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 3ne8 s ILE 339 CO 0.19 0.23 1.44 0.21 0.00 0.00 0.00 174.94 177.01 3ne8 s ASN 340 N 0.85 6.75 0.04 3.58 2.47 -1.26 -4.43 114.94 122.93 3ne8 s ASN 340 Ca 0.34 2.43 0.04 0.00 0.42 0.00 0.00 52.86 56.08 3ne8 s ASN 340 Cb -0.17 -2.59 -0.04 0.00 -1.45 0.00 0.00 41.25 37.01 3ne8 s ASN 340 CO 0.15 -0.71 -0.06 -0.76 -3.72 0.00 0.00 177.10 172.00 3ne8 s LEU 341 N 1.06 3.21 0.74 3.21 1.43 -1.26 -1.37 118.68 125.70 3ne8 s LEU 341 Ca 0.66 -0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.44 3ne8 s LEU 341 Cb -0.39 -1.89 0.04 0.00 0.03 0.00 0.00 46.19 43.98 3ne8 s LEU 341 CO 0.31 0.24 1.14 -0.51 0.23 0.00 0.00 176.35 177.77 3ne8 s ILE 342 N -1.09 2.79 0.44 -0.59 2.07 -0.85 -4.74 121.20 119.21 3ne8 s ILE 342 Ca 0.19 0.33 -0.26 0.00 -1.41 0.00 0.00 60.65 59.51 3ne8 s ILE 342 Cb -0.11 -2.79 -0.08 0.00 0.13 0.00 0.00 42.46 39.60 3ne8 s ILE 342 CO 0.11 -0.26 1.40 0.54 -1.91 0.00 0.00 174.94 174.82 3ne8 s ASN 343 N -2.57 6.00 -0.88 4.50 4.22 -1.26 -3.10 114.94 121.84 3ne8 s ASN 343 Ca 0.68 2.87 -0.06 0.00 -2.14 0.00 0.00 52.86 54.21 3ne8 s ASN 343 Cb -0.23 -2.65 -0.01 0.00 1.28 0.00 0.00 41.25 39.64 3ne8 s ASN 343 CO 0.48 -1.09 0.71 0.59 -2.04 0.00 0.00 177.10 175.75 3ne8 n ASN 344 N -0.09 -6.31 0.02 3.54 5.03 -1.26 -4.88 115.26 111.31 3ne8 n ASN 344 Ca 0.05 -0.60 0.12 0.00 0.87 0.00 0.00 54.58 55.02 3ne8 n ASN 344 Cb 0.42 -3.83 0.51 0.00 -1.02 0.00 0.00 39.78 35.87 3ne8 n ASN 344 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 3ne8 n PRO 345 N -2.70 0.04 -3.56 3.52 -0.04 -1.18 -4.32 135.00 126.77 3ne8 n PRO 345 Ca -0.12 0.11 -0.41 0.00 -0.04 0.00 0.00 63.50 63.04 3ne8 n PRO 345 Cb 0.58 -1.56 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 3ne8 n PRO 345 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3ne8 s HIS 346 N -3.03 3.24 0.49 0.54 5.65 -1.26 -0.59 115.29 120.34 3ne8 s HIS 346 Ca 0.11 -0.79 0.01 0.00 0.25 0.00 0.00 55.06 54.65 3ne8 s HIS 346 Cb 0.15 -2.48 -0.01 0.00 -1.18 0.00 0.00 32.58 29.06 3ne8 s HIS 346 CO 0.47 -0.60 0.03 1.03 -0.65 0.00 0.00 174.74 175.02 3ne8 s ARG 347 N 1.60 2.15 -0.04 2.88 0.52 -0.25 -5.01 118.95 120.81 3ne8 s ARG 347 Ca 0.03 -2.37 -0.31 0.00 -0.52 0.00 0.00 55.73 52.56 3ne8 s ARG 347 Cb -0.19 -1.29 0.07 0.00 0.52 0.00 0.00 34.95 34.06 3ne8 s ARG 347 CO 0.08 -0.41 0.67 1.52 0.02 0.00 0.00 175.30 177.18 3ne8 s TYR 348 N -2.96 -0.65 0.15 -0.53 -0.85 -1.26 -1.71 117.35 109.54 3ne8 s TYR 348 Ca 0.08 1.10 -0.23 0.00 -0.52 0.00 0.00 57.07 57.50 3ne8 s TYR 348 Cb 0.01 0.41 0.08 0.00 0.38 0.00 0.00 41.96 42.84 3ne8 s TYR 348 CO 0.05 -0.61 1.08 0.00 -1.52 0.00 0.00 175.55 174.54 3ne8 s ALA 349 N -1.25 -1.73 -1.36 9.51 0.00 -1.04 -0.68 121.76 125.20 3ne8 s ALA 349 Ca -0.11 -0.26 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 3ne8 s ALA 349 Cb -0.00 0.77 0.10 0.00 0.00 0.00 0.00 23.12 24.00 3ne8 s ALA 349 CO 0.09 -1.08 2.18 -3.47 0.00 0.00 0.00 175.76 173.49 3ne8 n ASP 350 N -1.18 5.91 -4.66 0.00 2.03 -0.68 -1.94 116.55 116.04 3ne8 n ASP 350 Ca -0.02 -3.00 -0.43 0.00 0.52 0.00 0.00 54.79 51.86 3ne8 n ASP 350 Cb 0.59 -1.50 -0.02 0.00 -0.72 0.00 0.00 41.12 39.48 3ne8 n ASP 350 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3ne8 s PHE 351 N 0.80 3.09 0.46 -0.67 0.08 -1.26 -4.88 117.98 115.59 3ne8 s PHE 351 Ca 0.48 1.23 0.24 0.00 0.12 0.00 0.00 56.93 58.99 3ne8 s PHE 351 Cb 0.13 -3.44 1.40 0.00 -0.57 0.00 0.00 43.02 40.54 3ne8 s PHE 351 CO -0.04 -1.05 2.09 1.96 -0.10 0.00 0.00 175.22 178.07 3ne8 h GLN 352 N 7.92 0.00 0.00 0.44 1.08 -1.92 -1.54 115.11 121.09 3ne8 h GLN 352 Ca -0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 3ne8 h GLN 352 Cb 1.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 3ne8 h GLN 352 CO 0.99 0.11 0.00 1.55 -0.95 0.00 0.00 178.83 180.53 3ne8 n VAL 353 N -3.89 0.71 -0.71 -0.54 3.14 -1.26 -2.61 118.33 113.17 3ne8 n VAL 353 Ca -0.02 0.16 0.09 0.00 -2.96 0.00 0.00 64.34 61.60 3ne8 n VAL 353 Cb 0.21 -0.87 0.36 0.00 -1.06 0.00 0.00 33.84 32.48 3ne8 n VAL 353 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3ne8 n LEU 354 N -1.62 4.97 -0.18 6.55 4.77 -0.58 -4.63 117.00 126.27 3ne8 n LEU 354 Ca 0.04 -2.60 0.14 0.00 -0.03 0.00 0.00 56.01 53.56 3ne8 n LEU 354 Cb 0.23 -0.60 0.74 0.00 -2.33 0.00 0.00 43.42 41.46 3ne8 n LEU 354 CO 0.18 0.76 0.99 0.29 -1.33 0.00 0.00 177.39 178.28 3ne8 n LYS 355 N 0.90 1.25 -1.68 3.23 4.76 -1.07 -4.80 118.16 120.74 3ne8 n LYS 355 Ca 0.26 -0.36 -0.44 0.00 -2.87 0.00 0.00 58.31 54.90 3ne8 n LYS 355 Cb 0.97 -1.46 -0.04 0.00 -1.84 0.00 0.00 35.03 32.66 3ne8 n LYS 355 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3ne8 n ALA 356 N -0.54 1.66 0.41 7.82 0.00 -1.26 -4.83 120.51 123.76 3ne8 n ALA 356 Ca 0.21 0.30 0.13 0.00 0.00 0.00 0.00 53.44 54.08 3ne8 n ALA 356 Cb 0.19 -2.57 0.44 0.00 0.00 0.00 0.00 19.45 17.52 3ne8 n ALA 356 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3ne8 h PRO 357 N 8.94 0.00 0.00 0.00 0.13 -1.97 -3.33 132.00 135.78 3ne8 h PRO 357 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3ne8 h PRO 357 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3ne8 h PRO 357 CO 0.94 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.31 3ne8 n ASP 358 N -2.58 1.27 -3.86 1.44 3.85 -1.26 -3.54 116.55 111.86 3ne8 n ASP 358 Ca 0.03 -1.46 -0.26 0.00 -0.71 0.00 0.00 54.79 52.39 3ne8 n ASP 358 Cb 0.36 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 39.96 3ne8 n ASP 358 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3ne8 s VAL 359 N -0.46 0.84 0.23 2.12 1.01 -1.25 -5.00 120.40 117.88 3ne8 s VAL 359 Ca 0.00 -0.25 -0.32 0.00 0.00 0.00 0.00 61.98 61.41 3ne8 s VAL 359 Cb 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 36.38 35.30 3ne8 s VAL 359 CO 0.00 0.26 1.48 -2.65 0.00 0.00 0.00 175.10 174.19 3ne8 n PRO 360 N 4.99 2.17 -3.82 2.72 -0.02 -1.26 -4.70 135.00 135.08 3ne8 n PRO 360 Ca -0.11 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.02 3ne8 n PRO 360 Cb 0.49 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 3ne8 n PRO 360 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3ne8 s SER 361 N 0.48 -0.00 0.10 2.55 0.01 -1.26 -0.86 113.70 114.71 3ne8 s SER 361 Ca 0.70 0.07 0.02 0.00 1.31 0.00 0.00 55.95 58.06 3ne8 s SER 361 Cb -0.63 0.02 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 3ne8 s SER 361 CO 0.46 -0.07 -0.08 0.68 0.41 0.00 0.00 173.24 174.65 3ne8 s VAL 362 N 0.52 0.78 -0.19 3.43 -7.23 -0.68 -4.67 120.40 112.36 3ne8 s VAL 362 Ca -0.04 -1.80 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 3ne8 s VAL 362 Cb -0.06 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.36 3ne8 s VAL 362 CO -0.02 -0.74 -0.12 -0.22 -0.31 0.00 0.00 175.10 173.69 3ne8 s LEU 363 N -2.78 2.58 -0.22 1.32 0.20 -0.22 -1.02 118.68 118.54 3ne8 s LEU 363 Ca 0.09 -0.48 -0.06 0.00 0.69 0.00 0.00 54.13 54.38 3ne8 s LEU 363 Cb 0.02 -1.62 -0.02 0.00 -0.43 0.00 0.00 46.19 44.14 3ne8 s LEU 363 CO -0.03 0.02 0.01 -0.63 -0.29 0.00 0.00 176.35 175.44 3ne8 s ILE 364 N 1.20 3.92 -0.39 6.68 1.01 0.54 -0.27 121.20 133.90 3ne8 s ILE 364 Ca 0.02 -0.31 -0.24 0.00 0.00 0.00 0.00 60.65 60.12 3ne8 s ILE 364 Cb -0.14 -2.80 0.02 0.00 0.01 0.00 0.00 42.46 39.54 3ne8 s ILE 364 CO -0.05 0.39 0.82 -1.61 0.00 0.00 0.00 174.94 174.49 3ne8 s GLU 365 N 1.36 3.66 0.40 2.79 0.41 -0.11 -1.11 118.70 126.10 3ne8 s GLU 365 Ca 0.05 0.23 0.22 0.00 -0.41 0.00 0.00 54.97 55.05 3ne8 s GLU 365 Cb -0.15 -3.85 0.72 0.00 -1.78 0.00 0.00 34.13 29.08 3ne8 s GLU 365 CO 0.01 -0.96 1.74 -0.84 -0.49 0.00 0.00 175.26 174.72 3ne8 h ILE 366 N 5.85 0.65 -1.83 -1.63 3.07 -1.43 -2.18 117.51 120.01 3ne8 h ILE 366 Ca -0.24 -1.36 0.38 0.00 1.55 0.00 0.00 64.86 65.18 3ne8 h ILE 366 Cb 1.09 1.90 -0.09 0.00 -0.27 0.00 0.00 36.82 39.45 3ne8 h ILE 366 CO 0.94 0.28 0.96 -0.83 -1.05 0.00 0.00 178.15 178.46 3ne8 s GLY 367 N -4.32 -0.25 -0.23 0.16 0.00 -1.26 -4.08 107.32 97.34 3ne8 s GLY 367 Ca 0.01 0.30 -0.04 0.00 0.00 0.00 0.00 44.72 44.98 3ne8 s GLY 367 CO 0.66 4.83 -0.03 -0.19 0.00 0.00 0.00 173.10 178.38 3ne8 s TYR 368 N -2.05 2.98 -1.03 1.90 2.02 -1.26 -3.69 117.35 116.22 3ne8 s TYR 368 Ca 0.27 -0.87 0.10 0.00 -0.37 0.00 0.00 57.07 56.20 3ne8 s TYR 368 Cb 0.02 -2.13 0.43 0.00 -0.40 0.00 0.00 41.96 39.88 3ne8 s TYR 368 CO -0.03 -0.52 1.31 1.28 -1.57 0.00 0.00 175.55 176.02 3ne8 n LEU 369 N 4.81 0.00 0.09 -1.29 4.77 -0.30 -1.28 117.00 123.80 3ne8 n LEU 369 Ca -0.18 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.41 3ne8 n LEU 369 Cb 0.51 -0.49 0.46 0.00 -2.33 0.00 0.00 43.42 41.57 3ne8 n LEU 369 CO 0.29 -0.32 0.87 -1.54 -1.33 0.00 0.00 177.39 175.36 3ne8 n SER 370 N -1.49 0.56 -4.50 -1.43 3.41 -1.24 -4.61 113.62 104.32 3ne8 n SER 370 Ca 0.03 0.59 -0.34 0.00 -0.26 0.00 0.00 58.87 58.88 3ne8 n SER 370 Cb 0.11 -0.72 -0.12 0.00 -0.26 0.00 0.00 64.21 63.22 3ne8 n SER 370 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3ne8 s ASN 371 N -4.04 4.80 0.29 4.04 3.84 -0.40 -4.72 114.94 118.75 3ne8 s ASN 371 Ca 0.09 -0.13 0.03 0.00 0.21 0.00 0.00 52.86 53.05 3ne8 s ASN 371 Cb 0.12 -1.79 0.45 0.00 -0.55 0.00 0.00 41.25 39.49 3ne8 s ASN 371 CO 0.48 0.16 1.76 0.11 -2.79 0.00 0.00 177.10 176.83 3ne8 h LYS 372 N 6.74 0.50 -0.21 0.43 1.79 -1.84 -1.25 116.57 122.73 3ne8 h LYS 372 Ca -0.31 -0.17 -0.12 0.00 -2.18 0.00 0.00 60.65 57.87 3ne8 h LYS 372 Cb 1.19 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3ne8 h LYS 372 CO 0.63 0.67 -0.34 0.93 -1.08 0.00 0.00 179.45 180.26 3ne8 h GLU 373 N 0.45 0.61 -0.95 3.15 4.39 -1.95 -2.78 114.58 117.51 3ne8 h GLU 373 Ca 0.08 -0.37 0.01 0.00 0.34 0.00 0.00 59.36 59.41 3ne8 h GLU 373 Cb 0.58 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.22 3ne8 h GLU 373 CO 0.04 0.98 0.61 -0.44 -1.16 0.00 0.00 179.01 179.04 3ne8 h ASP 374 N 0.29 1.10 -1.00 1.42 5.19 -1.76 -2.18 116.42 119.48 3ne8 h ASP 374 Ca 0.02 -0.04 0.08 0.00 -0.62 0.00 0.00 57.03 56.47 3ne8 h ASP 374 Cb 0.93 -0.28 -0.07 0.00 0.18 0.00 0.00 39.33 40.09 3ne8 h ASP 374 CO 0.08 0.81 0.64 -0.08 -3.12 0.00 0.00 179.24 177.57 3ne8 h GLU 375 N 1.29 1.10 -0.49 3.56 4.81 -1.12 0.18 114.58 123.91 3ne8 h GLU 375 Ca 0.34 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3ne8 h GLU 375 Cb -0.12 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 28.99 3ne8 h GLU 375 CO -0.07 0.73 -0.00 0.87 -0.73 0.00 0.00 179.01 179.80 3ne8 h LYS 376 N 1.13 0.81 -0.23 1.92 1.57 -1.12 -2.04 116.57 118.60 3ne8 h LYS 376 Ca 0.45 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 3ne8 h LYS 376 Cb 0.24 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3ne8 h LYS 376 CO -0.19 0.81 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.35 3ne8 h LEU 377 N 0.75 0.47 -1.98 2.94 3.38 -0.98 -3.25 115.31 116.64 3ne8 h LEU 377 Ca 0.15 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3ne8 h LEU 377 Cb 0.46 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3ne8 h LEU 377 CO 0.02 0.75 -0.10 -0.07 0.09 0.00 0.00 178.44 179.13 3ne8 h LEU 378 N 0.19 0.00 -1.31 1.67 4.07 -0.38 -1.04 115.31 118.51 3ne8 h LEU 378 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3ne8 h LEU 378 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 3ne8 h LEU 378 CO 0.03 0.10 0.00 -0.46 -1.08 0.00 0.00 178.44 177.03 3ne8 n ASN 379 N -3.95 1.99 -4.46 -0.43 0.23 -0.79 -4.78 115.26 103.06 3ne8 n ASN 379 Ca -0.02 -1.73 -0.43 0.00 -0.53 0.00 0.00 54.58 51.86 3ne8 n ASN 379 Cb 0.19 -0.10 -0.08 0.00 -2.08 0.00 0.00 39.78 37.70 3ne8 n ASN 379 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3ne8 s ASN 380 N -1.66 6.17 0.46 0.53 3.84 -0.39 -4.95 114.94 118.94 3ne8 s ASN 380 Ca 0.34 -0.87 0.23 0.00 0.21 0.00 0.00 52.86 52.77 3ne8 s ASN 380 Cb 0.19 -2.21 1.10 0.00 -0.55 0.00 0.00 41.25 39.77 3ne8 s ASN 380 CO 0.29 -0.61 1.93 1.55 -2.79 0.00 0.00 177.10 177.47 3ne8 h PRO 381 N 8.75 0.00 -0.38 0.43 0.13 -1.86 -1.06 132.00 138.01 3ne8 h PRO 381 Ca -0.27 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.74 3ne8 h PRO 381 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3ne8 h PRO 381 CO 0.82 0.22 -0.24 1.96 -0.23 0.00 0.00 178.00 180.53 3ne8 h GLN 382 N 0.00 0.83 -0.39 0.86 1.08 -1.94 -0.43 115.11 115.12 3ne8 h GLN 382 Ca -0.00 -0.39 -0.05 0.00 -1.45 0.00 0.00 58.65 56.76 3ne8 h GLN 382 Cb 0.56 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.96 3ne8 h GLN 382 CO 0.03 1.02 0.04 2.35 -0.95 0.00 0.00 178.83 181.32 3ne8 h TRP 383 N 0.63 0.71 -0.82 2.96 7.01 -1.72 -1.60 115.95 123.13 3ne8 h TRP 383 Ca 0.08 -0.11 0.03 0.00 2.11 0.00 0.00 58.89 61.00 3ne8 h TRP 383 Cb 0.81 -0.19 -0.05 0.00 -2.10 0.00 0.00 29.16 27.63 3ne8 h TRP 383 CO 0.06 0.72 0.52 0.00 -2.79 0.00 0.00 178.44 176.95 3ne8 h ARG 384 N 0.50 0.99 -0.75 2.65 3.08 -1.10 -2.12 114.38 117.63 3ne8 h ARG 384 Ca 0.11 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3ne8 h ARG 384 Cb 0.41 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 3ne8 h ARG 384 CO 0.01 0.66 0.42 -0.22 -1.07 0.00 0.00 179.97 179.77 3ne8 h LYS 385 N 1.02 1.04 -0.90 0.04 3.64 -0.88 0.15 116.57 120.67 3ne8 h LYS 385 Ca 0.33 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3ne8 h LYS 385 Cb 0.01 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.62 3ne8 h LYS 385 CO -0.11 0.76 0.00 1.04 -2.27 0.00 0.00 179.45 178.87 3ne8 n GLN 386 N -4.47 0.17 0.00 1.90 6.02 -0.62 -0.61 117.38 119.77 3ne8 n GLN 386 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3ne8 n GLN 386 Cb 0.08 -1.23 0.00 0.00 1.02 0.00 0.00 30.24 30.11 3ne8 n GLN 386 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3ne8 n ALA 388 N 0.64 0.00 -0.30 -1.58 0.00 0.04 -2.25 120.51 117.05 3ne8 n ALA 388 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3ne8 n ALA 388 Cb 0.06 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.62 3ne8 n ALA 388 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ne8 h ALA 389 N 0.00 1.19 -0.28 0.00 0.00 -1.12 0.46 119.26 119.51 3ne8 h ALA 389 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3ne8 h ALA 389 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3ne8 h ALA 389 CO 0.00 0.64 -0.01 1.03 0.00 0.00 0.00 179.25 180.92 3ne8 h SER 390 N 1.20 0.49 -0.81 0.00 0.87 -1.71 -1.73 113.55 111.85 3ne8 h SER 390 Ca 0.30 -0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 3ne8 h SER 390 Cb 0.05 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 3ne8 h SER 390 CO -0.04 0.69 0.44 0.40 -0.53 0.00 0.00 176.83 177.78 3ne8 h ILE 391 N 0.28 1.24 -0.89 2.23 2.04 -1.77 -1.28 117.51 119.36 3ne8 h ILE 391 Ca 0.08 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3ne8 h ILE 391 Cb 0.44 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3ne8 h ILE 391 CO 0.02 0.27 0.46 0.00 0.00 0.00 0.00 178.15 178.90 3ne8 h ALA 392 N 1.34 1.14 -0.46 1.87 0.00 -0.70 0.43 119.26 122.87 3ne8 h ALA 392 Ca 0.29 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3ne8 h ALA 392 Cb 0.03 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 3ne8 h ALA 392 CO -0.05 0.67 0.24 -0.92 0.00 0.00 0.00 179.25 179.20 3ne8 h TYR 393 N 1.25 0.65 -0.95 0.00 3.20 -0.85 -1.08 116.97 119.19 3ne8 h TYR 393 Ca 0.31 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.18 3ne8 h TYR 393 Cb 0.07 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.08 3ne8 h TYR 393 CO 0.01 0.50 0.63 0.77 -1.64 0.00 0.00 178.16 178.43 3ne8 h SER 394 N 0.61 1.06 -0.54 -2.11 0.02 -0.51 -1.49 113.55 110.59 3ne8 h SER 394 Ca 0.16 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3ne8 h SER 394 Cb 0.08 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 3ne8 h SER 394 CO -0.02 0.75 0.24 0.40 -1.14 0.00 0.00 176.83 177.06 3ne8 h ILE 395 N 1.25 1.21 -0.82 3.27 2.04 -0.53 -0.67 117.51 123.25 3ne8 h ILE 395 Ca 0.36 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3ne8 h ILE 395 Cb -0.07 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 36.57 3ne8 h ILE 395 CO -0.10 0.24 0.42 0.03 0.00 0.00 0.00 178.15 178.75 3ne8 h ARG 396 N 0.73 1.16 -0.61 2.37 3.08 -0.72 0.13 114.38 120.53 3ne8 h ARG 396 Ca 0.18 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.01 3ne8 h ARG 396 Cb 0.15 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3ne8 h ARG 396 CO -0.02 0.87 0.09 1.96 -1.07 0.00 0.00 179.97 181.80 3ne8 h GLN 397 N 1.16 1.01 -0.70 0.04 4.20 -1.01 -1.47 115.11 118.35 3ne8 h GLN 397 Ca 0.29 -0.28 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 3ne8 h GLN 397 Cb 0.07 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 3ne8 h GLN 397 CO -0.04 0.96 0.22 0.35 -0.67 0.00 0.00 178.83 179.64 3ne8 h PHE 398 N 0.92 1.12 -0.47 2.96 3.57 -0.63 -1.86 116.94 122.55 3ne8 h PHE 398 Ca 0.18 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3ne8 h PHE 398 Cb 0.44 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 3ne8 h PHE 398 CO 0.03 0.90 0.27 0.00 -2.23 0.00 0.00 178.31 177.28 3ne8 h ALA 399 N 1.10 0.60 -0.73 2.41 0.00 -0.54 0.41 119.26 122.52 3ne8 h ALA 399 Ca 0.22 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3ne8 h ALA 399 Cb 0.31 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3ne8 h ALA 399 CO -0.01 0.12 0.47 1.49 0.00 0.00 0.00 179.25 181.32 3ne8 h GLU 400 N 0.63 0.91 0.14 0.00 4.81 -1.00 -1.32 114.58 118.74 3ne8 h GLU 400 Ca 0.17 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3ne8 h GLU 400 Cb 0.03 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.21 3ne8 h GLU 400 CO -0.03 0.60 -0.07 -0.92 -0.73 0.00 0.00 179.01 177.87 3ne8 h TYR 401 N 0.94 -0.18 -0.67 0.92 3.20 -1.02 -3.12 116.97 117.04 3ne8 h TYR 401 Ca 0.28 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.20 3ne8 h TYR 401 Cb -0.03 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3ne8 h TYR 401 CO -0.03 0.05 0.44 0.00 -1.64 0.00 0.00 178.16 176.98 3ne8 h ARG 402 N -0.39 0.71 0.00 1.82 2.47 -0.65 -1.51 114.38 116.83 3ne8 h ARG 402 Ca -0.02 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 3ne8 h ARG 402 Cb 0.31 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3ne8 h ARG 402 CO 0.03 0.47 0.00 1.04 0.56 0.00 0.00 179.97 182.07 3ne8 n GLN 403 N -4.47 0.02 0.14 0.04 6.02 -0.52 -2.42 117.38 116.18 3ne8 n GLN 403 Ca 0.09 0.12 0.13 0.00 -0.01 0.00 0.00 57.00 57.32 3ne8 n GLN 403 Cb 0.19 -1.53 0.32 0.00 1.02 0.00 0.00 30.24 30.24 3ne8 n GLN 403 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 3ne8 h LYS 404 N 0.00 0.00 0.00 -1.09 1.57 -1.22 -3.52 116.57 112.32 3ne8 h LYS 404 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3ne8 h LYS 404 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3ne8 h LYS 404 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 179.45 177.99 3ne8 n ILE 405 N -2.53 0.00 -3.26 1.86 5.41 -1.02 -5.15 119.36 114.68 3ne8 n ILE 405 Ca 0.05 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.75 3ne8 n ILE 405 Cb 0.46 -0.94 -0.04 0.00 -0.71 0.00 0.00 39.64 38.41 3ne8 n ILE 405 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 3ne8 s GLN 407 N 0.59 0.63 0.00 0.38 -0.44 -1.26 -5.09 119.66 114.47 3ne8 s GLN 407 Ca 0.00 -0.17 0.27 0.00 -2.50 0.00 0.00 55.36 52.97 3ne8 s GLN 407 Cb 0.00 -0.17 0.89 0.00 -1.64 0.00 0.00 33.01 32.09 3ne8 s GLN 407 CO 0.00 -1.13 1.65 -0.35 0.50 0.00 0.00 175.29 175.96 3ne8 n PRO 408 N 4.78 0.93 0.00 1.67 -0.05 -1.26 -5.36 135.00 135.71 3ne8 n PRO 408 Ca 0.07 -0.51 0.16 0.00 -0.05 0.00 0.00 63.50 63.17 3ne8 n PRO 408 Cb 0.52 -1.49 0.86 0.00 -0.05 0.00 0.00 33.50 33.34 3ne8 n PRO 408 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73