#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikr h ALA 205 N 0.00 0.62 -0.31 3.52 0.00 -2.05 0.16 119.26 121.19 3ikr h ALA 205 Ca 0.00 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 3ikr h ALA 205 Cb 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3ikr h ALA 205 CO 0.00 0.43 -0.22 0.66 0.00 0.00 0.00 179.25 180.13 3ikr h SER 206 N 0.66 0.72 -0.20 0.00 4.64 -2.05 -2.86 113.55 114.47 3ikr h SER 206 Ca 0.13 -0.44 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 3ikr h SER 206 Cb 0.53 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3ikr h SER 206 CO 0.03 1.01 0.09 0.25 -0.87 0.00 0.00 176.83 177.33 3ikr h LEU 207 N 0.45 0.28 0.15 5.97 5.85 -1.95 -1.36 115.31 124.69 3ikr h LEU 207 Ca 0.06 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.65 3ikr h LEU 207 Cb 0.77 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 3ikr h LEU 207 CO 0.06 0.35 -0.41 -0.09 -0.34 0.00 0.00 178.44 178.01 3ikr h ARG 208 N 0.19 -0.63 0.00 1.25 2.43 -0.70 0.13 114.38 117.05 3ikr h ARG 208 Ca 0.07 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3ikr h ARG 208 Cb 0.15 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.84 3ikr h ARG 208 CO -0.01 -0.42 -0.04 1.96 -1.51 0.00 0.00 179.97 179.95 3ikr h GLN 209 N -0.66 0.00 -0.08 0.20 1.08 -1.49 0.13 115.11 114.29 3ikr h GLN 209 Ca 0.02 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.07 3ikr h GLN 209 Cb 0.67 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.09 3ikr h GLN 209 CO -0.22 0.04 -0.60 0.37 -0.95 0.00 0.00 178.83 177.48 3ikr h GLN 210 N 0.00 0.27 -0.07 1.46 4.15 0.03 -0.62 115.11 120.33 3ikr h GLN 210 Ca -0.00 -0.18 -0.17 0.00 0.77 0.00 0.00 58.65 59.06 3ikr h GLN 210 Cb 0.10 0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.82 3ikr h GLN 210 CO 0.01 0.78 -0.64 0.28 -1.93 0.00 0.00 178.83 177.33 3ikr h VAL 211 N 0.20 1.36 -0.60 2.39 2.07 0.16 -1.56 116.25 120.27 3ikr h VAL 211 Ca -0.00 -1.97 -0.03 0.00 0.82 0.00 0.00 66.70 65.51 3ikr h VAL 211 Cb 1.10 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 33.15 3ikr h VAL 211 CO 0.09 0.59 0.25 -0.08 0.02 0.00 0.00 177.57 178.44 3ikr h GLU 212 N 0.15 0.87 -0.20 1.57 4.57 -0.81 -0.62 114.58 120.12 3ikr h GLU 212 Ca -0.06 -0.13 -0.09 0.00 -1.18 0.00 0.00 59.36 57.89 3ikr h GLU 212 Cb 1.30 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.73 3ikr h GLU 212 CO 0.13 0.71 -0.25 0.00 -1.18 0.00 0.00 179.01 178.42 3ikr h ALA 213 N 1.41 0.29 -0.21 2.92 0.00 -1.08 -2.55 119.26 120.04 3ikr h ALA 213 Ca 0.21 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 3ikr h ALA 213 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3ikr h ALA 213 CO -0.02 0.27 -0.28 1.25 0.00 0.00 0.00 179.25 180.47 3ikr h LEU 214 N 0.18 0.42 -0.83 0.00 5.85 -1.03 -2.54 115.31 117.35 3ikr h LEU 214 Ca 0.02 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.48 3ikr h LEU 214 Cb 0.81 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.71 3ikr h LEU 214 CO 0.06 0.69 -0.51 -0.61 -0.34 0.00 0.00 178.44 177.74 3ikr h GLN 215 N 0.37 0.19 -0.51 1.25 4.15 -1.10 -0.44 115.11 119.01 3ikr h GLN 215 Ca 0.05 -0.11 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 3ikr h GLN 215 Cb 0.68 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 3ikr h GLN 215 CO 0.05 0.66 0.18 0.78 -1.93 0.00 0.00 178.83 178.57 3ikr h GLY 216 N 1.39 0.84 0.98 2.39 0.00 -1.11 0.15 103.07 107.70 3ikr h GLY 216 Ca 0.00 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 3ikr h GLY 216 CO 0.08 0.45 0.26 1.46 0.00 0.00 0.00 176.54 178.79 3ikr h GLN 217 N 0.69 0.69 -0.62 4.80 4.20 -1.10 -1.13 115.11 122.65 3ikr h GLN 217 Ca 0.17 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.71 3ikr h GLN 217 Cb 0.24 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3ikr h GLN 217 CO -0.01 0.55 0.05 0.28 -0.67 0.00 0.00 178.83 179.03 3ikr h VAL 218 N 0.65 1.26 0.00 -0.54 2.07 -0.72 -0.72 116.25 118.25 3ikr h VAL 218 Ca 0.17 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 3ikr h VAL 218 Cb 0.07 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3ikr h VAL 218 CO -0.03 0.40 -0.56 1.56 0.02 0.00 0.00 177.57 178.96 3ikr h GLN 219 N 0.97 0.00 -0.19 1.57 4.20 -0.51 0.12 115.11 121.27 3ikr h GLN 219 Ca 0.18 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.73 3ikr h GLN 219 Cb 0.49 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 3ikr h GLN 219 CO 0.02 0.56 -0.54 0.45 -0.67 0.00 0.00 178.83 178.65 3ikr h HIS 220 N 0.00 0.70 -0.46 2.96 3.86 -0.96 -1.91 115.15 119.35 3ikr h HIS 220 Ca -0.01 -0.25 -0.12 0.00 -1.16 0.00 0.00 60.37 58.84 3ikr h HIS 220 Cb 1.09 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.41 3ikr h HIS 220 CO 0.00 0.98 -0.19 1.25 0.86 0.00 0.00 177.93 180.83 3ikr h LEU 221 N 0.44 0.92 -0.98 2.43 5.85 -0.65 -0.87 115.31 122.44 3ikr h LEU 221 Ca 0.01 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 3ikr h LEU 221 Cb 1.08 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 3ikr h LEU 221 CO 0.10 1.08 0.43 1.56 -0.34 0.00 0.00 178.44 181.27 3ikr h GLN 222 N 0.79 1.15 -0.21 1.25 4.20 -0.55 0.86 115.11 122.60 3ikr h GLN 222 Ca 0.11 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 3ikr h GLN 222 Cb 0.73 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3ikr h GLN 222 CO 0.06 0.86 -0.10 0.00 -0.67 0.00 0.00 178.83 178.97 3ikr h ALA 223 N 1.32 0.29 -0.52 3.87 0.00 -1.00 -1.26 119.26 121.97 3ikr h ALA 223 Ca 0.29 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3ikr h ALA 223 Cb 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3ikr h ALA 223 CO -0.04 0.13 0.14 0.00 0.00 0.00 0.00 179.25 179.48 3ikr h ALA 224 N 0.70 0.68 -0.43 0.00 0.00 -0.93 -2.16 119.26 117.12 3ikr h ALA 224 Ca 0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3ikr h ALA 224 Cb 0.59 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3ikr h ALA 224 CO 0.03 0.36 0.22 0.35 0.00 0.00 0.00 179.25 180.21 3ikr h PHE 225 N 0.71 0.61 -0.96 0.00 3.57 -0.81 -1.18 116.94 118.89 3ikr h PHE 225 Ca 0.16 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.68 3ikr h PHE 225 Cb 0.31 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.80 3ikr h PHE 225 CO 0.02 0.49 0.62 1.03 -2.23 0.00 0.00 178.31 178.24 3ikr h SER 226 N 0.56 1.03 -0.14 0.41 0.87 -1.05 0.94 113.55 116.17 3ikr h SER 226 Ca 0.15 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 3ikr h SER 226 Cb 0.10 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.82 3ikr h SER 226 CO -0.02 0.71 0.02 -0.61 -0.53 0.00 0.00 176.83 176.40 3ikr h GLN 227 N 1.20 0.24 0.00 2.24 4.15 -1.06 -2.80 115.11 119.08 3ikr h GLN 227 Ca 0.38 -0.07 -0.04 0.00 0.77 0.00 0.00 58.65 59.69 3ikr h GLN 227 Cb 0.02 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3ikr h GLN 227 CO -0.13 0.43 -0.21 1.88 -1.93 0.00 0.00 178.83 178.88 3ikr h TYR 228 N 0.02 0.00 -0.37 3.99 0.05 -0.70 -2.12 116.97 117.83 3ikr h TYR 228 Ca 0.04 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.74 3ikr h TYR 228 Cb 0.30 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 3ikr h TYR 228 CO 0.02 0.21 -0.08 -0.22 -1.05 0.00 0.00 178.16 177.04 3ikr h LYS 229 N 0.00 0.71 -0.61 4.88 3.64 -0.64 0.38 116.57 124.93 3ikr h LYS 229 Ca -0.00 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 3ikr h LYS 229 Cb 0.42 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3ikr h LYS 229 CO 0.03 0.85 0.31 0.87 -2.27 0.00 0.00 179.45 179.24 3ikr h LYS 230 N 0.51 0.87 -0.40 1.90 1.57 -1.21 -1.92 116.57 117.89 3ikr h LYS 230 Ca 0.10 -0.12 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3ikr h LYS 230 Cb 0.58 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 3ikr h LYS 230 CO 0.03 0.69 0.23 0.28 -0.57 0.00 0.00 179.45 180.12 3ikr h VAL 231 N 0.84 1.14 -0.51 0.50 2.07 -1.19 -2.91 116.25 116.19 3ikr h VAL 231 Ca 0.21 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3ikr h VAL 231 Cb 0.09 0.63 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3ikr h VAL 231 CO -0.03 0.14 0.25 -0.08 0.02 0.00 0.00 177.57 177.88 3ikr h GLU 232 N 0.53 0.48 0.00 1.57 4.57 -0.55 -2.65 114.58 118.52 3ikr h GLU 232 Ca 0.14 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 3ikr h GLU 232 Cb 0.03 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 3ikr h GLU 232 CO -0.03 0.31 0.00 -0.07 -1.18 0.00 0.00 179.01 178.05 3ikr h LEU 233 N 0.49 0.00 -9.17 1.64 3.38 -1.17 -3.43 115.31 107.05 3ikr h LEU 233 Ca 0.23 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.61 3ikr h LEU 233 Cb 0.14 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.80 3ikr h LEU 233 CO -0.16 0.00 0.08 0.12 0.09 0.00 0.00 178.44 178.57 3ikr s PHE 234 N -3.71 3.41 -0.75 1.13 5.36 -1.00 -0.37 117.98 122.06 3ikr s PHE 234 Ca 0.00 0.96 0.09 0.00 -0.96 0.00 0.00 56.93 57.02 3ikr s PHE 234 Cb 0.10 -2.77 0.25 0.00 -0.34 0.00 0.00 43.02 40.26 3ikr s PHE 234 CO 0.47 -0.11 1.21 -0.35 -1.46 0.00 0.00 175.22 174.98 3ikr n PRO 235 N 4.75 2.89 -0.28 10.12 -0.04 -1.26 -4.90 135.00 146.27 3ikr n PRO 235 Ca -0.02 -1.97 0.11 0.00 -0.04 0.00 0.00 63.50 61.58 3ikr n PRO 235 Cb 0.50 -1.23 0.26 0.00 -0.04 0.00 0.00 33.50 32.99 3ikr n PRO 235 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3ikr n ASN 236 N 0.32 3.64 -4.32 3.54 3.02 -1.05 -4.99 115.26 115.41 3ikr n ASN 236 Ca 0.10 -1.98 -0.17 0.00 -0.03 0.00 0.00 54.58 52.49 3ikr n ASN 236 Cb 0.40 -0.37 -0.10 0.00 -0.61 0.00 0.00 39.78 39.10 3ikr n ASN 236 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3ikr s GLY 237 N -1.14 1.42 -0.11 7.41 0.00 0.51 -1.51 107.32 113.90 3ikr s GLY 237 Ca 0.42 -1.69 -0.05 0.00 0.00 0.00 0.00 44.72 43.40 3ikr s GLY 237 CO 0.30 -1.68 0.24 1.20 0.00 0.00 0.00 173.10 173.17 3ikr s GLN 238 N -3.78 0.18 -0.12 2.90 -1.52 -0.09 -4.70 119.66 112.53 3ikr s GLN 238 Ca 0.24 0.57 -0.06 0.00 -1.95 0.00 0.00 55.36 54.16 3ikr s GLN 238 Cb 0.04 -0.11 -0.04 0.00 -0.22 0.00 0.00 33.01 32.68 3ikr s GLN 238 CO 0.06 -0.20 0.11 -1.54 -0.25 0.00 0.00 175.29 173.47 3ikr s SER 239 N 1.56 6.10 -0.19 5.90 1.04 -1.26 -0.63 113.70 126.22 3ikr s SER 239 Ca -0.06 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.69 3ikr s SER 239 Cb -0.11 -1.94 0.09 0.00 0.10 0.00 0.00 66.02 64.17 3ikr s SER 239 CO -0.08 0.38 0.32 0.54 0.98 0.00 0.00 173.24 175.37 3ikr s VAL 240 N -0.86 -0.50 0.00 5.02 0.11 -0.16 -5.02 120.40 118.99 3ikr s VAL 240 Ca 0.14 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.27 3ikr s VAL 240 Cb -0.12 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.10 3ikr s VAL 240 CO 0.03 -0.02 0.00 0.61 -3.33 0.00 0.00 175.10 172.39 3ikr n GLY 241 N 5.36 2.37 1.08 6.54 0.00 -1.26 -1.43 105.19 117.84 3ikr n GLY 241 Ca -0.06 -0.40 0.11 0.00 0.00 0.00 0.00 46.02 45.67 3ikr n GLY 241 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3ikr n GLU 242 N 13.35 2.39 -3.91 1.61 1.02 -1.26 -4.94 120.64 128.90 3ikr n GLU 242 Ca 0.00 -2.13 -0.33 0.00 -0.02 0.00 0.00 57.16 54.69 3ikr n GLU 242 Cb 0.00 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.88 3ikr n GLU 242 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3ikr s LYS 243 N -1.40 3.43 -0.10 3.49 2.20 -0.52 -5.02 119.74 121.83 3ikr s LYS 243 Ca 0.39 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 3ikr s LYS 243 Cb 0.22 -3.08 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 3ikr s LYS 243 CO 0.30 0.66 -0.11 0.42 -0.36 0.00 0.00 175.35 176.26 3ikr s ILE 244 N -1.36 1.19 -0.13 5.43 1.01 -0.61 -0.99 121.20 125.74 3ikr s ILE 244 Ca 0.29 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.42 3ikr s ILE 244 Cb -0.13 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3ikr s ILE 244 CO 0.21 0.38 0.13 -0.36 0.00 0.00 0.00 174.94 175.29 3ikr s PHE 245 N 1.15 3.53 -0.09 3.97 0.08 0.19 -0.65 117.98 126.16 3ikr s PHE 245 Ca -0.05 0.47 -0.05 0.00 0.12 0.00 0.00 56.93 57.42 3ikr s PHE 245 Cb -0.14 -1.96 0.04 0.00 -0.57 0.00 0.00 43.02 40.39 3ikr s PHE 245 CO -0.03 0.65 0.22 0.21 -0.10 0.00 0.00 175.22 176.18 3ikr s LYS 246 N -0.83 0.19 0.05 0.44 2.20 -0.13 -0.91 119.74 120.75 3ikr s LYS 246 Ca 0.14 0.45 -0.06 0.00 -0.36 0.00 0.00 55.97 56.14 3ikr s LYS 246 Cb -0.12 -0.08 -0.05 0.00 -1.51 0.00 0.00 37.83 36.07 3ikr s LYS 246 CO 0.03 -0.14 0.29 -0.08 -0.36 0.00 0.00 175.35 175.10 3ikr s THR 247 N 1.00 5.27 -0.75 3.43 -1.32 -0.57 -1.10 115.64 121.59 3ikr s THR 247 Ca -0.07 0.08 0.26 0.00 -1.21 0.00 0.00 61.69 60.75 3ikr s THR 247 Cb -0.09 -3.59 0.23 0.00 -1.51 0.00 0.00 72.50 67.54 3ikr s THR 247 CO -0.06 0.27 1.70 0.00 -2.21 0.00 0.00 174.62 174.32 3ikr n ALA 248 N 0.79 2.44 -0.63 11.08 0.00 -0.50 -4.93 120.51 128.77 3ikr n ALA 248 Ca -0.08 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3ikr n ALA 248 Cb 0.52 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3ikr n ALA 248 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikr n GLY 249 N 1.34 0.98 3.34 0.00 0.00 -1.26 -5.03 105.19 104.55 3ikr n GLY 249 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.90 3ikr n GLY 249 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ikr s PHE 250 N -3.33 1.59 0.12 1.61 -0.12 -1.26 -5.02 117.98 111.56 3ikr s PHE 250 Ca 0.00 -1.11 0.03 0.00 -0.05 0.00 0.00 56.93 55.80 3ikr s PHE 250 Cb 0.00 -0.95 -0.04 0.00 -0.63 0.00 0.00 43.02 41.40 3ikr s PHE 250 CO 0.00 -0.24 0.14 0.14 -0.05 0.00 0.00 175.22 175.21 3ikr s VAL 251 N -3.64 4.73 0.14 -2.49 -7.23 -1.26 -1.65 120.40 109.00 3ikr s VAL 251 Ca 0.36 -0.83 -0.18 0.00 -1.81 0.00 0.00 61.98 59.52 3ikr s VAL 251 Cb 0.08 -3.35 0.05 0.00 0.56 0.00 0.00 36.38 33.71 3ikr s VAL 251 CO 0.13 0.01 0.47 -0.54 -0.31 0.00 0.00 175.10 174.86 3ikr s LYS 252 N -2.78 1.15 0.78 4.82 -0.14 -0.57 -4.82 119.74 118.17 3ikr s LYS 252 Ca 0.31 -0.64 -0.11 0.00 -1.36 0.00 0.00 55.97 54.18 3ikr s LYS 252 Cb -0.11 0.51 0.06 0.00 -1.68 0.00 0.00 37.83 36.60 3ikr s LYS 252 CO 0.24 -0.47 1.08 -2.14 -0.76 0.00 0.00 175.35 173.31 3ikr s PRO 253 N -3.79 2.24 0.15 -1.68 0.02 -1.26 -1.66 135.00 129.02 3ikr s PRO 253 Ca 0.02 1.03 -0.26 0.00 0.02 0.00 0.00 61.00 61.81 3ikr s PRO 253 Cb 0.01 -1.91 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3ikr s PRO 253 CO -0.12 -1.61 1.59 0.35 -0.33 0.00 0.00 177.00 176.88 3ikr h PHE 254 N -1.10 -1.05 -0.69 6.54 3.57 -1.47 -0.61 116.94 122.12 3ikr h PHE 254 Ca -0.45 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.21 3ikr h PHE 254 Cb 1.24 0.50 -0.07 0.00 2.79 0.00 0.00 35.95 40.41 3ikr h PHE 254 CO 0.56 -0.42 0.32 1.15 -2.23 0.00 0.00 178.31 177.68 3ikr h THR 255 N -0.35 0.81 -0.51 4.41 2.02 -1.93 0.29 112.91 117.65 3ikr h THR 255 Ca 0.13 -0.19 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 3ikr h THR 255 Cb 0.57 0.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3ikr h THR 255 CO -0.48 0.10 -0.13 -0.33 0.37 0.00 0.00 175.52 175.05 3ikr h GLU 256 N 0.54 0.98 -0.39 6.66 5.08 -1.84 -1.75 114.58 123.87 3ikr h GLU 256 Ca 0.35 -0.38 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3ikr h GLU 256 Cb 0.40 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3ikr h GLU 256 CO -0.29 1.05 0.12 0.00 -1.00 0.00 0.00 179.01 178.89 3ikr h ALA 257 N 0.90 0.51 -0.74 3.43 0.00 -0.27 -1.77 119.26 121.31 3ikr h ALA 257 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3ikr h ALA 257 Cb 0.70 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3ikr h ALA 257 CO 0.05 0.16 0.48 0.37 0.00 0.00 0.00 179.25 180.31 3ikr h GLN 258 N 0.48 0.92 -0.63 0.00 4.15 -0.36 -2.29 115.11 117.39 3ikr h GLN 258 Ca 0.13 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.42 3ikr h GLN 258 Cb 0.26 -0.21 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 3ikr h GLN 258 CO -0.00 0.61 0.13 1.25 -1.93 0.00 0.00 178.83 178.89 3ikr h LEU 259 N 0.95 0.98 -0.46 -2.39 5.85 -1.08 -1.78 115.31 117.37 3ikr h LEU 259 Ca 0.29 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3ikr h LEU 259 Cb -0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3ikr h LEU 259 CO -0.09 0.97 0.28 -0.07 -0.34 0.00 0.00 178.44 179.19 3ikr h LEU 260 N 0.94 0.47 -0.37 2.25 3.38 -0.89 -0.02 115.31 121.06 3ikr h LEU 260 Ca 0.20 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3ikr h LEU 260 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3ikr h LEU 260 CO 0.01 0.34 -0.03 0.00 0.09 0.00 0.00 178.44 178.85 3ikr h THR 262 N 0.49 1.26 0.00 0.00 1.35 -1.14 0.20 112.91 115.07 3ikr h THR 262 Ca 0.10 -1.00 -0.06 0.00 -0.55 0.00 0.00 66.41 64.91 3ikr h THR 262 Cb 0.51 0.73 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 3ikr h THR 262 CO 0.03 0.37 -0.27 1.56 -0.25 0.00 0.00 175.52 176.96 3ikr h GLN 263 N 0.90 0.00 -0.00 4.72 4.20 -0.96 -1.78 115.11 122.19 3ikr h GLN 263 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3ikr h GLN 263 Cb 0.42 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3ikr h GLN 263 CO 0.01 0.27 -0.00 0.00 -0.67 0.00 0.00 178.83 178.43 3ikr n ALA 264 N -2.47 2.66 -0.51 3.87 0.00 -0.83 -4.88 120.51 118.36 3ikr n ALA 264 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3ikr n ALA 264 Cb 0.32 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3ikr n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ikr n GLY 265 N 1.06 0.71 0.00 0.00 0.00 -0.67 -5.04 105.19 101.26 3ikr n GLY 265 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3ikr n GLY 265 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikr n GLY 266 N -2.51 5.37 3.65 -0.02 0.00 0.02 -4.97 105.19 106.74 3ikr n GLY 266 Ca 0.00 -1.31 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 3ikr n GLY 266 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3ikr s GLN 267 N 2.92 1.55 0.66 1.61 -2.07 -1.05 -3.56 119.66 119.72 3ikr s GLN 267 Ca 0.00 -0.90 -0.18 0.00 -1.82 0.00 0.00 55.36 52.46 3ikr s GLN 267 Cb 0.00 0.56 -0.00 0.00 -1.09 0.00 0.00 33.01 32.48 3ikr s GLN 267 CO 0.00 -0.69 1.27 -0.51 -1.32 0.00 0.00 175.29 174.04 3ikr s LEU 268 N -2.89 3.54 -0.13 2.60 1.43 -1.26 -0.07 118.68 121.88 3ikr s LEU 268 Ca 0.10 2.56 -0.40 0.00 -1.03 0.00 0.00 54.13 55.36 3ikr s LEU 268 Cb -0.03 -4.61 -0.18 0.00 0.03 0.00 0.00 46.19 41.40 3ikr s LEU 268 CO 0.01 -2.02 1.45 0.00 0.23 0.00 0.00 176.35 176.02 3ikr n ALA 269 N -2.03 -1.32 -3.42 4.21 0.00 -0.29 -4.22 120.51 113.44 3ikr n ALA 269 Ca 0.15 0.49 -0.26 0.00 0.00 0.00 0.00 53.44 53.82 3ikr n ALA 269 Cb 0.49 -2.03 -0.09 0.00 0.00 0.00 0.00 19.45 17.81 3ikr n ALA 269 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3ikr n SER 270 N 3.43 1.36 -4.67 0.00 7.64 -1.26 -1.20 113.62 118.91 3ikr n SER 270 Ca 0.23 -2.88 -0.42 0.00 1.01 0.00 0.00 58.87 56.81 3ikr n SER 270 Cb 0.11 -0.65 -0.03 0.00 -1.01 0.00 0.00 64.21 62.64 3ikr n SER 270 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 3ikr s PRO 271 N -1.24 4.15 0.00 1.43 0.04 -1.26 -4.87 135.00 133.25 3ikr s PRO 271 Ca 0.34 2.51 0.12 0.00 0.04 0.00 0.00 61.00 64.01 3ikr s PRO 271 Cb 0.10 -3.89 0.33 0.00 0.04 0.00 0.00 34.50 31.08 3ikr s PRO 271 CO -0.12 -0.87 1.26 0.54 0.04 0.00 0.00 177.00 177.85 3ikr n ARG 272 N 6.66 2.66 -3.82 4.56 1.74 -1.26 -4.81 116.66 122.39 3ikr n ARG 272 Ca 0.18 -2.06 -0.07 0.00 -0.77 0.00 0.00 57.85 55.13 3ikr n ARG 272 Cb 0.40 -1.31 -0.02 0.00 -1.02 0.00 0.00 32.46 30.52 3ikr n ARG 272 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3ikr s SER 273 N -1.01 -0.27 0.26 0.55 1.04 -1.26 -4.54 113.70 108.47 3ikr s SER 273 Ca 0.26 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 56.10 3ikr s SER 273 Cb 0.14 0.70 0.32 0.00 0.10 0.00 0.00 66.02 67.28 3ikr s SER 273 CO 0.18 -1.29 1.87 0.00 0.98 0.00 0.00 173.24 174.98 3ikr h ALA 274 N 2.00 1.23 -0.40 5.32 0.00 -1.98 -0.55 119.26 124.87 3ikr h ALA 274 Ca -0.20 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 3ikr h ALA 274 Cb 1.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3ikr h ALA 274 CO 0.24 0.60 0.10 0.00 0.00 0.00 0.00 179.25 180.19 3ikr h ALA 275 N 1.33 0.53 -0.56 0.00 0.00 -1.99 -0.75 119.26 117.82 3ikr h ALA 275 Ca 0.26 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3ikr h ALA 275 Cb 0.10 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3ikr h ALA 275 CO -0.04 0.21 -0.06 0.93 0.00 0.00 0.00 179.25 180.29 3ikr h GLU 276 N 0.51 1.03 -0.81 0.00 5.08 -1.88 -2.16 114.58 116.36 3ikr h GLU 276 Ca 0.13 -0.36 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 3ikr h GLU 276 Cb 0.31 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3ikr h GLU 276 CO 0.00 1.05 0.41 -0.97 -1.00 0.00 0.00 179.01 178.50 3ikr h ASN 277 N 0.93 1.05 -0.75 1.42 -1.24 -0.90 -1.34 115.58 114.76 3ikr h ASN 277 Ca 0.15 -0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.00 3ikr h ASN 277 Cb 0.63 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.37 3ikr h ASN 277 CO 0.04 0.88 0.33 0.00 -1.29 0.00 0.00 177.43 177.40 3ikr h ALA 278 N 1.21 0.96 -0.34 1.57 0.00 -0.90 0.49 119.26 122.26 3ikr h ALA 278 Ca 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3ikr h ALA 278 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3ikr h ALA 278 CO -0.04 0.55 0.09 0.00 0.00 0.00 0.00 179.25 179.86 3ikr h ALA 279 N 1.17 0.45 -0.77 0.00 0.00 -0.97 -2.55 119.26 116.58 3ikr h ALA 279 Ca 0.25 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3ikr h ALA 279 Cb 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3ikr h ALA 279 CO -0.03 0.11 0.33 1.25 0.00 0.00 0.00 179.25 180.91 3ikr h LEU 280 N 0.40 1.04 -1.69 0.00 5.85 -1.01 -2.33 115.31 117.57 3ikr h LEU 280 Ca 0.11 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.74 3ikr h LEU 280 Cb 0.28 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3ikr h LEU 280 CO -0.00 0.91 0.30 -0.61 -0.34 0.00 0.00 178.44 178.70 3ikr h GLN 281 N 1.11 0.38 -0.82 1.25 4.15 -0.58 -1.97 115.11 118.63 3ikr h GLN 281 Ca 0.26 -0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.66 3ikr h GLN 281 Cb 0.18 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.74 3ikr h GLN 281 CO -0.03 0.25 0.50 1.96 -1.93 0.00 0.00 178.83 179.59 3ikr h GLN 282 N 0.39 1.11 -0.36 1.69 4.20 -1.02 0.10 115.11 121.23 3ikr h GLN 282 Ca 0.19 -0.09 -0.16 0.00 0.06 0.00 0.00 58.65 58.65 3ikr h GLN 282 Cb 0.28 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.82 3ikr h GLN 282 CO -0.05 0.77 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.41 3ikr h LEU 283 N 1.13 0.97 -0.68 1.46 3.38 -1.43 -0.53 115.31 119.61 3ikr h LEU 283 Ca 0.30 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3ikr h LEU 283 Cb -0.06 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 3ikr h LEU 283 CO -0.06 1.26 0.38 0.58 0.09 0.00 0.00 178.44 180.69 3ikr h VAL 284 N 0.71 1.21 -0.50 1.22 2.07 -1.15 -0.83 116.25 118.96 3ikr h VAL 284 Ca 0.05 -0.50 -0.11 0.00 0.82 0.00 0.00 66.70 66.96 3ikr h VAL 284 Cb 1.01 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3ikr h VAL 284 CO 0.10 0.22 -0.13 0.58 0.02 0.00 0.00 177.57 178.36 3ikr h VAL 285 N 0.93 1.27 -0.68 2.57 2.07 -0.88 0.29 116.25 121.81 3ikr h VAL 285 Ca 0.24 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 3ikr h VAL 285 Cb 0.02 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3ikr h VAL 285 CO -0.04 0.45 0.35 0.00 0.02 0.00 0.00 177.57 178.34 3ikr h ALA 286 N 0.90 0.88 0.00 1.67 0.00 -0.68 -2.56 119.26 119.47 3ikr h ALA 286 Ca 0.13 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3ikr h ALA 286 Cb 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3ikr h ALA 286 CO 0.05 0.42 -0.53 1.63 0.00 0.00 0.00 179.25 180.82 3ikr n LYS 287 N -4.47 0.09 -3.80 0.00 4.76 -0.36 -4.95 118.16 109.42 3ikr n LYS 287 Ca 0.05 0.02 -0.26 0.00 -2.87 0.00 0.00 58.31 55.25 3ikr n LYS 287 Cb 0.11 -1.55 0.04 0.00 -1.84 0.00 0.00 35.03 31.79 3ikr n LYS 287 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3ikr n ASN 288 N -1.67 -3.80 -3.68 4.39 5.15 0.97 -4.98 115.26 111.63 3ikr n ASN 288 Ca 0.05 -0.76 -0.16 0.00 -0.60 0.00 0.00 54.58 53.11 3ikr n ASN 288 Cb 0.37 -4.10 -0.15 0.00 -0.53 0.00 0.00 39.78 35.36 3ikr n ASN 288 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3ikr s GLU 289 N -6.36 0.05 0.53 1.20 0.41 -0.95 -5.04 118.70 108.55 3ikr s GLU 289 Ca 0.44 0.53 -0.22 0.00 -0.41 0.00 0.00 54.97 55.30 3ikr s GLU 289 Cb -0.21 -0.24 -0.06 0.00 -1.78 0.00 0.00 34.13 31.84 3ikr s GLU 289 CO 0.81 -0.27 1.33 0.00 -0.49 0.00 0.00 175.26 176.64 3ikr n ALA 290 N 5.07 1.51 -2.44 5.21 0.00 -1.26 -4.63 120.51 123.98 3ikr n ALA 290 Ca -0.10 0.14 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 3ikr n ALA 290 Cb 0.50 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.51 3ikr n ALA 290 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikr s ALA 291 N -1.28 2.54 0.32 0.00 0.00 -0.90 -0.91 121.76 121.52 3ikr s ALA 291 Ca 0.70 -1.73 -0.21 0.00 0.00 0.00 0.00 51.96 50.72 3ikr s ALA 291 Cb -0.43 -0.27 -0.09 0.00 0.00 0.00 0.00 23.12 22.33 3ikr s ALA 291 CO 0.51 0.32 0.84 -0.06 0.00 0.00 0.00 175.76 177.36 3ikr s PHE 292 N -2.18 3.54 0.50 0.00 0.08 -1.11 -0.39 117.98 118.42 3ikr s PHE 292 Ca 0.24 1.53 0.08 0.00 0.12 0.00 0.00 56.93 58.90 3ikr s PHE 292 Cb -0.06 -2.75 0.04 0.00 -0.57 0.00 0.00 43.02 39.69 3ikr s PHE 292 CO 0.12 0.16 0.62 -0.51 -0.10 0.00 0.00 175.22 175.51 3ikr s LEU 293 N -2.44 3.25 0.34 -0.37 1.43 0.21 -4.44 118.68 116.66 3ikr s LEU 293 Ca 0.51 -0.77 0.22 0.00 -1.03 0.00 0.00 54.13 53.06 3ikr s LEU 293 Cb -0.14 -1.92 0.19 0.00 0.03 0.00 0.00 46.19 44.34 3ikr s LEU 293 CO 0.19 -1.05 1.39 0.77 0.23 0.00 0.00 176.35 177.88 3ikr h SER 294 N 0.50 0.00 -3.92 2.29 4.64 -1.33 -3.43 113.55 112.30 3ikr h SER 294 Ca -0.35 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.48 3ikr h SER 294 Cb 1.28 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.39 3ikr h SER 294 CO 0.46 0.08 0.41 -0.04 -0.87 0.00 0.00 176.83 176.88 3ikr s MET 295 N -3.21 4.31 0.13 4.77 -1.94 -1.26 -4.51 119.30 117.58 3ikr s MET 295 Ca 0.04 1.54 -0.07 0.00 -1.71 0.00 0.00 55.69 55.49 3ikr s MET 295 Cb 0.07 -2.69 -0.01 0.00 2.01 0.00 0.00 34.83 34.20 3ikr s MET 295 CO 0.72 -0.02 0.20 0.95 -0.01 0.00 0.00 175.02 176.86 3ikr s THR 296 N -1.56 0.10 -0.24 2.05 -4.23 -0.88 -3.66 115.64 107.23 3ikr s THR 296 Ca 0.54 -1.44 0.11 0.00 -1.18 0.00 0.00 61.69 59.72 3ikr s THR 296 Cb -0.23 -1.72 0.45 0.00 1.34 0.00 0.00 72.50 72.33 3ikr s THR 296 CO 0.29 -0.46 1.19 -0.90 -0.54 0.00 0.00 174.62 174.20 3ikr n ASP 297 N -0.13 3.10 -0.08 3.99 5.75 -0.93 -1.07 116.55 127.17 3ikr n ASP 297 Ca -0.10 -3.56 -0.04 0.00 -0.01 0.00 0.00 54.79 51.08 3ikr n ASP 297 Cb 0.63 -0.42 0.17 0.00 -1.03 0.00 0.00 41.12 40.46 3ikr n ASP 297 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3ikr h SER 298 N 1.66 0.71 -0.08 -1.12 0.02 -1.85 -3.05 113.55 109.83 3ikr h SER 298 Ca 0.14 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.83 3ikr h SER 298 Cb 1.33 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3ikr h SER 298 CO 0.36 0.81 -0.23 0.50 -1.14 0.00 0.00 176.83 177.13 3ikr h LYS 299 N 0.68 0.30 -3.34 3.45 3.64 -1.89 -3.42 116.57 115.99 3ikr h LYS 299 Ca 0.13 -0.22 -0.52 0.00 -1.27 0.00 0.00 60.65 58.77 3ikr h LYS 299 Cb 0.49 0.04 -0.40 0.00 -0.41 0.00 0.00 32.23 31.94 3ikr h LYS 299 CO 0.03 0.83 -0.76 0.99 -2.27 0.00 0.00 179.45 178.27 3ikr s THR 300 N -3.83 0.39 0.11 1.00 2.01 -1.22 -5.11 115.64 108.99 3ikr s THR 300 Ca -0.14 -0.67 -0.36 0.00 0.31 0.00 0.00 61.69 60.83 3ikr s THR 300 Cb 0.04 -1.06 -0.16 0.00 0.01 0.00 0.00 72.50 71.33 3ikr s THR 300 CO 0.76 -0.39 1.42 1.21 -0.69 0.00 0.00 174.62 176.93 3ikr n GLU 301 N 5.09 1.49 0.00 4.92 4.07 -1.15 -1.00 120.64 134.05 3ikr n GLU 301 Ca -0.07 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.57 3ikr n GLU 301 Cb 0.46 -2.22 0.00 0.00 -0.06 0.00 0.00 31.44 29.61 3ikr n GLU 301 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3ikr n GLY 302 N 2.83 2.72 3.16 8.31 0.00 -1.26 -5.00 105.19 115.95 3ikr n GLY 302 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3ikr n GLY 302 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ikr s LYS 303 N -0.70 2.36 0.16 1.61 2.20 -0.17 -5.07 119.74 120.12 3ikr s LYS 303 Ca 0.00 -1.93 -0.29 0.00 -0.36 0.00 0.00 55.97 53.39 3ikr s LYS 303 Cb 0.00 -3.79 -0.07 0.00 -1.51 0.00 0.00 37.83 32.46 3ikr s LYS 303 CO 0.00 -1.15 0.92 -0.06 -0.36 0.00 0.00 175.35 174.70 3ikr s PHE 304 N 1.01 3.88 0.09 4.03 0.40 -1.26 -4.27 117.98 121.87 3ikr s PHE 304 Ca 0.09 1.80 0.00 0.00 -0.60 0.00 0.00 56.93 58.22 3ikr s PHE 304 Cb -0.23 -2.98 -0.04 0.00 0.51 0.00 0.00 43.02 40.27 3ikr s PHE 304 CO -0.03 0.33 -0.03 0.95 0.70 0.00 0.00 175.22 177.14 3ikr s THR 305 N -0.51 0.44 0.75 0.64 -4.23 -0.24 -3.27 115.64 109.21 3ikr s THR 305 Ca 0.43 -1.89 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 3ikr s THR 305 Cb -0.24 -1.73 0.05 0.00 1.34 0.00 0.00 72.50 71.92 3ikr s THR 305 CO 0.30 -0.81 1.12 -0.31 -0.54 0.00 0.00 174.62 174.37 3ikr s TYR 306 N -3.79 3.13 0.52 3.99 2.02 -0.25 -2.06 117.35 120.90 3ikr s TYR 306 Ca 0.13 0.86 0.31 0.00 -0.37 0.00 0.00 57.07 58.00 3ikr s TYR 306 Cb 0.07 -3.25 1.44 0.00 -0.40 0.00 0.00 41.96 39.81 3ikr s TYR 306 CO -0.05 -1.44 1.85 -1.35 -1.57 0.00 0.00 175.55 172.99 3ikr h PRO 307 N -0.81 0.07 0.00 -1.71 0.11 -1.90 0.15 132.00 127.91 3ikr h PRO 307 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3ikr h PRO 307 Cb 1.29 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3ikr h PRO 307 CO 0.64 0.04 0.00 1.79 -0.21 0.00 0.00 178.00 180.27 3ikr h THR 308 N 0.07 0.00 0.00 -1.15 1.35 -1.98 -3.46 112.91 107.74 3ikr h THR 308 Ca 0.49 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 3ikr h THR 308 Cb 1.81 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.59 3ikr h THR 308 CO -0.05 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 3ikr n GLY 309 N 0.24 0.35 3.77 5.82 0.00 0.53 -5.07 105.19 110.82 3ikr n GLY 309 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 3ikr n GLY 309 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3ikr s GLU 310 N -0.79 4.32 0.56 1.61 2.12 -1.26 -4.73 118.70 120.53 3ikr s GLU 310 Ca 0.00 2.06 -0.17 0.00 0.36 0.00 0.00 54.97 57.22 3ikr s GLU 310 Cb 0.00 -2.99 -0.05 0.00 0.26 0.00 0.00 34.13 31.35 3ikr s GLU 310 CO 0.00 -0.16 1.05 -1.12 -0.54 0.00 0.00 175.26 174.49 3ikr s SER 311 N -0.71 5.96 0.38 -1.70 0.01 -1.26 -1.09 113.70 115.29 3ikr s SER 311 Ca 0.50 1.86 -0.26 0.00 1.31 0.00 0.00 55.95 59.36 3ikr s SER 311 Cb -0.36 -2.54 -0.11 0.00 0.21 0.00 0.00 66.02 63.21 3ikr s SER 311 CO 0.48 -1.04 1.14 0.18 0.41 0.00 0.00 173.24 174.41 3ikr n LEU 312 N -1.67 3.08 -0.26 2.44 4.77 -1.20 -4.85 117.00 119.31 3ikr n LEU 312 Ca 0.09 1.12 0.04 0.00 -0.03 0.00 0.00 56.01 57.23 3ikr n LEU 312 Cb 0.53 -1.41 0.02 0.00 -2.33 0.00 0.00 43.42 40.22 3ikr n LEU 312 CO 0.45 -1.01 0.29 1.33 -1.33 0.00 0.00 177.39 177.12 3ikr n VAL 313 N -0.11 0.00 -3.58 4.08 0.24 -1.26 -4.99 118.33 112.71 3ikr n VAL 313 Ca 0.08 -0.46 -0.16 0.00 -2.04 0.00 0.00 64.34 61.76 3ikr n VAL 313 Cb 0.37 1.14 -0.07 0.00 -1.47 0.00 0.00 33.84 33.81 3ikr n VAL 313 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3ikr s TYR 314 N -0.92 -0.72 0.03 6.34 5.04 -1.26 -4.95 117.35 120.90 3ikr s TYR 314 Ca 0.08 1.54 -0.16 0.00 -2.44 0.00 0.00 57.07 56.09 3ikr s TYR 314 Cb 0.07 0.34 0.03 0.00 0.35 0.00 0.00 41.96 42.74 3ikr s TYR 314 CO 0.15 -0.48 0.35 -1.54 -1.34 0.00 0.00 175.55 172.69 3ikr s SER 315 N -0.36 -0.21 -0.33 4.32 1.04 -1.26 -4.95 113.70 111.95 3ikr s SER 315 Ca -0.05 -0.04 0.16 0.00 0.48 0.00 0.00 55.95 56.51 3ikr s SER 315 Cb -0.03 0.38 0.45 0.00 0.10 0.00 0.00 66.02 66.91 3ikr s SER 315 CO 0.05 -0.59 1.01 -3.20 0.98 0.00 0.00 173.24 171.49 3ikr n ASN 316 N 0.72 0.86 -4.76 7.02 5.15 -1.26 -5.08 115.26 117.91 3ikr n ASN 316 Ca -0.19 -2.68 -0.41 0.00 -0.60 0.00 0.00 54.58 50.70 3ikr n ASN 316 Cb 0.59 -0.27 -0.01 0.00 -0.53 0.00 0.00 39.78 39.56 3ikr n ASN 316 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 3ikr s TRP 317 N -2.55 2.70 0.67 1.20 0.52 -1.26 -0.32 118.94 119.90 3ikr s TRP 317 Ca 0.26 0.98 -0.14 0.00 0.02 0.00 0.00 56.10 57.22 3ikr s TRP 317 Cb 0.45 -4.03 0.01 0.00 -1.15 0.00 0.00 33.47 28.75 3ikr s TRP 317 CO 0.02 -3.24 1.10 0.00 0.02 0.00 0.00 176.95 174.85 3ikr s ALA 318 N -0.53 2.45 0.14 0.98 0.00 0.38 -4.69 121.76 120.48 3ikr s ALA 318 Ca 0.58 0.49 -0.35 0.00 0.00 0.00 0.00 51.96 52.68 3ikr s ALA 318 Cb -0.47 -3.30 -0.15 0.00 0.00 0.00 0.00 23.12 19.20 3ikr s ALA 318 CO 0.55 -1.33 1.46 -2.30 0.00 0.00 0.00 175.76 174.13 3ikr n PRO 319 N -2.59 1.72 -0.11 0.00 -0.02 -1.26 -1.21 135.00 131.53 3ikr n PRO 319 Ca 0.10 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3ikr n PRO 319 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3ikr n PRO 319 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ikr n GLY 320 N 2.95 1.14 3.78 -1.23 0.00 -1.26 -5.05 105.19 105.52 3ikr n GLY 320 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 3ikr n GLY 320 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ikr s GLU 321 N -0.57 2.81 0.07 1.61 0.41 -0.35 -3.94 118.70 118.74 3ikr s GLU 321 Ca 0.00 -0.93 -0.25 0.00 -0.41 0.00 0.00 54.97 53.37 3ikr s GLU 321 Cb 0.00 -2.58 -0.06 0.00 -1.78 0.00 0.00 34.13 29.71 3ikr s GLU 321 CO 0.00 0.47 0.78 -1.25 -0.49 0.00 0.00 175.26 174.77 3ikr s PRO 322 N -3.16 4.52 0.00 0.39 0.04 -1.26 -4.68 135.00 130.85 3ikr s PRO 322 Ca 0.31 1.10 0.13 0.00 0.04 0.00 0.00 61.00 62.58 3ikr s PRO 322 Cb -0.10 -3.35 0.07 0.00 0.04 0.00 0.00 34.50 31.17 3ikr s PRO 322 CO 0.23 0.32 0.87 0.27 0.04 0.00 0.00 177.00 178.72 3ikr n ASN 323 N 2.63 1.90 -3.94 6.66 0.23 -1.25 -5.00 115.26 116.48 3ikr n ASN 323 Ca -0.03 -1.45 -0.26 0.00 -0.53 0.00 0.00 54.58 52.31 3ikr n ASN 323 Cb 0.50 0.14 -0.02 0.00 -2.08 0.00 0.00 39.78 38.32 3ikr n ASN 323 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3ikr n ASP 324 N 0.47 -0.77 -4.69 0.53 2.03 -1.26 -4.82 116.55 108.04 3ikr n ASP 324 Ca 0.07 -1.02 -0.43 0.00 0.52 0.00 0.00 54.79 53.93 3ikr n ASP 324 Cb 0.31 -3.02 -0.01 0.00 -0.72 0.00 0.00 41.12 37.68 3ikr n ASP 324 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3ikr n ASP 325 N -2.94 2.75 0.00 1.67 -0.08 -1.26 -0.48 116.55 116.21 3ikr n ASP 325 Ca -0.29 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.18 3ikr n ASP 325 Cb 0.68 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.67 3ikr n ASP 325 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3ikr n GLY 326 N 1.15 0.45 2.19 0.27 0.00 -1.26 -2.49 105.19 105.49 3ikr n GLY 326 Ca 0.07 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 3ikr n GLY 326 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ikr n GLY 327 N -1.95 0.63 2.62 -0.02 0.00 0.37 -4.94 105.19 101.91 3ikr n GLY 327 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 3ikr n GLY 327 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ikr n SER 328 N 0.72 -1.06 -3.85 1.61 3.41 -1.04 -5.05 113.62 108.37 3ikr n SER 328 Ca -0.08 -2.99 -0.30 0.00 -0.26 0.00 0.00 58.87 55.24 3ikr n SER 328 Cb 0.36 0.80 -0.14 0.00 -0.26 0.00 0.00 64.21 64.96 3ikr n SER 328 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3ikr s GLU 329 N -0.75 1.25 0.00 4.33 2.02 -1.26 -4.18 118.70 120.12 3ikr s GLU 329 Ca 0.26 -1.74 0.09 0.00 0.02 0.00 0.00 54.97 53.60 3ikr s GLU 329 Cb 0.37 -2.63 0.16 0.00 0.10 0.00 0.00 34.13 32.13 3ikr s GLU 329 CO -0.05 -1.03 0.99 -0.25 0.02 0.00 0.00 175.26 174.94 3ikr n ASP 330 N 4.14 2.26 -4.74 -0.19 8.00 -1.23 -4.60 116.55 120.17 3ikr n ASP 330 Ca 0.03 -1.67 -0.25 0.00 0.71 0.00 0.00 54.79 53.61 3ikr n ASP 330 Cb 0.39 -0.09 -0.07 0.00 -0.02 0.00 0.00 41.12 41.33 3ikr n ASP 330 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3ikr s VAL 332 N -2.62 1.20 0.13 0.00 1.01 -1.24 -0.65 120.40 118.23 3ikr s VAL 332 Ca 0.40 -0.60 0.11 0.00 0.00 0.00 0.00 61.98 61.89 3ikr s VAL 332 Cb 0.04 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 3ikr s VAL 332 CO 0.22 0.35 -0.26 -1.83 0.00 0.00 0.00 175.10 173.57 3ikr s GLU 333 N 0.02 1.42 -0.14 2.72 -1.05 -0.14 -0.62 118.70 120.91 3ikr s GLU 333 Ca -0.02 -1.35 -0.00 0.00 -0.15 0.00 0.00 54.97 53.45 3ikr s GLU 333 Cb -0.10 -1.91 -0.01 0.00 -0.44 0.00 0.00 34.13 31.67 3ikr s GLU 333 CO 0.01 0.45 -0.14 -1.50 0.95 0.00 0.00 175.26 175.03 3ikr s ILE 334 N -1.09 2.87 0.83 1.83 2.07 0.47 -1.51 121.20 126.68 3ikr s ILE 334 Ca 0.14 -0.71 -0.11 0.00 -1.41 0.00 0.00 60.65 58.57 3ikr s ILE 334 Cb -0.10 -2.21 0.13 0.00 0.13 0.00 0.00 42.46 40.41 3ikr s ILE 334 CO 0.06 0.52 1.17 -0.36 -1.91 0.00 0.00 174.94 174.42 3ikr s PHE 335 N 0.60 2.19 0.17 3.50 0.08 -0.36 -2.13 117.98 122.03 3ikr s PHE 335 Ca -0.08 0.35 0.34 0.00 0.12 0.00 0.00 56.93 57.66 3ikr s PHE 335 Cb -0.16 -3.61 1.65 0.00 -0.57 0.00 0.00 43.02 40.33 3ikr s PHE 335 CO 0.03 -2.04 2.03 1.79 -0.10 0.00 0.00 175.22 176.94 3ikr h THR 336 N -1.11 0.00 -0.34 0.64 1.35 -1.89 -0.50 112.91 111.06 3ikr h THR 336 Ca -0.44 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3ikr h THR 336 Cb 1.28 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3ikr h THR 336 CO 0.49 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.30 3ikr n ASN 337 N -2.85 2.28 0.00 5.36 6.94 -1.26 -4.71 115.26 121.02 3ikr n ASN 337 Ca -0.01 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.66 3ikr n ASN 337 Cb 0.18 -0.22 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 3ikr n ASN 337 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3ikr n GLY 338 N 1.22 2.72 3.81 4.83 0.00 -0.20 -5.03 105.19 112.56 3ikr n GLY 338 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3ikr n GLY 338 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikr s LYS 339 N -0.17 3.54 0.13 1.61 -0.14 -1.26 -4.67 119.74 118.78 3ikr s LYS 339 Ca 0.00 1.16 0.03 0.00 -1.36 0.00 0.00 55.97 55.80 3ikr s LYS 339 Cb 0.00 -2.07 -0.04 0.00 -1.68 0.00 0.00 37.83 34.05 3ikr s LYS 339 CO 0.00 -0.63 0.20 -1.58 -0.76 0.00 0.00 175.35 172.58 3ikr s TRP 340 N -2.45 3.34 -0.12 3.18 0.52 0.56 -1.22 118.94 122.75 3ikr s TRP 340 Ca 0.63 0.09 -0.08 0.00 0.02 0.00 0.00 56.10 56.75 3ikr s TRP 340 Cb -0.14 -1.62 0.04 0.00 -1.15 0.00 0.00 33.47 30.60 3ikr s TRP 340 CO 0.33 0.53 0.31 1.21 0.02 0.00 0.00 176.95 179.35 3ikr s ASN 341 N -2.97 -0.34 0.21 2.95 2.47 -0.57 -0.47 114.94 116.22 3ikr s ASN 341 Ca 0.33 0.65 -0.30 0.00 0.42 0.00 0.00 52.86 53.95 3ikr s ASN 341 Cb -0.11 0.58 -0.08 0.00 -1.45 0.00 0.00 41.25 40.19 3ikr s ASN 341 CO 0.26 -0.15 1.03 1.51 -3.72 0.00 0.00 177.10 176.03 3ikr s ASP 342 N 0.82 7.42 0.05 -4.21 -4.77 -1.26 -0.97 116.67 113.75 3ikr s ASP 342 Ca -0.05 2.05 -0.05 0.00 -3.30 0.00 0.00 52.55 51.20 3ikr s ASP 342 Cb -0.06 -2.61 -0.02 0.00 -1.09 0.00 0.00 42.92 39.14 3ikr s ASP 342 CO -0.06 -0.06 0.08 -0.60 0.70 0.00 0.00 175.17 175.24 3ikr s ARG 343 N -0.85 0.63 0.27 2.11 6.06 0.17 -4.86 118.95 122.49 3ikr s ARG 343 Ca 0.45 -0.90 -0.31 0.00 -2.50 0.00 0.00 55.73 52.48 3ikr s ARG 343 Cb -0.28 0.24 -0.12 0.00 0.06 0.00 0.00 34.95 34.85 3ikr s ARG 343 CO 0.35 -0.16 1.60 0.00 -2.50 0.00 0.00 175.30 174.59 3ikr n ALA 344 N 0.48 2.44 0.31 6.12 0.00 -1.26 -1.90 120.51 126.70 3ikr n ALA 344 Ca -0.17 0.38 0.19 0.00 0.00 0.00 0.00 53.44 53.84 3ikr n ALA 344 Cb 0.60 -2.45 0.94 0.00 0.00 0.00 0.00 19.45 18.54 3ikr n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikr n GLY 346 N -0.65 -1.57 3.77 0.00 0.00 -1.26 -1.82 105.19 103.66 3ikr n GLY 346 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3ikr n GLY 346 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3ikr s GLU 347 N -3.16 2.49 -0.21 1.61 0.41 -0.95 -4.74 118.70 114.15 3ikr s GLU 347 Ca 0.09 1.23 -0.10 0.00 -0.41 0.00 0.00 54.97 55.78 3ikr s GLU 347 Cb 0.12 -1.92 -0.05 0.00 -1.78 0.00 0.00 34.13 30.50 3ikr s GLU 347 CO 0.53 -1.47 0.14 0.15 -0.49 0.00 0.00 175.26 174.12 3ikr s LYS 348 N -4.63 4.12 0.14 1.61 1.02 -1.26 -3.88 119.74 116.85 3ikr s LYS 348 Ca 0.63 -0.25 0.01 0.00 0.02 0.00 0.00 55.97 56.38 3ikr s LYS 348 Cb -0.18 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.64 3ikr s LYS 348 CO 0.51 0.20 -0.00 1.03 -0.92 0.00 0.00 175.35 176.16 3ikr s ARG 349 N 0.65 0.98 0.27 1.68 1.81 -0.67 -4.77 118.95 118.91 3ikr s ARG 349 Ca 0.07 -1.45 -0.30 0.00 -1.72 0.00 0.00 55.73 52.33 3ikr s ARG 349 Cb -0.12 -0.12 -0.13 0.00 -0.45 0.00 0.00 34.95 34.13 3ikr s ARG 349 CO 0.01 -0.13 1.46 -0.11 -0.68 0.00 0.00 175.30 175.85 3ikr n LEU 350 N -0.15 3.59 -4.59 2.53 7.94 -0.09 -1.50 117.00 124.73 3ikr n LEU 350 Ca -0.08 1.15 -0.41 0.00 -1.11 0.00 0.00 56.01 55.56 3ikr n LEU 350 Cb 0.63 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 43.02 3ikr n LEU 350 CO 0.32 -0.26 0.36 -0.69 -1.11 0.00 0.00 177.39 176.01 3ikr s VAL 351 N -0.15 4.95 -0.08 1.96 1.01 -0.66 -2.74 120.40 124.69 3ikr s VAL 351 Ca 0.65 0.80 -0.00 0.00 0.00 0.00 0.00 61.98 63.43 3ikr s VAL 351 Cb -0.59 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 31.82 3ikr s VAL 351 CO 0.51 -0.15 -0.05 -0.69 0.00 0.00 0.00 175.10 174.72 3ikr s VAL 352 N 2.58 0.73 0.28 2.92 1.01 -1.26 -1.41 120.40 125.25 3ikr s VAL 352 Ca 0.24 -0.14 0.08 0.00 0.00 0.00 0.00 61.98 62.16 3ikr s VAL 352 Cb -0.15 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3ikr s VAL 352 CO 0.12 0.30 0.18 0.00 0.00 0.00 0.00 175.10 175.70 3ikr s GLU 354 N -3.85 1.63 0.00 0.00 -1.05 0.89 -0.96 118.70 115.36 3ikr s GLU 354 Ca 0.35 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 3ikr s GLU 354 Cb -0.07 -1.71 0.00 0.00 -0.44 0.00 0.00 34.13 31.92 3ikr s GLU 354 CO 0.24 0.45 0.20 1.19 0.95 0.00 0.00 175.26 178.29