#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ikr h SER 206 N 0.00 0.87 -0.02 0.00 4.64 -2.06 -1.32 113.55 115.67 3ikr h SER 206 Ca 0.00 -0.09 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 3ikr h SER 206 Cb 0.00 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.86 3ikr h SER 206 CO 0.00 0.73 -0.39 -0.07 -0.87 0.00 0.00 176.83 176.24 3ikr h LEU 207 N 0.97 0.55 -0.45 5.97 3.38 -2.05 -2.36 115.31 121.31 3ikr h LEU 207 Ca 0.24 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3ikr h LEU 207 Cb 0.09 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3ikr h LEU 207 CO -0.03 0.88 0.24 -0.09 0.09 0.00 0.00 178.44 179.53 3ikr h ARG 208 N 0.43 0.47 -0.45 1.13 2.43 -1.72 -0.38 114.38 116.30 3ikr h ARG 208 Ca 0.04 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3ikr h ARG 208 Cb 0.87 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.29 3ikr h ARG 208 CO 0.07 0.31 0.27 0.37 -1.51 0.00 0.00 179.97 179.49 3ikr h GLN 209 N 0.49 0.61 -0.88 0.20 5.75 -1.10 -2.25 115.11 117.92 3ikr h GLN 209 Ca 0.19 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3ikr h GLN 209 Cb 0.07 -0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.45 3ikr h GLN 209 CO -0.11 0.45 0.53 1.96 -2.65 0.00 0.00 178.83 179.00 3ikr h GLN 210 N 0.59 1.20 -0.42 1.69 4.20 -0.88 -1.40 115.11 120.09 3ikr h GLN 210 Ca 0.16 -0.11 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3ikr h GLN 210 Cb -0.00 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.51 3ikr h GLN 210 CO -0.03 0.84 0.03 0.28 -0.67 0.00 0.00 178.83 179.28 3ikr h VAL 211 N 1.22 1.25 -0.23 -0.54 2.07 -0.77 -0.88 116.25 118.38 3ikr h VAL 211 Ca 0.32 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 3ikr h VAL 211 Cb -0.05 1.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3ikr h VAL 211 CO -0.06 0.33 -0.14 -0.33 0.02 0.00 0.00 177.57 177.40 3ikr h GLU 212 N 0.56 0.38 -0.34 1.57 5.08 -1.11 -0.99 114.58 119.73 3ikr h GLU 212 Ca 0.12 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 3ikr h GLU 212 Cb 0.44 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 3ikr h GLU 212 CO 0.02 0.52 -0.26 0.00 -1.00 0.00 0.00 179.01 178.28 3ikr h ALA 213 N 1.51 0.48 -0.68 3.43 0.00 -0.98 -2.92 119.26 120.11 3ikr h ALA 213 Ca 0.07 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3ikr h ALA 213 Cb 0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 3ikr h ALA 213 CO 0.03 0.48 0.20 -0.07 0.00 0.00 0.00 179.25 179.89 3ikr h LEU 214 N 0.54 0.97 -1.04 0.00 3.38 -0.66 -2.24 115.31 116.26 3ikr h LEU 214 Ca 0.06 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3ikr h LEU 214 Cb 0.83 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 3ikr h LEU 214 CO 0.07 0.91 0.65 1.56 0.09 0.00 0.00 178.44 181.72 3ikr h GLN 215 N 1.00 1.28 -0.31 1.13 4.20 -1.10 0.12 115.11 121.43 3ikr h GLN 215 Ca 0.22 -0.08 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 3ikr h GLN 215 Cb 0.30 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3ikr h GLN 215 CO -0.01 0.85 -0.37 0.78 -0.67 0.00 0.00 178.83 179.41 3ikr h GLY 216 N 1.32 0.78 1.44 3.46 0.00 -1.28 -1.08 103.07 107.70 3ikr h GLY 216 Ca 0.37 -0.76 -0.15 0.00 0.00 0.00 0.00 47.33 46.79 3ikr h GLY 216 CO -0.09 0.69 -0.46 1.46 0.00 0.00 0.00 176.54 178.14 3ikr h GLN 217 N 0.59 0.60 -0.34 4.80 4.20 -0.81 -2.31 115.11 121.85 3ikr h GLN 217 Ca 0.06 -0.34 -0.11 0.00 0.06 0.00 0.00 58.65 58.32 3ikr h GLN 217 Cb 0.90 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.69 3ikr h GLN 217 CO 0.08 0.94 -0.23 0.28 -0.67 0.00 0.00 178.83 179.23 3ikr h VAL 218 N 0.48 1.29 -0.98 -0.54 2.07 -0.67 -1.90 116.25 116.01 3ikr h VAL 218 Ca 0.03 -1.38 0.02 0.00 0.82 0.00 0.00 66.70 66.19 3ikr h VAL 218 Cb 0.99 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.13 3ikr h VAL 218 CO 0.09 0.45 0.65 -0.61 0.02 0.00 0.00 177.57 178.17 3ikr h GLN 219 N 0.54 1.26 -0.29 1.57 4.15 -1.11 -0.01 115.11 121.22 3ikr h GLN 219 Ca 0.07 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3ikr h GLN 219 Cb 0.79 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3ikr h GLN 219 CO 0.06 0.83 0.11 1.25 -1.93 0.00 0.00 178.83 179.15 3ikr h HIS 220 N 1.30 0.46 -0.68 3.99 2.76 -1.25 -1.85 115.15 119.88 3ikr h HIS 220 Ca 0.37 -0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 3ikr h HIS 220 Cb -0.10 -0.14 -0.03 0.00 1.55 0.00 0.00 27.41 28.69 3ikr h HIS 220 CO -0.00 0.46 0.35 -0.07 -1.30 0.00 0.00 177.93 177.37 3ikr h LEU 221 N 0.32 0.86 -0.57 0.26 3.38 -0.84 -0.81 115.31 117.91 3ikr h LEU 221 Ca 0.10 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3ikr h LEU 221 Cb 0.21 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3ikr h LEU 221 CO -0.01 0.73 0.30 1.56 0.09 0.00 0.00 178.44 181.12 3ikr h GLN 222 N 0.93 0.80 -0.25 1.13 4.20 -0.85 0.17 115.11 121.24 3ikr h GLN 222 Ca 0.23 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.80 3ikr h GLN 222 Cb 0.08 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3ikr h GLN 222 CO -0.03 0.63 -0.03 0.00 -0.67 0.00 0.00 178.83 178.73 3ikr h ALA 223 N 1.13 0.33 -0.64 3.87 0.00 -1.10 -1.01 119.26 121.85 3ikr h ALA 223 Ca 0.20 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3ikr h ALA 223 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3ikr h ALA 223 CO -0.03 0.10 0.15 0.00 0.00 0.00 0.00 179.25 179.47 3ikr h ALA 224 N 0.79 0.84 -0.56 0.00 0.00 -1.00 -2.78 119.26 116.54 3ikr h ALA 224 Ca 0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3ikr h ALA 224 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3ikr h ALA 224 CO 0.02 0.56 0.12 0.35 0.00 0.00 0.00 179.25 180.30 3ikr h PHE 225 N 0.94 0.96 -0.80 0.00 3.57 -0.59 -1.96 116.94 119.06 3ikr h PHE 225 Ca 0.20 -0.12 0.10 0.00 3.53 0.00 0.00 57.97 61.68 3ikr h PHE 225 Cb 0.37 -0.27 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 3ikr h PHE 225 CO 0.03 0.83 0.44 1.03 -2.23 0.00 0.00 178.31 178.41 3ikr h SER 226 N 0.81 0.60 -0.22 0.41 0.87 -0.99 -0.58 113.55 114.45 3ikr h SER 226 Ca 0.17 0.06 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 3ikr h SER 226 Cb 0.37 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 3ikr h SER 226 CO 0.01 0.33 -0.05 -0.61 -0.53 0.00 0.00 176.83 175.97 3ikr h GLN 227 N 0.72 0.42 0.00 2.24 4.15 -1.23 -3.06 115.11 118.35 3ikr h GLN 227 Ca 0.39 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.63 3ikr h GLN 227 Cb 0.40 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.07 3ikr h GLN 227 CO -0.27 0.66 -0.10 1.88 -1.93 0.00 0.00 178.83 179.07 3ikr h TYR 228 N 0.15 0.00 -0.38 3.99 -1.99 -0.64 -2.43 116.97 115.66 3ikr h TYR 228 Ca 0.05 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.73 3ikr h TYR 228 Cb 0.50 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.22 3ikr h TYR 228 CO 0.05 0.10 0.03 0.87 -0.00 0.00 0.00 178.16 179.20 3ikr h LYS 229 N 0.00 0.66 -0.52 4.88 1.57 -1.02 0.33 116.57 122.46 3ikr h LYS 229 Ca -0.00 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.54 3ikr h LYS 229 Cb 0.36 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3ikr h LYS 229 CO 0.01 0.74 0.18 0.87 -0.57 0.00 0.00 179.45 180.69 3ikr h LYS 230 N 0.49 0.80 -0.38 3.15 1.57 -1.47 -2.42 116.57 118.31 3ikr h LYS 230 Ca 0.11 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3ikr h LYS 230 Cb 0.43 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3ikr h LYS 230 CO 0.01 0.72 0.23 0.28 -0.57 0.00 0.00 179.45 180.13 3ikr h VAL 231 N 0.71 1.13 -0.29 0.50 2.07 -1.25 -2.97 116.25 116.15 3ikr h VAL 231 Ca 0.17 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.43 3ikr h VAL 231 Cb 0.25 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 3ikr h VAL 231 CO -0.01 0.13 0.08 -0.08 0.02 0.00 0.00 177.57 177.71 3ikr h GLU 232 N 0.50 0.20 0.00 1.57 4.57 -0.72 -2.72 114.58 117.98 3ikr h GLU 232 Ca 0.14 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3ikr h GLU 232 Cb 0.00 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3ikr h GLU 232 CO -0.03 0.13 0.00 -0.07 -1.18 0.00 0.00 179.01 177.86 3ikr h LEU 233 N 0.20 0.00 -9.21 1.64 3.38 -1.35 -3.42 115.31 106.55 3ikr h LEU 233 Ca 0.13 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.52 3ikr h LEU 233 Cb 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.79 3ikr h LEU 233 CO -0.15 0.00 0.14 0.12 0.09 0.00 0.00 178.44 178.64 3ikr s PHE 234 N -3.85 3.45 -0.96 1.13 5.36 -1.03 -0.41 117.98 121.66 3ikr s PHE 234 Ca -0.01 1.07 0.10 0.00 -0.96 0.00 0.00 56.93 57.13 3ikr s PHE 234 Cb 0.11 -2.82 0.24 0.00 -0.34 0.00 0.00 43.02 40.20 3ikr s PHE 234 CO 0.47 -0.09 1.14 -0.35 -1.46 0.00 0.00 175.22 174.93 3ikr n PRO 235 N 4.63 2.32 -0.27 10.12 -0.04 -1.26 -4.90 135.00 145.59 3ikr n PRO 235 Ca -0.01 -1.81 0.09 0.00 -0.04 0.00 0.00 63.50 61.74 3ikr n PRO 235 Cb 0.50 -1.24 0.24 0.00 -0.04 0.00 0.00 33.50 32.96 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 0.48 3.46 -4.40 3.54 3.02 -1.07 -5.01 115.26 115.27 3ikr n ASN 236 Ca 0.10 -1.98 -0.20 0.00 -0.03 0.00 0.00 54.58 52.46 3ikr n ASN 236 Cb 0.38 -0.35 -0.10 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.04 1.70 -0.08 7.41 0.00 0.45 -1.36 107.32 114.40 3ikr s GLY 237 Ca 0.37 -1.82 -0.03 0.00 0.00 0.00 0.00 44.72 43.23 3ikr s GLY 237 CO 0.26 -1.82 0.17 1.20 0.00 0.00 0.00 173.10 172.91 3ikr s GLN 238 N -3.69 0.09 -0.20 2.90 -1.52 0.17 -4.75 119.66 112.66 3ikr s GLN 238 Ca 0.27 0.48 -0.08 0.00 -1.95 0.00 0.00 55.36 54.08 3ikr s GLN 238 Cb 0.02 -0.19 -0.04 0.00 -0.22 0.00 0.00 33.01 32.57 3ikr s GLN 238 CO 0.10 -0.22 0.08 0.45 -0.25 0.00 0.00 175.29 175.46 3ikr s SER 239 N 1.63 5.72 -0.14 5.90 0.15 -1.26 -0.65 113.70 125.04 3ikr s SER 239 Ca -0.05 0.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.64 3ikr s SER 239 Cb -0.12 -1.99 0.06 0.00 -1.71 0.00 0.00 66.02 62.26 3ikr s SER 239 CO -0.06 0.14 0.11 0.54 1.20 0.00 0.00 173.24 175.17 3ikr s VAL 240 N 0.57 -0.15 0.00 4.45 0.11 -0.20 -5.03 120.40 120.16 3ikr s VAL 240 Ca 0.04 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 3ikr s VAL 240 Cb -0.13 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.25 3ikr s VAL 240 CO 0.01 -0.13 0.00 0.61 -3.33 0.00 0.00 175.10 172.26 3ikr n GLY 241 N 5.29 2.59 0.89 6.54 0.00 -1.26 -1.59 105.19 117.65 3ikr n GLY 241 Ca -0.06 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 13.41 2.20 -3.87 1.61 -0.58 -1.26 -4.94 120.64 127.21 3ikr n GLU 242 Ca 0.00 -1.77 -0.33 0.00 -0.42 0.00 0.00 57.16 54.64 3ikr n GLU 242 Cb 0.00 -1.47 -0.05 0.00 -0.57 0.00 0.00 31.44 29.35 3ikr n GLU 242 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3ikr s LYS 243 N -1.84 3.47 -0.10 3.49 2.20 -0.62 -5.03 119.74 121.31 3ikr s LYS 243 Ca 0.33 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.67 3ikr s LYS 243 Cb 0.21 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.47 3ikr s LYS 243 CO 0.31 0.65 -0.12 0.42 -0.36 0.00 0.00 175.35 176.24 3ikr s ILE 244 N -1.36 1.29 -0.12 5.43 1.01 -0.66 -1.04 121.20 125.74 3ikr s ILE 244 Ca 0.29 -0.51 -0.07 0.00 0.00 0.00 0.00 60.65 60.36 3ikr s ILE 244 Cb -0.13 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.09 3ikr s ILE 244 CO 0.20 0.40 0.13 -0.36 0.00 0.00 0.00 174.94 175.31 3ikr s PHE 245 N 1.12 3.56 -0.08 3.97 0.08 0.17 -0.37 117.98 126.43 3ikr s PHE 245 Ca -0.05 0.49 -0.04 0.00 0.12 0.00 0.00 56.93 57.45 3ikr s PHE 245 Cb -0.14 -1.94 0.04 0.00 -0.57 0.00 0.00 43.02 40.40 3ikr s PHE 245 CO -0.03 0.69 0.19 0.21 -0.10 0.00 0.00 175.22 176.18 3ikr s LYS 246 N -0.93 0.15 0.05 0.44 2.20 0.10 -0.66 119.74 121.08 3ikr s LYS 246 Ca 0.14 0.41 -0.05 0.00 -0.36 0.00 0.00 55.97 56.12 3ikr s LYS 246 Cb -0.12 -0.12 -0.05 0.00 -1.51 0.00 0.00 37.83 36.03 3ikr s LYS 246 CO 0.04 -0.15 0.28 -0.08 -0.36 0.00 0.00 175.35 175.08 3ikr s THR 247 N 1.06 5.29 -0.68 3.43 -1.32 -0.46 -1.07 115.64 121.88 3ikr s THR 247 Ca -0.08 0.03 0.25 0.00 -1.21 0.00 0.00 61.69 60.69 3ikr s THR 247 Cb -0.10 -3.59 0.25 0.00 -1.51 0.00 0.00 72.50 67.55 3ikr s THR 247 CO -0.06 0.25 1.68 0.00 -2.21 0.00 0.00 174.62 174.28 3ikr h ALA 248 N 3.56 0.92 0.00 11.08 0.00 -1.63 -3.47 119.26 129.72 3ikr h ALA 248 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3ikr h ALA 248 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3ikr h ALA 248 CO 0.69 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.35 3ikr n GLY 249 N 1.29 1.00 3.39 0.00 0.00 -1.26 -5.03 105.19 104.58 3ikr n GLY 249 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.15 1.71 0.08 1.61 -0.12 -1.26 -5.02 117.98 111.82 3ikr s PHE 250 Ca 0.00 -1.17 0.03 0.00 -0.05 0.00 0.00 56.93 55.74 3ikr s PHE 250 Cb 0.00 -1.04 -0.04 0.00 -0.63 0.00 0.00 43.02 41.31 3ikr s PHE 250 CO 0.00 -0.27 0.06 0.14 -0.05 0.00 0.00 175.22 175.10 3ikr s VAL 251 N -3.52 4.41 0.12 -2.49 -7.23 -1.26 -1.49 120.40 108.94 3ikr s VAL 251 Ca 0.35 -0.80 -0.16 0.00 -1.81 0.00 0.00 61.98 59.56 3ikr s VAL 251 Cb 0.07 -3.11 0.03 0.00 0.56 0.00 0.00 36.38 33.93 3ikr s VAL 251 CO 0.15 0.14 0.40 -0.54 -0.31 0.00 0.00 175.10 174.93 3ikr s LYS 252 N -2.33 1.06 0.83 4.82 -0.14 -0.48 -4.82 119.74 118.68 3ikr s LYS 252 Ca 0.28 -0.70 -0.11 0.00 -1.36 0.00 0.00 55.97 54.08 3ikr s LYS 252 Cb -0.12 0.46 0.09 0.00 -1.68 0.00 0.00 37.83 36.58 3ikr s LYS 252 CO 0.21 -0.41 1.09 -2.14 -0.76 0.00 0.00 175.35 173.34 3ikr s PRO 253 N -3.74 1.82 0.15 -1.68 0.02 -1.26 -1.55 135.00 128.76 3ikr s PRO 253 Ca 0.03 0.84 -0.26 0.00 0.02 0.00 0.00 61.00 61.62 3ikr s PRO 253 Cb 0.02 -1.87 -0.00 0.00 0.02 0.00 0.00 34.50 32.66 3ikr s PRO 253 CO -0.12 -1.86 1.59 0.35 -0.33 0.00 0.00 177.00 176.64 3ikr h PHE 254 N -1.27 -1.07 -0.58 6.54 3.57 -1.44 -1.04 116.94 121.66 3ikr h PHE 254 Ca -0.47 0.05 0.07 0.00 3.53 0.00 0.00 57.97 61.16 3ikr h PHE 254 Cb 1.26 0.51 -0.06 0.00 2.79 0.00 0.00 35.95 40.45 3ikr h PHE 254 CO 0.48 -0.43 0.25 1.15 -2.23 0.00 0.00 178.31 177.53 3ikr h THR 255 N -0.37 0.85 -0.47 4.41 2.02 -1.93 0.18 112.91 117.61 3ikr h THR 255 Ca 0.12 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 3ikr h THR 255 Cb 0.58 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 3ikr h THR 255 CO -0.47 0.08 0.17 -0.33 0.37 0.00 0.00 175.52 175.34 3ikr h GLU 256 N 0.46 0.71 -0.28 6.66 3.07 -1.85 -1.85 114.58 121.49 3ikr h GLU 256 Ca 0.28 -0.14 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3ikr h GLU 256 Cb 0.28 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3ikr h GLU 256 CO -0.24 0.66 0.16 0.00 -1.40 0.00 0.00 179.01 178.19 3ikr h ALA 257 N 1.02 0.36 -0.61 3.43 0.00 -0.48 -1.87 119.26 121.10 3ikr h ALA 257 Ca 0.15 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3ikr h ALA 257 Cb 0.23 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3ikr h ALA 257 CO -0.01 -0.13 0.36 0.37 0.00 0.00 0.00 179.25 179.84 3ikr h GLN 258 N 0.35 0.67 -0.66 0.00 4.15 -0.54 -2.45 115.11 116.63 3ikr h GLN 258 Ca 0.10 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 3ikr h GLN 258 Cb 0.03 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 27.55 3ikr h GLN 258 CO -0.02 0.44 0.23 1.25 -1.93 0.00 0.00 178.83 178.80 3ikr h LEU 259 N 0.69 0.94 -0.29 -2.39 5.85 -1.10 -1.66 115.31 117.36 3ikr h LEU 259 Ca 0.25 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3ikr h LEU 259 Cb 0.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3ikr h LEU 259 CO -0.13 0.89 0.08 -0.07 -0.34 0.00 0.00 178.44 178.87 3ikr h LEU 260 N 0.95 0.07 -0.25 2.25 3.38 -0.92 -0.81 115.31 119.98 3ikr h LEU 260 Ca 0.22 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3ikr h LEU 260 Cb 0.26 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3ikr h LEU 260 CO -0.01 0.08 0.07 0.00 0.09 0.00 0.00 178.44 178.67 3ikr h THR 262 N 0.24 1.24 0.00 0.00 1.35 -1.13 0.20 112.91 114.82 3ikr h THR 262 Ca 0.08 -0.75 -0.05 0.00 -0.55 0.00 0.00 66.41 65.14 3ikr h THR 262 Cb 0.25 0.45 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 3ikr h THR 262 CO -0.00 0.30 -0.23 1.56 -0.25 0.00 0.00 175.52 176.90 3ikr h GLN 263 N 0.98 0.00 -0.00 4.72 4.20 -1.12 -1.94 115.11 121.94 3ikr h GLN 263 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 3ikr h GLN 263 Cb 0.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3ikr h GLN 263 CO -0.02 0.23 -0.00 0.00 -0.67 0.00 0.00 178.83 178.36 3ikr n ALA 264 N -2.27 2.66 -0.51 3.87 0.00 -0.85 -4.89 120.51 118.52 3ikr n ALA 264 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.17 3ikr n ALA 264 Cb 0.38 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 0.72 0.00 0.00 0.00 -0.73 -5.04 105.19 101.21 3ikr n GLY 265 Ca 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 5.34 3.66 -0.02 0.00 0.01 -4.98 105.19 106.69 3ikr n GLY 266 Ca 0.00 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 3.06 1.55 0.66 1.61 -2.07 -1.08 -3.54 119.66 119.86 3ikr s GLN 267 Ca 0.00 -0.76 -0.17 0.00 -1.82 0.00 0.00 55.36 52.61 3ikr s GLN 267 Cb 0.00 0.60 -0.00 0.00 -1.09 0.00 0.00 33.01 32.51 3ikr s GLN 267 CO 0.00 -0.70 1.23 1.28 -1.32 0.00 0.00 175.29 175.78 3ikr n LEU 268 N -0.42 5.48 -4.61 2.60 4.77 -1.26 -0.23 117.00 123.33 3ikr n LEU 268 Ca -0.10 0.79 -0.55 0.00 -0.03 0.00 0.00 56.01 56.12 3ikr n LEU 268 Cb 0.62 -1.52 -0.07 0.00 -2.33 0.00 0.00 43.42 40.12 3ikr n LEU 268 CO 0.14 -1.23 0.94 0.00 -1.33 0.00 0.00 177.39 175.91 3ikr n ALA 269 N -2.07 -1.26 -3.36 -1.18 0.00 -0.14 -4.24 120.51 108.26 3ikr n ALA 269 Ca 0.15 0.50 -0.26 0.00 0.00 0.00 0.00 53.44 53.84 3ikr n ALA 269 Cb 0.48 -2.05 -0.09 0.00 0.00 0.00 0.00 19.45 17.80 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 2.99 0.80 -4.68 0.00 7.64 -1.26 -1.15 113.62 117.95 3ikr n SER 270 Ca 0.21 -2.76 -0.42 0.00 1.01 0.00 0.00 58.87 56.91 3ikr n SER 270 Cb 0.15 -0.63 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 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 -1.03 4.14 0.00 1.43 0.04 -1.26 -4.88 135.00 133.44 3ikr s PRO 271 Ca 0.34 2.60 0.11 0.00 0.04 0.00 0.00 61.00 64.09 3ikr s PRO 271 Cb 0.11 -3.71 0.30 0.00 0.04 0.00 0.00 34.50 31.24 3ikr s PRO 271 CO -0.13 -0.87 1.23 0.54 0.04 0.00 0.00 177.00 177.82 3ikr n ARG 272 N 6.06 2.70 -3.64 4.56 1.74 -1.26 -4.76 116.66 122.06 3ikr n ARG 272 Ca 0.18 -2.00 -0.09 0.00 -0.77 0.00 0.00 57.85 55.17 3ikr n ARG 272 Cb 0.39 -1.27 -0.02 0.00 -1.02 0.00 0.00 32.46 30.53 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 -1.00 -0.40 0.32 0.55 1.04 -1.26 -4.54 113.70 108.42 3ikr s SER 273 Ca 0.23 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.37 3ikr s SER 273 Cb 0.12 0.63 0.51 0.00 0.10 0.00 0.00 66.02 67.39 3ikr s SER 273 CO 0.16 -1.11 1.94 0.00 0.98 0.00 0.00 173.24 175.21 3ikr h ALA 274 N 2.00 1.41 -0.38 5.32 0.00 -1.97 -0.57 119.26 125.06 3ikr h ALA 274 Ca -0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 3ikr h ALA 274 Cb 1.27 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3ikr h ALA 274 CO 0.30 0.49 0.16 0.00 0.00 0.00 0.00 179.25 180.20 3ikr h ALA 275 N 1.49 0.49 -0.41 0.00 0.00 -1.99 0.03 119.26 118.87 3ikr h ALA 275 Ca 0.23 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3ikr h ALA 275 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3ikr h ALA 275 CO -0.04 0.09 -0.22 0.93 0.00 0.00 0.00 179.25 180.01 3ikr h GLU 276 N 0.47 0.81 -0.74 0.00 5.08 -1.85 -2.03 114.58 116.32 3ikr h GLU 276 Ca 0.13 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.10 3ikr h GLU 276 Cb 0.17 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3ikr h GLU 276 CO -0.01 0.95 0.22 -0.97 -1.00 0.00 0.00 179.01 178.20 3ikr h ASN 277 N 0.71 1.09 -0.27 1.42 -1.24 -0.82 -1.12 115.58 115.34 3ikr h ASN 277 Ca 0.10 -0.21 -0.09 0.00 0.71 0.00 0.00 56.30 56.80 3ikr h ASN 277 Cb 0.74 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.49 3ikr h ASN 277 CO 0.06 1.02 -0.15 0.00 -1.29 0.00 0.00 177.43 177.06 3ikr h ALA 278 N 1.11 1.02 -0.35 1.57 0.00 -0.80 -0.17 119.26 121.63 3ikr h ALA 278 Ca 0.24 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3ikr h ALA 278 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3ikr h ALA 278 CO -0.01 0.59 -0.02 0.00 0.00 0.00 0.00 179.25 179.82 3ikr h ALA 279 N 1.20 0.48 -0.82 0.00 0.00 -0.97 -2.46 119.26 116.68 3ikr h ALA 279 Ca 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 3ikr h ALA 279 Cb 0.61 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3ikr h ALA 279 CO 0.04 0.26 0.39 1.25 0.00 0.00 0.00 179.25 181.19 3ikr h LEU 280 N 0.44 1.07 -1.53 0.00 5.85 -1.01 -2.15 115.31 117.98 3ikr h LEU 280 Ca 0.10 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3ikr h LEU 280 Cb 0.49 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3ikr h LEU 280 CO 0.02 0.90 0.37 -0.61 -0.34 0.00 0.00 178.44 178.78 3ikr h GLN 281 N 1.17 0.58 -0.92 1.25 4.15 -0.73 -2.09 115.11 118.52 3ikr h GLN 281 Ca 0.28 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3ikr h GLN 281 Cb 0.12 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.63 3ikr h GLN 281 CO -0.04 0.38 0.59 1.96 -1.93 0.00 0.00 178.83 179.80 3ikr h GLN 282 N 0.60 1.22 -0.38 1.69 4.20 -0.93 0.24 115.11 121.75 3ikr h GLN 282 Ca 0.23 -0.09 -0.11 0.00 0.06 0.00 0.00 58.65 58.75 3ikr h GLN 282 Cb 0.16 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3ikr h GLN 282 CO -0.06 0.83 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.68 3ikr h LEU 283 N 1.25 0.82 -0.77 1.46 3.38 -1.42 -0.61 115.31 119.42 3ikr h LEU 283 Ca 0.33 -0.40 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3ikr h LEU 283 Cb -0.11 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 3ikr h LEU 283 CO -0.07 1.04 0.51 0.58 0.09 0.00 0.00 178.44 180.59 3ikr h VAL 284 N 0.59 1.19 -0.29 1.22 2.07 -1.06 -1.06 116.25 118.91 3ikr h VAL 284 Ca 0.09 -0.36 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 3ikr h VAL 284 Cb 0.72 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3ikr h VAL 284 CO 0.05 0.19 -0.02 0.58 0.02 0.00 0.00 177.57 178.39 3ikr h VAL 285 N 1.04 1.27 -0.94 2.57 2.07 -0.85 0.23 116.25 121.63 3ikr h VAL 285 Ca 0.28 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.84 3ikr h VAL 285 Cb -0.11 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3ikr h VAL 285 CO -0.07 0.32 0.62 0.00 0.02 0.00 0.00 177.57 178.46 3ikr h ALA 286 N 0.81 1.40 -0.00 1.67 0.00 -0.70 -2.03 119.26 120.41 3ikr h ALA 286 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3ikr h ALA 286 Cb 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3ikr h ALA 286 CO 0.02 0.51 -0.61 1.63 0.00 0.00 0.00 179.25 180.80 3ikr n LYS 287 N -4.44 0.08 -3.80 0.00 4.76 -0.44 -4.96 118.16 109.36 3ikr n LYS 287 Ca 0.13 -0.05 -0.24 0.00 -2.87 0.00 0.00 58.31 55.27 3ikr n LYS 287 Cb 0.10 -1.50 0.02 0.00 -1.84 0.00 0.00 35.03 31.81 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 -1.41 -1.85 -3.66 4.39 5.15 0.76 -4.98 115.26 113.66 3ikr n ASN 288 Ca 0.06 -0.84 -0.12 0.00 -0.60 0.00 0.00 54.58 53.08 3ikr n ASN 288 Cb 0.34 -3.83 -0.12 0.00 -0.53 0.00 0.00 39.78 35.64 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 -6.23 0.22 0.51 1.20 0.41 -0.95 -5.04 118.70 108.81 3ikr s GLU 289 Ca 0.16 0.85 -0.23 0.00 -0.41 0.00 0.00 54.97 55.35 3ikr s GLU 289 Cb -0.08 0.10 -0.07 0.00 -1.78 0.00 0.00 34.13 32.30 3ikr s GLU 289 CO 0.83 -0.27 1.28 0.00 -0.49 0.00 0.00 175.26 176.61 3ikr n ALA 290 N 5.33 1.33 -2.47 5.21 0.00 -1.26 -4.61 120.51 124.03 3ikr n ALA 290 Ca -0.08 0.16 -0.25 0.00 0.00 0.00 0.00 53.44 53.28 3ikr n ALA 290 Cb 0.50 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.55 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 2.73 0.28 0.00 0.00 -0.98 -0.87 121.76 121.64 3ikr s ALA 291 Ca 0.68 -1.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 3ikr s ALA 291 Cb -0.45 -0.32 -0.09 0.00 0.00 0.00 0.00 23.12 22.27 3ikr s ALA 291 CO 0.52 0.32 0.76 -0.06 0.00 0.00 0.00 175.76 177.30 3ikr s PHE 292 N -2.29 3.52 0.48 0.00 0.08 -1.13 -0.54 117.98 118.10 3ikr s PHE 292 Ca 0.28 1.37 0.08 0.00 0.12 0.00 0.00 56.93 58.78 3ikr s PHE 292 Cb -0.06 -2.62 0.03 0.00 -0.57 0.00 0.00 43.02 39.79 3ikr s PHE 292 CO 0.14 0.20 0.55 -0.51 -0.10 0.00 0.00 175.22 175.50 3ikr s LEU 293 N -2.45 3.30 0.35 -0.37 1.43 -0.00 -4.42 118.68 116.51 3ikr s LEU 293 Ca 0.49 -0.74 0.20 0.00 -1.03 0.00 0.00 54.13 53.05 3ikr s LEU 293 Cb -0.14 -2.01 0.20 0.00 0.03 0.00 0.00 46.19 44.28 3ikr s LEU 293 CO 0.19 -0.93 1.48 0.77 0.23 0.00 0.00 176.35 178.09 3ikr h SER 294 N 0.65 0.00 -3.87 2.29 4.64 -1.31 -3.43 113.55 112.53 3ikr h SER 294 Ca -0.37 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.46 3ikr h SER 294 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3ikr h SER 294 CO 0.49 0.19 0.40 -0.04 -0.87 0.00 0.00 176.83 177.00 3ikr s MET 295 N -3.13 4.51 0.14 4.77 -1.94 -1.26 -4.50 119.30 117.89 3ikr s MET 295 Ca 0.05 1.55 -0.08 0.00 -1.71 0.00 0.00 55.69 55.51 3ikr s MET 295 Cb 0.06 -2.91 -0.01 0.00 2.01 0.00 0.00 34.83 33.98 3ikr s MET 295 CO 0.71 0.16 0.22 0.95 -0.01 0.00 0.00 175.02 177.06 3ikr s THR 296 N -1.43 0.09 -0.27 2.05 -4.23 -0.97 -3.68 115.64 107.22 3ikr s THR 296 Ca 0.49 -1.41 0.08 0.00 -1.18 0.00 0.00 61.69 59.67 3ikr s THR 296 Cb -0.25 -1.73 0.45 0.00 1.34 0.00 0.00 72.50 72.31 3ikr s THR 296 CO 0.31 -0.43 1.20 -0.90 -0.54 0.00 0.00 174.62 174.26 3ikr n ASP 297 N -0.15 4.10 0.01 3.99 5.75 -0.88 -1.38 116.55 127.99 3ikr n ASP 297 Ca -0.09 -3.77 -0.03 0.00 -0.01 0.00 0.00 54.79 50.89 3ikr n ASP 297 Cb 0.63 -0.39 0.20 0.00 -1.03 0.00 0.00 41.12 40.54 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 1.90 0.49 0.33 -1.12 0.02 -1.85 -3.09 113.55 110.22 3ikr h SER 298 Ca 0.27 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3ikr h SER 298 Cb 1.41 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3ikr h SER 298 CO 0.57 0.73 -0.16 0.50 -1.14 0.00 0.00 176.83 177.33 3ikr h LYS 299 N 0.44 -0.43 -4.02 3.45 3.64 -1.89 -3.43 116.57 114.33 3ikr h LYS 299 Ca 0.07 0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 58.90 3ikr h LYS 299 Cb 0.65 0.10 -0.39 0.00 -0.41 0.00 0.00 32.23 32.17 3ikr h LYS 299 CO 0.05 -0.14 -0.78 0.99 -2.27 0.00 0.00 179.45 177.31 3ikr s THR 300 N -3.64 1.14 0.03 1.00 2.01 -1.23 -5.10 115.64 109.85 3ikr s THR 300 Ca -0.11 -1.01 -0.37 0.00 0.31 0.00 0.00 61.69 60.51 3ikr s THR 300 Cb 0.01 -1.53 -0.16 0.00 0.01 0.00 0.00 72.50 70.83 3ikr s THR 300 CO 0.38 -0.18 1.46 1.21 -0.69 0.00 0.00 174.62 176.79 3ikr n GLU 301 N 4.81 1.31 0.00 4.92 4.07 -1.17 -1.02 120.64 133.56 3ikr n GLU 301 Ca -0.10 0.47 0.00 0.00 -0.06 0.00 0.00 57.16 57.47 3ikr n GLU 301 Cb 0.45 -2.15 0.00 0.00 -0.06 0.00 0.00 31.44 29.68 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 2.97 1.63 3.06 8.31 0.00 -1.26 -5.01 105.19 114.89 3ikr n GLY 302 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 3ikr n GLY 302 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ikr s LYS 303 N -0.78 1.91 0.17 1.61 1.02 -0.19 -5.09 119.74 118.40 3ikr s LYS 303 Ca 0.00 -2.04 -0.30 0.00 0.02 0.00 0.00 55.97 53.65 3ikr s LYS 303 Cb 0.00 -3.46 -0.07 0.00 -0.52 0.00 0.00 37.83 33.78 3ikr s LYS 303 CO 0.00 -1.05 0.96 -0.06 -0.92 0.00 0.00 175.35 174.28 3ikr s PHE 304 N 0.72 3.88 0.14 3.18 0.40 -1.26 -4.32 117.98 120.72 3ikr s PHE 304 Ca 0.11 1.84 0.00 0.00 -0.60 0.00 0.00 56.93 58.29 3ikr s PHE 304 Cb -0.22 -3.03 -0.04 0.00 0.51 0.00 0.00 43.02 40.24 3ikr s PHE 304 CO -0.05 0.28 0.03 0.95 0.70 0.00 0.00 175.22 177.13 3ikr s THR 305 N -0.54 0.34 0.73 0.64 -4.23 -0.48 -3.61 115.64 108.50 3ikr s THR 305 Ca 0.44 -1.93 -0.10 0.00 -1.18 0.00 0.00 61.69 58.93 3ikr s THR 305 Cb -0.25 -2.02 0.05 0.00 1.34 0.00 0.00 72.50 71.63 3ikr s THR 305 CO 0.31 -0.53 1.09 -0.31 -0.54 0.00 0.00 174.62 174.64 3ikr s TYR 306 N -3.88 3.07 0.32 3.99 2.02 -0.31 -2.28 117.35 120.27 3ikr s TYR 306 Ca 0.22 0.73 0.23 0.00 -0.37 0.00 0.00 57.07 57.88 3ikr s TYR 306 Cb 0.07 -3.23 1.26 0.00 -0.40 0.00 0.00 41.96 39.66 3ikr s TYR 306 CO 0.01 -1.43 1.67 -1.35 -1.57 0.00 0.00 175.55 172.88 3ikr h PRO 307 N -0.74 0.00 0.00 -1.71 0.11 -1.91 0.16 132.00 127.91 3ikr h PRO 307 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3ikr h PRO 307 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3ikr h PRO 307 CO 0.63 0.00 -0.60 1.79 -0.21 0.00 0.00 178.00 179.61 3ikr h THR 308 N 0.00 0.00 0.00 -1.15 1.35 -1.98 -3.47 112.91 107.66 3ikr h THR 308 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3ikr h THR 308 Cb 0.53 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3ikr h THR 308 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3ikr n GLY 309 N 1.26 0.46 3.77 5.82 0.00 0.56 -5.07 105.19 111.98 3ikr n GLY 309 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.73 4.21 0.64 1.61 2.12 -1.26 -4.71 118.70 120.59 3ikr s GLU 310 Ca 0.00 2.05 -0.14 0.00 0.36 0.00 0.00 54.97 57.24 3ikr s GLU 310 Cb 0.00 -2.90 -0.01 0.00 0.26 0.00 0.00 34.13 31.48 3ikr s GLU 310 CO 0.00 -0.25 1.08 -1.12 -0.54 0.00 0.00 175.26 174.43 3ikr s SER 311 N -0.77 5.42 0.37 -1.70 0.01 -1.26 -1.16 113.70 114.61 3ikr s SER 311 Ca 0.52 1.84 -0.28 0.00 1.31 0.00 0.00 55.95 59.34 3ikr s SER 311 Cb -0.36 -2.53 -0.11 0.00 0.21 0.00 0.00 66.02 63.23 3ikr s SER 311 CO 0.47 -1.42 1.48 -0.76 0.41 0.00 0.00 173.24 173.42 3ikr s LEU 312 N -4.89 4.33 0.00 2.44 1.43 -1.24 -4.82 118.68 115.93 3ikr s LEU 312 Ca 0.63 3.02 0.16 0.00 -1.03 0.00 0.00 54.13 56.92 3ikr s LEU 312 Cb -0.17 -3.66 -0.01 0.00 0.03 0.00 0.00 46.19 42.37 3ikr s LEU 312 CO 0.43 -0.85 0.86 1.33 0.23 0.00 0.00 176.35 178.35 3ikr n VAL 313 N 0.59 0.00 -3.54 -1.59 0.24 -1.26 -4.97 118.33 107.80 3ikr n VAL 313 Ca 0.01 -0.32 -0.17 0.00 -2.04 0.00 0.00 64.34 61.82 3ikr n VAL 313 Cb 0.39 1.19 -0.06 0.00 -1.47 0.00 0.00 33.84 33.89 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 -1.94 -0.67 0.06 6.34 5.04 -1.26 -4.93 117.35 119.98 3ikr s TYR 314 Ca 0.13 1.25 -0.21 0.00 -2.44 0.00 0.00 57.07 55.80 3ikr s TYR 314 Cb 0.13 0.38 0.05 0.00 0.35 0.00 0.00 41.96 42.87 3ikr s TYR 314 CO 0.42 -0.57 0.49 -1.54 -1.34 0.00 0.00 175.55 173.01 3ikr s SER 315 N -0.94 -0.39 -0.34 4.32 1.04 -1.26 -4.93 113.70 111.19 3ikr s SER 315 Ca -0.09 0.08 0.16 0.00 0.48 0.00 0.00 55.95 56.57 3ikr s SER 315 Cb -0.01 0.48 0.42 0.00 0.10 0.00 0.00 66.02 67.01 3ikr s SER 315 CO 0.09 -0.73 0.90 -3.20 0.98 0.00 0.00 173.24 171.27 3ikr n ASN 316 N 0.33 1.09 -4.78 7.02 5.15 -1.26 -5.07 115.26 117.74 3ikr n ASN 316 Ca -0.18 -2.81 -0.41 0.00 -0.60 0.00 0.00 54.58 50.58 3ikr n ASN 316 Cb 0.61 -0.47 -0.01 0.00 -0.53 0.00 0.00 39.78 39.38 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 -2.75 2.73 0.68 1.20 0.52 -1.26 -0.61 118.94 119.45 3ikr s TRP 317 Ca 0.31 1.23 -0.14 0.00 0.02 0.00 0.00 56.10 57.53 3ikr s TRP 317 Cb 0.42 -3.92 0.01 0.00 -1.15 0.00 0.00 33.47 28.83 3ikr s TRP 317 CO -0.00 -2.66 1.10 0.00 0.02 0.00 0.00 176.95 175.41 3ikr s ALA 318 N -1.09 2.45 0.19 0.98 0.00 -0.22 -4.72 121.76 119.35 3ikr s ALA 318 Ca 0.52 0.44 -0.33 0.00 0.00 0.00 0.00 51.96 52.59 3ikr s ALA 318 Cb -0.44 -3.29 -0.15 0.00 0.00 0.00 0.00 23.12 19.24 3ikr s ALA 318 CO 0.60 -1.35 1.34 -2.30 0.00 0.00 0.00 175.76 174.04 3ikr n PRO 319 N -2.69 1.65 0.00 0.00 -0.02 -1.26 -1.56 135.00 131.12 3ikr n PRO 319 Ca 0.10 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3ikr n PRO 319 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.30 2.27 3.93 -1.23 0.00 -1.26 -5.03 105.19 106.17 3ikr n GLY 320 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.26 3.46 0.34 1.61 0.41 -0.60 -3.98 118.70 119.68 3ikr s GLU 321 Ca 0.00 -0.46 -0.26 0.00 -0.41 0.00 0.00 54.97 53.84 3ikr s GLU 321 Cb 0.00 -2.97 -0.10 0.00 -1.78 0.00 0.00 34.13 29.28 3ikr s GLU 321 CO 0.00 0.54 0.98 -1.25 -0.49 0.00 0.00 175.26 175.05 3ikr s PRO 322 N -2.89 4.47 0.00 0.39 0.04 -1.26 -4.69 135.00 131.07 3ikr s PRO 322 Ca 0.36 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3ikr s PRO 322 Cb -0.12 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.68 3ikr s PRO 322 CO 0.28 0.16 0.66 0.27 0.04 0.00 0.00 177.00 178.41 3ikr n ASN 323 N 0.41 1.33 -4.14 6.66 6.94 -1.26 -5.02 115.26 120.19 3ikr n ASN 323 Ca 0.03 -1.31 -0.32 0.00 -0.02 0.00 0.00 54.58 52.95 3ikr n ASN 323 Cb 0.50 -0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.86 3ikr n ASN 323 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 3ikr n ASP 324 N -0.13 -0.60 -4.65 0.53 2.03 -1.26 -4.78 116.55 107.68 3ikr n ASP 324 Ca 0.00 -1.20 -0.46 0.00 0.52 0.00 0.00 54.79 53.66 3ikr n ASP 324 Cb 0.08 -2.10 -0.03 0.00 -0.72 0.00 0.00 41.12 38.35 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 -2.78 2.53 0.00 1.67 2.03 -1.26 -0.12 116.55 118.61 3ikr n ASP 325 Ca -0.27 1.13 0.00 0.00 0.52 0.00 0.00 54.79 56.17 3ikr n ASP 325 Cb 0.67 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 3ikr n ASP 325 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ikr n GLY 326 N 2.29 0.25 2.31 0.27 0.00 -1.26 -2.25 105.19 106.79 3ikr n GLY 326 Ca 0.13 0.00 -0.14 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 -0.97 0.22 2.75 -0.02 0.00 0.83 -4.91 105.19 103.09 3ikr n GLY 327 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.65 0.30 -3.98 1.61 3.41 -0.96 -5.04 113.62 108.31 3ikr n SER 328 Ca -0.16 -2.22 -0.31 0.00 -0.26 0.00 0.00 58.87 55.92 3ikr n SER 328 Cb 0.59 0.01 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 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 -2.14 1.51 0.00 4.33 2.02 -1.26 -4.20 118.70 118.96 3ikr s GLU 329 Ca 0.21 -1.63 0.05 0.00 0.02 0.00 0.00 54.97 53.62 3ikr s GLU 329 Cb 0.39 -2.96 0.05 0.00 0.10 0.00 0.00 34.13 31.71 3ikr s GLU 329 CO -0.06 -0.86 0.72 -0.25 0.02 0.00 0.00 175.26 174.82 3ikr n ASP 330 N 4.38 1.56 -4.80 -0.19 8.00 -1.23 -4.59 116.55 119.68 3ikr n ASP 330 Ca -0.01 -1.31 -0.23 0.00 0.71 0.00 0.00 54.79 53.95 3ikr n ASP 330 Cb 0.42 -0.01 -0.06 0.00 -0.02 0.00 0.00 41.12 41.45 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 -2.56 1.30 0.13 0.00 1.01 -1.24 -0.33 120.40 118.71 3ikr s VAL 332 Ca 0.43 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.87 3ikr s VAL 332 Cb 0.01 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 3ikr s VAL 332 CO 0.24 0.38 -0.23 -1.83 0.00 0.00 0.00 175.10 173.66 3ikr s GLU 333 N 0.09 1.56 -0.14 2.72 -1.05 -0.16 -0.82 118.70 120.90 3ikr s GLU 333 Ca -0.04 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 3ikr s GLU 333 Cb -0.11 -1.99 -0.01 0.00 -0.44 0.00 0.00 34.13 31.58 3ikr s GLU 333 CO 0.02 0.46 -0.14 -1.50 0.95 0.00 0.00 175.26 175.05 3ikr s ILE 334 N -1.11 2.91 0.80 1.83 2.07 0.30 -1.53 121.20 126.48 3ikr s ILE 334 Ca 0.16 -0.70 -0.10 0.00 -1.41 0.00 0.00 60.65 58.60 3ikr s ILE 334 Cb -0.10 -2.23 0.10 0.00 0.13 0.00 0.00 42.46 40.37 3ikr s ILE 334 CO 0.08 0.52 1.13 -0.36 -1.91 0.00 0.00 174.94 174.40 3ikr s PHE 335 N 0.52 2.51 -0.00 3.50 0.08 -0.09 -2.33 117.98 122.17 3ikr s PHE 335 Ca -0.09 0.45 0.30 0.00 0.12 0.00 0.00 56.93 57.71 3ikr s PHE 335 Cb -0.16 -3.48 1.46 0.00 -0.57 0.00 0.00 43.02 40.27 3ikr s PHE 335 CO 0.04 -1.83 1.92 1.79 -0.10 0.00 0.00 175.22 177.04 3ikr h THR 336 N -0.97 0.00 -0.32 0.64 1.35 -1.89 -0.07 112.91 111.65 3ikr h THR 336 Ca -0.44 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3ikr h THR 336 Cb 1.30 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 3ikr h THR 336 CO 0.55 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.36 3ikr n ASN 337 N -2.64 2.29 0.00 5.36 6.94 -1.26 -4.74 115.26 121.21 3ikr n ASN 337 Ca -0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 54.58 52.68 3ikr n ASN 337 Cb 0.16 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 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 1.23 2.17 3.85 4.83 0.00 -0.04 -5.03 105.19 112.21 3ikr n GLY 338 Ca 0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.11 3.85 0.11 1.61 -0.14 -1.26 -4.72 119.74 119.08 3ikr s LYS 339 Ca 0.00 0.83 0.03 0.00 -1.36 0.00 0.00 55.97 55.47 3ikr s LYS 339 Cb 0.00 -2.17 -0.04 0.00 -1.68 0.00 0.00 37.83 33.94 3ikr s LYS 339 CO 0.00 -0.29 0.11 -1.58 -0.76 0.00 0.00 175.35 172.83 3ikr s TRP 340 N -2.70 3.21 -0.13 3.18 0.52 0.22 -0.91 118.94 122.33 3ikr s TRP 340 Ca 0.57 0.06 -0.09 0.00 0.02 0.00 0.00 56.10 56.66 3ikr s TRP 340 Cb -0.10 -1.60 0.04 0.00 -1.15 0.00 0.00 33.47 30.66 3ikr s TRP 340 CO 0.36 0.52 0.32 1.21 0.02 0.00 0.00 176.95 179.38 3ikr s ASN 341 N -2.65 -0.35 0.29 2.95 2.47 -0.58 -1.06 114.94 116.00 3ikr s ASN 341 Ca 0.30 0.66 -0.29 0.00 0.42 0.00 0.00 52.86 53.96 3ikr s ASN 341 Cb -0.12 0.60 -0.09 0.00 -1.45 0.00 0.00 41.25 40.19 3ikr s ASN 341 CO 0.23 -0.15 1.02 1.51 -3.72 0.00 0.00 177.10 175.99 3ikr s ASP 342 N 0.82 7.34 0.08 -4.21 -4.77 -1.26 -0.99 116.67 113.68 3ikr s ASP 342 Ca -0.05 2.08 -0.08 0.00 -3.30 0.00 0.00 52.55 51.20 3ikr s ASP 342 Cb -0.06 -2.61 -0.00 0.00 -1.09 0.00 0.00 42.92 39.15 3ikr s ASP 342 CO -0.06 -0.07 0.17 -0.60 0.70 0.00 0.00 175.17 175.31 3ikr s ARG 343 N -1.55 0.79 0.25 2.11 6.06 0.56 -4.87 118.95 122.29 3ikr s ARG 343 Ca 0.46 -0.91 -0.31 0.00 -2.50 0.00 0.00 55.73 52.46 3ikr s ARG 343 Cb -0.27 0.32 -0.12 0.00 0.06 0.00 0.00 34.95 34.94 3ikr s ARG 343 CO 0.34 -0.24 1.63 0.00 -2.50 0.00 0.00 175.30 174.53 3ikr n ALA 344 N 0.11 2.49 0.31 6.12 0.00 -1.26 -1.94 120.51 126.34 3ikr n ALA 344 Ca -0.16 0.39 0.20 0.00 0.00 0.00 0.00 53.44 53.87 3ikr n ALA 344 Cb 0.62 -2.47 0.95 0.00 0.00 0.00 0.00 19.45 18.55 3ikr n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ikr h GLY 346 N 0.96 0.00 -1.53 0.00 0.00 -1.94 -1.80 103.07 98.75 3ikr h GLY 346 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 3ikr h GLY 346 CO 0.00 0.00 0.35 -0.54 0.00 0.00 0.00 176.54 176.35 3ikr s GLU 347 N -3.28 2.52 -0.23 4.80 0.41 -0.92 -4.74 118.70 117.26 3ikr s GLU 347 Ca 0.06 1.31 -0.11 0.00 -0.41 0.00 0.00 54.97 55.83 3ikr s GLU 347 Cb 0.10 -1.92 -0.05 0.00 -1.78 0.00 0.00 34.13 30.48 3ikr s GLU 347 CO 0.52 -1.46 0.17 0.15 -0.49 0.00 0.00 175.26 174.16 3ikr s LYS 348 N -4.43 4.10 0.16 1.61 1.02 -1.26 -3.91 119.74 117.03 3ikr s LYS 348 Ca 0.65 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 56.42 3ikr s LYS 348 Cb -0.19 -3.52 -0.05 0.00 -0.52 0.00 0.00 37.83 33.55 3ikr s LYS 348 CO 0.48 0.10 -0.02 1.03 -0.92 0.00 0.00 175.35 176.02 3ikr s ARG 349 N 0.94 1.08 0.24 1.68 1.81 -0.60 -4.75 118.95 119.35 3ikr s ARG 349 Ca 0.08 -1.50 -0.31 0.00 -1.72 0.00 0.00 55.73 52.27 3ikr s ARG 349 Cb -0.13 -0.32 -0.13 0.00 -0.45 0.00 0.00 34.95 33.92 3ikr s ARG 349 CO 0.03 -0.09 1.49 -0.11 -0.68 0.00 0.00 175.30 175.94 3ikr n LEU 350 N -0.22 3.42 -4.60 2.53 7.94 -0.05 -1.38 117.00 124.64 3ikr n LEU 350 Ca -0.08 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.54 3ikr n LEU 350 Cb 0.63 -1.47 -0.06 0.00 0.53 0.00 0.00 43.42 43.04 3ikr n LEU 350 CO 0.33 -0.29 0.40 -0.69 -1.11 0.00 0.00 177.39 176.02 3ikr s VAL 351 N 0.14 4.93 -0.08 1.96 1.01 -0.56 -2.85 120.40 124.95 3ikr s VAL 351 Ca 0.69 0.90 -0.00 0.00 0.00 0.00 0.00 61.98 63.56 3ikr s VAL 351 Cb -0.61 -4.00 0.02 0.00 0.00 0.00 0.00 36.38 31.79 3ikr s VAL 351 CO 0.47 -0.13 -0.04 -0.69 0.00 0.00 0.00 175.10 174.71 3ikr s VAL 352 N 2.62 0.67 0.27 2.92 1.01 -1.26 -1.56 120.40 125.07 3ikr s VAL 352 Ca 0.26 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.22 3ikr s VAL 352 Cb -0.15 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.45 3ikr s VAL 352 CO 0.11 0.30 0.16 0.00 0.00 0.00 0.00 175.10 175.68 3ikr s GLU 354 N -3.83 1.72 0.00 0.00 -1.05 0.68 -0.72 118.70 115.50 3ikr s GLU 354 Ca 0.34 -1.03 0.00 0.00 -0.15 0.00 0.00 54.97 54.13 3ikr s GLU 354 Cb -0.07 -1.84 0.00 0.00 -0.44 0.00 0.00 34.13 31.78 3ikr s GLU 354 CO 0.24 0.48 0.19 1.19 0.95 0.00 0.00 175.26 178.31