#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1si3 s GLN 226 N 0.00 4.13 0.26 0.00 0.74 -1.11 -4.81 119.66 118.86 1si3 s GLN 226 Ca 0.00 -0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.04 1si3 s GLN 226 Cb 0.00 -3.53 -0.14 0.00 1.10 0.00 0.00 33.01 30.45 1si3 s GLN 226 CO 0.00 0.05 1.24 -2.30 -0.55 0.00 0.00 175.29 173.72 1si3 n PRO 227 N 4.28 1.70 0.23 1.67 -0.02 -1.26 0.39 135.00 141.99 1si3 n PRO 227 Ca -0.12 0.60 0.09 0.00 -2.02 0.00 0.00 63.50 62.05 1si3 n PRO 227 Cb 0.52 -2.14 0.55 0.00 -0.02 0.00 0.00 33.50 32.41 1si3 n PRO 227 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1si3 h VAL 228 N 2.61 0.78 -0.23 -1.45 -1.51 -0.39 -1.90 116.25 114.16 1si3 h VAL 228 Ca -0.43 -0.90 0.04 0.00 -1.23 0.00 0.00 66.70 64.17 1si3 h VAL 228 Cb 1.31 1.55 -0.04 0.00 -2.13 0.00 0.00 31.29 31.98 1si3 h VAL 228 CO 0.68 0.22 0.00 0.40 -1.23 0.00 0.00 177.57 177.65 1si3 h ILE 229 N 0.00 0.84 -0.84 7.19 1.08 -1.78 -2.17 117.51 121.82 1si3 h ILE 229 Ca -0.00 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1si3 h ILE 229 Cb 0.53 0.75 -0.04 0.00 -3.07 0.00 0.00 36.82 35.00 1si3 h ILE 229 CO 0.03 0.01 0.49 -0.33 -0.69 0.00 0.00 178.15 177.66 1si3 h GLU 230 N 0.08 1.15 -0.33 2.37 5.08 -1.73 -1.08 114.58 120.12 1si3 h GLU 230 Ca 0.11 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1si3 h GLU 230 Cb 0.14 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1si3 h GLU 230 CO -0.18 0.82 0.00 0.34 -1.00 0.00 0.00 179.01 178.99 1si3 n PHE 231 N -4.42 0.00 0.00 4.33 7.35 -0.82 -1.87 117.46 122.03 1si3 n PHE 231 Ca 0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.78 1si3 n PHE 231 Cb 0.07 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.88 1si3 n PHE 231 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1si3 h GLU 234 N 0.00 0.90 -0.18 0.00 5.08 -1.61 0.49 114.58 119.26 1si3 h GLU 234 Ca 0.00 -0.55 -0.03 0.00 -1.00 0.00 0.00 59.36 57.78 1si3 h GLU 234 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1si3 h GLU 234 CO 0.00 1.19 -0.01 0.28 -1.00 0.00 0.00 179.01 179.46 1si3 h VAL 235 N 0.69 1.27 -0.02 3.13 2.07 -1.49 -3.09 116.25 118.82 1si3 h VAL 235 Ca 0.03 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1si3 h VAL 235 Cb 1.11 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1si3 h VAL 235 CO 0.12 0.27 0.00 0.18 0.02 0.00 0.00 177.57 178.16 1si3 n LEU 236 N -4.69 0.80 -3.51 2.57 4.77 -1.22 -4.93 117.00 110.79 1si3 n LEU 236 Ca -0.05 -0.28 -0.18 0.00 -0.03 0.00 0.00 56.01 55.47 1si3 n LEU 236 Cb 0.24 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.39 1si3 n LEU 236 CO 0.37 0.14 0.06 0.47 -1.33 0.00 0.00 177.39 177.09 1si3 n ASP 237 N -0.36 -1.89 -4.67 -1.43 10.43 0.22 -5.01 116.55 113.85 1si3 n ASP 237 Ca 0.21 -0.68 -0.34 0.00 2.57 0.00 0.00 54.79 56.54 1si3 n ASP 237 Cb 0.23 -4.81 -0.09 0.00 1.84 0.00 0.00 41.12 38.29 1si3 n ASP 237 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 1si3 s ILE 238 N -3.45 4.18 -0.01 0.53 1.01 0.15 -5.00 121.20 118.60 1si3 s ILE 238 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1si3 s ILE 238 Cb -0.00 -2.78 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 1si3 s ILE 238 CO 0.75 0.53 -0.01 0.54 0.00 0.00 0.00 174.94 176.75 1si3 n ARG 239 N 1.90 0.03 -0.98 2.79 1.74 -1.26 -4.54 116.66 116.34 1si3 n ARG 239 Ca -0.17 0.01 -0.21 0.00 -0.77 0.00 0.00 57.85 56.71 1si3 n ARG 239 Cb 0.53 -1.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.04 1si3 n ARG 239 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1si3 n ASN 240 N -2.57 6.30 -0.27 0.55 6.94 -1.26 -4.78 115.26 120.17 1si3 n ASN 240 Ca -0.02 -3.23 0.15 0.00 -0.02 0.00 0.00 54.58 51.46 1si3 n ASN 240 Cb 0.53 -0.99 0.29 0.00 -2.36 0.00 0.00 39.78 37.25 1si3 n ASN 240 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1si3 n ILE 241 N -0.09 -0.33 1.59 1.53 3.06 -1.26 0.19 119.36 124.04 1si3 n ILE 241 Ca 0.39 1.70 0.14 0.00 -2.50 0.00 0.00 62.75 62.48 1si3 n ILE 241 Cb 0.70 -2.55 0.62 0.00 0.54 0.00 0.00 39.64 38.95 1si3 n ILE 241 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1si3 n ASP 242 N -5.02 1.00 0.08 9.51 10.43 -1.26 -3.81 116.55 127.47 1si3 n ASP 242 Ca 0.22 -1.23 -0.23 0.00 2.57 0.00 0.00 54.79 56.12 1si3 n ASP 242 Cb 0.72 0.00 -0.15 0.00 1.84 0.00 0.00 41.12 43.53 1si3 n ASP 242 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1si3 h GLU 243 N 1.51 0.40 -4.34 -1.24 4.81 0.16 -3.41 114.58 112.48 1si3 h GLU 243 Ca 0.00 -0.69 -0.72 0.00 -0.13 0.00 0.00 59.36 57.82 1si3 h GLU 243 Cb 0.37 0.26 -0.29 0.00 0.63 0.00 0.00 28.75 29.71 1si3 h GLU 243 CO 0.00 1.33 -0.42 -0.65 -0.73 0.00 0.00 179.01 178.54 1si3 s GLN 244 N -2.53 2.47 0.00 1.92 -0.21 -1.15 -4.94 119.66 115.22 1si3 s GLN 244 Ca -0.13 -1.71 0.00 0.00 0.02 0.00 0.00 55.36 53.53 1si3 s GLN 244 Cb 0.04 -3.88 0.00 0.00 1.00 0.00 0.00 33.01 30.17 1si3 s GLN 244 CO 0.87 -1.14 0.94 -2.30 -2.12 0.00 0.00 175.29 171.54 1si3 n PRO 245 N 4.89 0.96 -3.06 2.91 -0.02 -1.26 -4.87 135.00 134.55 1si3 n PRO 245 Ca -0.08 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.03 1si3 n PRO 245 Cb 0.41 -1.03 -0.06 0.00 -0.02 0.00 0.00 33.50 32.80 1si3 n PRO 245 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1si3 s LYS 246 N 0.02 4.37 0.85 -0.52 1.02 -1.26 -4.94 119.74 119.28 1si3 s LYS 246 Ca 0.00 0.98 -0.11 0.00 0.02 0.00 0.00 55.97 56.86 1si3 s LYS 246 Cb 0.00 -3.03 0.10 0.00 -0.52 0.00 0.00 37.83 34.38 1si3 s LYS 246 CO 0.00 0.47 1.11 -2.14 -0.92 0.00 0.00 175.35 173.86 1si3 s PRO 247 N -1.63 1.60 0.47 -1.68 0.02 -1.26 -4.93 135.00 127.58 1si3 s PRO 247 Ca 0.40 1.23 -0.21 0.00 0.02 0.00 0.00 61.00 62.44 1si3 s PRO 247 Cb -0.19 -1.82 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 1si3 s PRO 247 CO 0.23 -2.13 1.07 -0.51 -0.33 0.00 0.00 177.00 175.33 1si3 s LEU 248 N -6.24 3.92 0.67 -5.54 1.43 -1.26 -5.04 118.68 106.62 1si3 s LEU 248 Ca 0.64 2.03 -0.07 0.00 -1.03 0.00 0.00 54.13 55.69 1si3 s LEU 248 Cb -0.19 -4.44 0.03 0.00 0.03 0.00 0.00 46.19 41.62 1si3 s LEU 248 CO 0.57 -0.79 0.99 0.42 0.23 0.00 0.00 176.35 177.78 1si3 s THR 249 N -1.83 3.02 0.38 5.49 -4.23 -1.26 -4.83 115.64 112.38 1si3 s THR 249 Ca 0.65 -0.02 0.06 0.00 -1.18 0.00 0.00 61.69 61.20 1si3 s THR 249 Cb -0.20 -3.26 0.22 0.00 1.34 0.00 0.00 72.50 70.60 1si3 s THR 249 CO 0.24 -0.29 1.98 0.44 -0.54 0.00 0.00 174.62 176.45 1si3 h ASP 250 N -0.47 0.50 -0.36 3.99 3.32 -1.98 0.18 116.42 121.60 1si3 h ASP 250 Ca -0.45 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.47 1si3 h ASP 250 Cb 1.28 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1si3 h ASP 250 CO 0.61 0.44 -0.10 -1.28 -1.72 0.00 0.00 179.24 177.19 1si3 h SER 251 N 0.56 0.71 -0.38 6.45 0.87 -1.99 -1.33 113.55 118.43 1si3 h SER 251 Ca 0.14 -0.37 -0.10 0.00 -1.23 0.00 0.00 61.79 60.23 1si3 h SER 251 Cb 0.09 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 1si3 h SER 251 CO -0.02 0.92 -0.15 1.56 -0.53 0.00 0.00 176.83 178.62 1si3 h GLN 252 N 0.49 0.78 -0.68 2.24 4.20 -1.61 -2.29 115.11 118.23 1si3 h GLN 252 Ca 0.09 -0.32 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 1si3 h GLN 252 Cb 0.62 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1si3 h GLN 252 CO 0.04 0.94 0.41 -0.09 -0.67 0.00 0.00 178.83 179.46 1si3 h ARG 253 N 0.58 0.92 -0.66 1.46 2.43 -0.63 -1.03 114.38 117.45 1si3 h ARG 253 Ca 0.09 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1si3 h ARG 253 Cb 0.68 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1si3 h ARG 253 CO 0.05 0.65 0.20 0.28 -1.51 0.00 0.00 179.97 179.64 1si3 h VAL 254 N 0.92 1.25 -0.36 0.20 2.07 -1.13 0.01 116.25 119.22 1si3 h VAL 254 Ca 0.24 -0.86 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 1si3 h VAL 254 Cb -0.04 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1si3 h VAL 254 CO -0.05 0.33 -0.34 0.03 0.02 0.00 0.00 177.57 177.56 1si3 h ARG 255 N 0.95 0.82 -0.33 1.57 3.08 -1.21 -2.70 114.38 116.57 1si3 h ARG 255 Ca 0.21 -0.40 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 1si3 h ARG 255 Cb 0.30 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1si3 h ARG 255 CO -0.01 1.03 -0.16 0.35 -1.07 0.00 0.00 179.97 180.11 1si3 h PHE 256 N 0.68 0.79 -0.69 3.04 -0.00 -1.01 -3.20 116.94 116.56 1si3 h PHE 256 Ca 0.07 -0.20 0.02 0.00 -0.00 0.00 0.00 57.97 57.86 1si3 h PHE 256 Cb 0.90 -0.18 -0.04 0.00 -0.00 0.00 0.00 35.95 36.62 1si3 h PHE 256 CO 0.05 0.90 0.45 1.15 -0.00 0.00 0.00 178.31 180.86 1si3 h THR 257 N 0.45 1.14 -0.84 4.41 2.02 -0.93 -0.68 112.91 118.48 1si3 h THR 257 Ca 0.07 -0.31 0.14 0.00 0.77 0.00 0.00 66.41 67.09 1si3 h THR 257 Cb 0.70 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.21 1si3 h THR 257 CO 0.05 0.16 0.55 0.11 0.37 0.00 0.00 175.52 176.76 1si3 h LYS 258 N 0.89 0.58 0.13 6.66 1.57 -1.47 -0.60 116.57 124.33 1si3 h LYS 258 Ca 0.26 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.70 1si3 h LYS 258 Cb -0.05 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1si3 h LYS 258 CO -0.08 0.38 -1.55 0.93 -0.57 0.00 0.00 179.45 178.57 1si3 h GLU 259 N 0.60 0.27 0.01 3.15 4.39 -1.33 -3.38 114.58 118.30 1si3 h GLU 259 Ca 0.42 -0.47 -0.25 0.00 0.34 0.00 0.00 59.36 59.40 1si3 h GLU 259 Cb 0.75 0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.54 1si3 h GLU 259 CO -0.17 1.15 -1.34 0.97 -1.16 0.00 0.00 179.01 178.45 1si3 h ILE 260 N 0.07 1.30 -2.87 3.13 6.09 -0.88 -3.44 117.51 120.92 1si3 h ILE 260 Ca -0.25 -3.07 -0.55 0.00 -1.37 0.00 0.00 64.86 59.62 1si3 h ILE 260 Cb 2.03 2.66 0.08 0.00 0.47 0.00 0.00 36.82 42.05 1si3 h ILE 260 CO 0.17 0.75 0.84 1.17 -3.07 0.00 0.00 178.15 178.01 1si3 n LYS 261 N -3.22 2.50 0.00 2.19 4.81 -0.26 -1.88 118.16 122.30 1si3 n LYS 261 Ca -0.08 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 1si3 n LYS 261 Cb 1.00 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 33.38 1si3 n LYS 261 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1si3 n GLY 262 N 2.75 3.01 3.88 3.14 0.00 -0.59 -4.98 105.19 112.40 1si3 n GLY 262 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 1si3 n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1si3 s LEU 263 N 0.00 3.15 -0.14 0.99 1.43 -0.79 -4.78 118.68 118.55 1si3 s LEU 263 Ca 0.00 1.24 -0.05 0.00 -1.03 0.00 0.00 54.13 54.29 1si3 s LEU 263 Cb 0.00 -4.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.00 1si3 s LEU 263 CO 0.00 -1.01 0.04 -0.75 0.23 0.00 0.00 176.35 174.85 1si3 s LYS 264 N -5.19 3.55 0.14 1.70 2.20 -1.26 -1.55 119.74 119.33 1si3 s LYS 264 Ca 0.55 -0.37 0.08 0.00 -0.36 0.00 0.00 55.97 55.88 1si3 s LYS 264 Cb -0.11 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1si3 s LYS 264 CO 0.52 0.47 -0.20 0.14 -0.36 0.00 0.00 175.35 175.92 1si3 s VAL 265 N -0.20 1.79 -0.08 4.02 -7.23 -0.30 -0.73 120.40 117.67 1si3 s VAL 265 Ca 0.07 -1.76 0.04 0.00 -1.81 0.00 0.00 61.98 58.51 1si3 s VAL 265 Cb -0.12 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 1si3 s VAL 265 CO 0.02 -0.20 -0.22 -1.83 -0.31 0.00 0.00 175.10 172.56 1si3 s GLU 266 N -2.42 2.84 0.48 4.82 -1.05 -0.01 -0.04 118.70 123.33 1si3 s GLU 266 Ca 0.12 -0.84 -0.22 0.00 -0.15 0.00 0.00 54.97 53.88 1si3 s GLU 266 Cb -0.08 -2.30 -0.07 0.00 -0.44 0.00 0.00 34.13 31.24 1si3 s GLU 266 CO 0.06 0.31 1.15 0.08 0.95 0.00 0.00 175.26 177.82 1si3 s VAL 267 N 0.02 3.13 -0.10 1.83 1.01 -0.20 -1.94 120.40 124.15 1si3 s VAL 267 Ca -0.08 0.81 0.15 0.00 0.00 0.00 0.00 61.98 62.86 1si3 s VAL 267 Cb -0.15 -3.39 0.33 0.00 0.00 0.00 0.00 36.38 33.17 1si3 s VAL 267 CO 0.05 -0.05 1.16 0.35 0.00 0.00 0.00 175.10 176.61 1si3 n THR 268 N -0.69 1.13 -1.00 3.92 -2.24 -0.42 -4.46 114.28 110.53 1si3 n THR 268 Ca 0.08 -1.86 0.06 0.00 -2.27 0.00 0.00 64.05 60.06 1si3 n THR 268 Cb 0.49 0.25 0.08 0.00 -2.10 0.00 0.00 70.33 69.05 1si3 n THR 268 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1si3 n HIS 269 N -0.52 0.00 -2.41 4.78 1.44 -1.26 -4.73 115.22 112.52 1si3 n HIS 269 Ca 0.11 -0.66 -0.10 0.00 -2.01 0.00 0.00 57.72 55.06 1si3 n HIS 269 Cb 0.82 -0.10 0.04 0.00 0.12 0.00 0.00 29.99 30.87 1si3 n HIS 269 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1si3 n GLY 271 N -0.62 4.01 3.48 0.00 0.00 -1.26 -4.64 105.19 106.16 1si3 n GLY 271 Ca 0.24 0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.98 1si3 n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1si3 s GLN 272 N 0.00 3.94 0.00 1.61 -1.52 -1.26 -4.98 119.66 117.46 1si3 s GLN 272 Ca 0.00 -2.26 0.00 0.00 -1.95 0.00 0.00 55.36 51.15 1si3 s GLN 272 Cb 0.00 -5.09 0.00 0.00 -0.22 0.00 0.00 33.01 27.70 1si3 s GLN 272 CO 0.00 -1.84 0.00 1.63 -0.25 0.00 0.00 175.29 174.83 1si3 n LYS 274 N 6.30 0.00 -1.86 2.91 5.02 -1.26 -5.21 118.16 124.06 1si3 n LYS 274 Ca 0.35 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.23 1si3 n LYS 274 Cb 0.45 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.45 1si3 n LYS 274 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1si3 s ARG 275 N 0.00 4.15 -0.15 1.97 3.52 -1.26 -4.55 118.95 122.63 1si3 s ARG 275 Ca 0.00 2.51 -0.06 0.00 -0.13 0.00 0.00 55.73 58.05 1si3 s ARG 275 Cb 0.00 -2.99 -0.04 0.00 -1.56 0.00 0.00 34.95 30.36 1si3 s ARG 275 CO 0.00 -0.48 0.07 0.15 -0.81 0.00 0.00 175.30 174.23 1si3 s LYS 276 N -1.93 3.68 0.24 5.12 1.02 -1.26 -1.04 119.74 125.57 1si3 s LYS 276 Ca 0.53 -0.31 0.08 0.00 0.02 0.00 0.00 55.97 56.30 1si3 s LYS 276 Cb -0.45 -3.14 -0.05 0.00 -0.52 0.00 0.00 37.83 33.67 1si3 s LYS 276 CO 0.60 0.46 -0.14 0.71 -0.92 0.00 0.00 175.35 176.07 1si3 s TYR 277 N -0.17 1.89 -0.25 3.18 1.51 0.95 -4.97 117.35 119.49 1si3 s TYR 277 Ca 0.08 -0.54 -0.08 0.00 -1.01 0.00 0.00 57.07 55.52 1si3 s TYR 277 Cb -0.12 -0.90 -0.03 0.00 -0.11 0.00 0.00 41.96 40.80 1si3 s TYR 277 CO 0.01 0.43 0.08 0.50 -1.11 0.00 0.00 175.55 175.46 1si3 s ARG 278 N -3.63 3.68 0.09 -0.62 6.06 -1.26 -1.15 118.95 122.13 1si3 s ARG 278 Ca 0.25 -0.46 -0.31 0.00 -2.50 0.00 0.00 55.73 52.71 1si3 s ARG 278 Cb -0.01 -3.35 -0.07 0.00 0.06 0.00 0.00 34.95 31.58 1si3 s ARG 278 CO 0.10 -0.18 1.35 0.08 -2.50 0.00 0.00 175.30 174.15 1si3 s VAL 279 N 1.61 3.49 -0.23 7.11 1.01 -0.59 -2.44 120.40 130.34 1si3 s VAL 279 Ca 0.06 1.05 0.04 0.00 0.00 0.00 0.00 61.98 63.14 1si3 s VAL 279 Cb -0.15 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1si3 s VAL 279 CO 0.04 0.07 0.22 0.00 0.00 0.00 0.00 175.10 175.43 1si3 n ASN 281 N -0.99 0.00 -4.30 0.00 4.05 -1.14 -4.88 115.26 108.00 1si3 n ASN 281 Ca 0.01 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.73 1si3 n ASN 281 Cb 0.07 0.00 -0.16 0.00 1.23 0.00 0.00 39.78 40.92 1si3 n ASN 281 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1si3 s VAL 282 N -2.00 2.01 0.75 3.44 1.01 -1.26 -0.36 120.40 123.99 1si3 s VAL 282 Ca 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 61.98 60.76 1si3 s VAL 282 Cb 0.00 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.75 1si3 s VAL 282 CO 0.00 0.54 1.08 0.42 0.00 0.00 0.00 175.10 177.14 1si3 s THR 283 N -0.62 3.56 -0.12 3.92 -4.23 -0.02 -4.87 115.64 113.26 1si3 s THR 283 Ca 0.10 0.51 0.07 0.00 -1.18 0.00 0.00 61.69 61.19 1si3 s THR 283 Cb -0.10 -3.15 -0.23 0.00 1.34 0.00 0.00 72.50 70.36 1si3 s THR 283 CO -0.01 -0.66 0.35 0.54 -0.54 0.00 0.00 174.62 174.30 1si3 n ARG 284 N -3.36 0.68 -3.05 3.99 1.74 -1.26 -4.67 116.66 110.73 1si3 n ARG 284 Ca 0.08 0.21 -0.33 0.00 -0.77 0.00 0.00 57.85 57.03 1si3 n ARG 284 Cb 0.54 -1.68 -0.06 0.00 -1.02 0.00 0.00 32.46 30.23 1si3 n ARG 284 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1si3 s ARG 285 N -2.56 4.11 0.69 5.56 0.52 -1.26 -4.95 118.95 121.06 1si3 s ARG 285 Ca -0.14 0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 55.78 1si3 s ARG 285 Cb 0.07 -2.44 0.00 0.00 0.52 0.00 0.00 34.95 33.10 1si3 s ARG 285 CO 0.78 0.15 1.06 -2.14 0.02 0.00 0.00 175.30 175.17 1si3 s PRO 286 N -2.86 3.03 0.42 3.54 0.02 -1.26 -4.27 135.00 133.62 1si3 s PRO 286 Ca 0.54 0.84 0.21 0.00 0.02 0.00 0.00 61.00 62.62 1si3 s PRO 286 Cb -0.11 -2.01 1.18 0.00 0.02 0.00 0.00 34.50 33.58 1si3 s PRO 286 CO 0.17 -1.00 1.79 0.00 -0.33 0.00 0.00 177.00 177.63 1si3 h ALA 287 N -0.64 2.37 0.00 -1.55 0.00 -0.99 0.80 119.26 119.24 1si3 h ALA 287 Ca -0.44 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1si3 h ALA 287 Cb 1.21 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1si3 h ALA 287 CO 0.59 -0.75 0.00 0.66 0.00 0.00 0.00 179.25 179.75 1si3 h SER 288 N 0.33 0.00 0.00 0.00 4.64 -1.34 -2.75 113.55 114.43 1si3 h SER 288 Ca 0.57 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.89 1si3 h SER 288 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1si3 h SER 288 CO -0.23 0.00 -0.77 1.41 -0.87 0.00 0.00 176.83 176.37 1si3 n HIS 289 N -3.01 0.00 -1.61 4.77 8.25 0.23 -4.78 115.22 119.07 1si3 n HIS 289 Ca -0.01 0.00 -0.48 0.00 -0.26 0.00 0.00 57.72 56.97 1si3 n HIS 289 Cb 0.16 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 1si3 n HIS 289 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1si3 n GLN 290 N -1.36 1.50 -4.41 -0.41 -0.06 0.15 -4.84 117.38 107.95 1si3 n GLN 290 Ca 0.00 0.53 -0.21 0.00 -2.00 0.00 0.00 57.00 55.33 1si3 n GLN 290 Cb 0.16 -2.13 -0.10 0.00 -4.06 0.00 0.00 30.24 24.11 1si3 n GLN 290 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 1si3 s THR 291 N 0.06 1.81 0.20 1.69 -1.32 -1.26 -2.11 115.64 114.71 1si3 s THR 291 Ca 0.74 -2.20 -0.13 0.00 -1.21 0.00 0.00 61.69 58.89 1si3 s THR 291 Cb -0.80 -2.29 0.01 0.00 -1.51 0.00 0.00 72.50 67.91 1si3 s THR 291 CO 0.49 -0.42 0.44 0.72 -2.21 0.00 0.00 174.62 173.64 1si3 s PHE 292 N -2.92 0.19 -0.86 9.09 -0.71 -1.00 -5.00 117.98 116.78 1si3 s PHE 292 Ca 0.27 -0.55 -0.25 0.00 -1.04 0.00 0.00 56.93 55.36 1si3 s PHE 292 Cb 0.01 0.19 -0.01 0.00 -1.21 0.00 0.00 43.02 42.00 1si3 s PHE 292 CO 0.11 -0.88 1.72 -2.14 -1.34 0.00 0.00 175.22 172.68 1si3 s PRO 293 N -3.95 2.91 -0.15 1.99 0.02 -1.26 -2.16 135.00 132.40 1si3 s PRO 293 Ca 0.16 -0.33 -0.15 0.00 0.02 0.00 0.00 61.00 60.70 1si3 s PRO 293 Cb 0.00 -4.91 -0.05 0.00 0.02 0.00 0.00 34.50 29.57 1si3 s PRO 293 CO 0.02 -2.80 0.33 -1.17 -0.33 0.00 0.00 177.00 173.05 1si3 s LEU 294 N 8.05 4.24 -0.93 -5.54 2.96 -1.26 -4.95 118.68 121.25 1si3 s LEU 294 Ca 0.59 0.56 -0.19 0.00 -0.22 0.00 0.00 54.13 54.88 1si3 s LEU 294 Cb -0.06 -2.44 0.13 0.00 0.50 0.00 0.00 46.19 44.32 1si3 s LEU 294 CO 0.03 0.07 1.13 0.00 -1.32 0.00 0.00 176.35 176.26 1si3 s GLN 295 N 0.54 3.59 1.52 1.98 -2.07 -1.26 -4.18 119.66 119.78 1si3 s GLN 295 Ca 0.18 -1.74 0.00 0.00 -1.82 0.00 0.00 55.36 51.98 1si3 s GLN 295 Cb -0.13 -4.91 0.00 0.00 -1.09 0.00 0.00 33.01 26.88 1si3 s GLN 295 CO 0.05 -1.78 0.00 1.33 -1.32 0.00 0.00 175.29 173.57 1si3 n VAL 302 N 5.52 0.00 -3.73 3.63 0.24 -1.26 -5.24 118.33 117.48 1si3 n VAL 302 Ca 0.24 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.41 1si3 n VAL 302 Cb 0.49 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 32.74 1si3 n VAL 302 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1si3 s GLU 303 N 0.00 0.28 0.31 7.34 2.02 -1.26 -4.50 118.70 122.90 1si3 s GLU 303 Ca 0.00 0.55 0.10 0.00 0.02 0.00 0.00 54.97 55.64 1si3 s GLU 303 Cb 0.00 -0.02 -0.05 0.00 0.10 0.00 0.00 34.13 34.16 1si3 s GLU 303 CO 0.00 -0.13 -0.08 0.00 0.02 0.00 0.00 175.26 175.07 1si3 s THR 305 N -2.51 5.16 0.54 0.00 -1.32 -1.26 -2.38 115.64 113.87 1si3 s THR 305 Ca 0.32 0.87 0.24 0.00 -1.21 0.00 0.00 61.69 61.91 1si3 s THR 305 Cb -0.02 -3.76 0.36 0.00 -1.51 0.00 0.00 72.50 67.57 1si3 s THR 305 CO 0.17 0.40 2.05 -0.37 -2.21 0.00 0.00 174.62 174.67 1si3 h VAL 306 N 4.44 0.71 0.08 5.08 -1.51 -1.52 -1.72 116.25 121.81 1si3 h VAL 306 Ca -0.44 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.03 1si3 h VAL 306 Cb 1.19 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.16 1si3 h VAL 306 CO 0.72 0.00 -0.04 0.00 -1.23 0.00 0.00 177.57 177.02 1si3 h ALA 307 N 1.79 -0.11 0.08 5.19 0.00 -1.78 -1.79 119.26 122.62 1si3 h ALA 307 Ca 0.16 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1si3 h ALA 307 Cb 0.68 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1si3 h ALA 307 CO -0.00 -0.49 -0.12 1.96 0.00 0.00 0.00 179.25 180.60 1si3 h GLN 308 N -0.26 -0.23 -0.68 0.00 4.20 -1.66 -2.18 115.11 114.30 1si3 h GLN 308 Ca -0.01 0.02 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1si3 h GLN 308 Cb 0.22 0.05 -0.12 0.00 0.30 0.00 0.00 27.48 27.93 1si3 h GLN 308 CO 0.02 -0.15 -0.02 -0.92 -0.67 0.00 0.00 178.83 177.09 1si3 h TYR 309 N -0.24 -0.08 0.00 2.96 3.20 -1.25 0.85 116.97 122.41 1si3 h TYR 309 Ca 0.02 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1si3 h TYR 309 Cb 0.25 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.66 1si3 h TYR 309 CO -0.14 -0.21 0.00 1.19 -1.64 0.00 0.00 178.16 177.36 1si3 n PHE 310 N -5.33 0.68 -0.01 -3.82 3.01 -0.68 0.39 117.46 111.70 1si3 n PHE 310 Ca 0.11 0.24 0.06 0.00 1.01 0.00 0.00 57.45 58.87 1si3 n PHE 310 Cb 0.40 -0.90 -0.14 0.00 -0.01 0.00 0.00 39.48 38.83 1si3 n PHE 310 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1si3 n LYS 311 N -2.10 0.66 -0.05 -1.08 0.00 0.72 0.52 118.16 116.83 1si3 n LYS 311 Ca 0.03 -0.09 -0.21 0.00 0.00 0.00 0.00 58.31 58.04 1si3 n LYS 311 Cb 0.27 -1.57 -0.13 0.00 0.00 0.00 0.00 35.03 33.60 1si3 n LYS 311 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1si3 n GLN 312 N -2.45 0.69 0.10 1.64 6.02 0.26 -2.49 117.38 121.15 1si3 n GLN 312 Ca -0.10 0.29 0.12 0.00 -0.01 0.00 0.00 57.00 57.29 1si3 n GLN 312 Cb 0.71 -1.66 0.01 0.00 1.02 0.00 0.00 30.24 30.33 1si3 n GLN 312 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1si3 h LYS 313 N -0.20 0.00 0.00 -1.09 3.64 -0.26 -3.38 116.57 115.28 1si3 h LYS 313 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1si3 h LYS 313 Cb 1.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.68 1si3 h LYS 313 CO -0.04 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.80 1si3 n TYR 314 N -2.64 0.00 -3.68 1.91 4.01 -1.19 -5.02 117.16 110.55 1si3 n TYR 314 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 1si3 n TYR 314 Cb 0.54 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.61 1si3 n TYR 314 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1si3 n ASN 315 N -0.14 -4.09 -3.86 7.72 2.85 -1.00 -4.91 115.26 111.84 1si3 n ASN 315 Ca 0.00 -0.95 -0.30 0.00 -0.11 0.00 0.00 54.58 53.21 1si3 n ASN 315 Cb 0.09 -3.63 -0.15 0.00 1.24 0.00 0.00 39.78 37.33 1si3 n ASN 315 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1si3 s LEU 316 N -6.47 3.23 -0.31 1.20 2.96 0.19 -4.90 118.68 114.58 1si3 s LEU 316 Ca 0.33 -1.79 -0.29 0.00 -0.22 0.00 0.00 54.13 52.16 1si3 s LEU 316 Cb -0.11 -1.18 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 1si3 s LEU 316 CO 0.84 -0.39 1.47 -1.10 -1.32 0.00 0.00 176.35 175.86 1si3 s GLN 317 N 1.33 3.74 0.33 1.98 -1.52 -1.26 -3.44 119.66 120.81 1si3 s GLN 317 Ca 0.09 1.31 -0.29 0.00 -1.95 0.00 0.00 55.36 54.52 1si3 s GLN 317 Cb -0.18 -3.99 -0.12 0.00 -0.22 0.00 0.00 33.01 28.49 1si3 s GLN 317 CO -0.17 -1.36 1.38 1.28 -0.25 0.00 0.00 175.29 176.17 1si3 n LEU 318 N 8.43 3.81 0.13 2.90 4.77 -1.26 -4.91 117.00 130.87 1si3 n LEU 318 Ca 0.17 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.35 1si3 n LEU 318 Cb 0.47 -1.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.07 1si3 n LEU 318 CO 0.66 -0.29 0.42 0.50 -1.33 0.00 0.00 177.39 177.34 1si3 h LYS 319 N 3.09 0.00 -2.11 3.23 3.64 -2.02 -3.37 116.57 119.03 1si3 h LYS 319 Ca -0.47 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.37 1si3 h LYS 319 Cb 1.27 0.00 -0.41 0.00 -0.41 0.00 0.00 32.23 32.68 1si3 h LYS 319 CO 0.66 0.61 -0.94 0.66 -2.27 0.00 0.00 179.45 178.17 1si3 n TYR 320 N -3.31 1.63 0.29 1.91 4.02 -1.26 -4.91 117.16 115.53 1si3 n TYR 320 Ca 0.01 -3.86 0.18 0.00 -0.01 0.00 0.00 57.90 54.22 1si3 n TYR 320 Cb 0.75 -0.44 0.89 0.00 -0.02 0.00 0.00 39.34 40.52 1si3 n TYR 320 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1si3 h PRO 321 N 3.37 0.00 0.00 -0.72 0.11 -1.98 -2.53 132.00 130.25 1si3 h PRO 321 Ca 0.12 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.09 1si3 h PRO 321 Cb 0.78 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.87 1si3 h PRO 321 CO 0.63 0.00 -0.67 1.12 -0.21 0.00 0.00 178.00 178.87 1si3 h HIS 322 N 0.00 0.00 -4.35 0.65 2.07 -1.92 -0.38 115.15 111.23 1si3 h HIS 322 Ca 0.00 0.00 -0.51 0.00 -2.85 0.00 0.00 60.37 57.01 1si3 h HIS 322 Cb 0.15 0.00 0.08 0.00 2.57 0.00 0.00 27.41 30.22 1si3 h HIS 322 CO 0.00 0.67 0.39 -0.51 -3.07 0.00 0.00 177.93 175.41 1si3 s LEU 323 N -6.63 3.15 1.04 6.12 1.43 -0.96 -4.57 118.68 118.26 1si3 s LEU 323 Ca 0.02 1.53 -0.18 0.00 -1.03 0.00 0.00 54.13 54.48 1si3 s LEU 323 Cb 0.09 -4.47 0.24 0.00 0.03 0.00 0.00 46.19 42.09 1si3 s LEU 323 CO 0.77 -1.25 1.32 -2.84 0.23 0.00 0.00 176.35 174.58 1si3 s PRO 324 N -5.10 -0.01 0.25 1.29 0.02 -1.26 -1.46 135.00 128.73 1si3 s PRO 324 Ca 0.57 -0.48 0.09 0.00 0.02 0.00 0.00 61.00 61.19 1si3 s PRO 324 Cb -0.13 -1.78 -0.04 0.00 0.02 0.00 0.00 34.50 32.57 1si3 s PRO 324 CO 0.55 -2.84 0.05 0.00 -0.33 0.00 0.00 177.00 174.43 1si3 s LEU 326 N -3.65 4.16 -0.01 0.00 1.43 0.97 -0.84 118.68 120.74 1si3 s LEU 326 Ca 0.31 0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 53.53 1si3 s LEU 326 Cb -0.07 -2.30 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1si3 s LEU 326 CO 0.21 0.03 0.64 -1.58 0.23 0.00 0.00 176.35 175.88 1si3 s GLN 327 N 0.99 4.38 0.11 1.70 0.74 0.51 -0.88 119.66 127.21 1si3 s GLN 327 Ca 0.13 0.82 0.04 0.00 0.05 0.00 0.00 55.36 56.40 1si3 s GLN 327 Cb -0.14 -3.37 -0.04 0.00 1.10 0.00 0.00 33.01 30.57 1si3 s GLN 327 CO 0.05 0.30 -0.10 0.14 -0.55 0.00 0.00 175.29 175.13 1si3 s VAL 328 N 0.02 0.97 0.00 1.34 -7.23 -0.44 -0.95 120.40 114.10 1si3 s VAL 328 Ca 0.33 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 1si3 s VAL 328 Cb -0.19 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.24 1si3 s VAL 328 CO 0.18 -0.64 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1si3 n GLY 329 N 0.30 -1.49 3.66 2.32 0.00 -1.02 -4.25 105.19 104.70 1si3 n GLY 329 Ca -0.14 -1.30 -0.47 0.00 0.00 0.00 0.00 46.02 44.11 1si3 n GLY 329 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1si3 n GLN 330 N -0.10 1.99 0.02 1.61 6.02 -1.26 -4.81 117.38 120.84 1si3 n GLN 330 Ca 0.00 0.72 -0.14 0.00 -0.01 0.00 0.00 57.00 57.57 1si3 n GLN 330 Cb 0.00 -2.47 -0.08 0.00 1.02 0.00 0.00 30.24 28.71 1si3 n GLN 330 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1si3 h GLU 331 N 5.89 -0.54 -4.12 -1.09 5.08 -2.00 -2.93 114.58 114.86 1si3 h GLU 331 Ca -0.46 0.04 -0.57 0.00 -1.00 0.00 0.00 59.36 57.37 1si3 h GLU 331 Cb 1.27 0.12 0.04 0.00 0.50 0.00 0.00 28.75 30.68 1si3 h GLU 331 CO 0.87 -0.36 2.44 1.04 -1.00 0.00 0.00 179.01 182.00 1si3 n GLN 332 N -5.45 1.75 0.00 2.33 6.02 -1.26 -2.72 117.38 118.05 1si3 n GLN 332 Ca -0.05 -1.75 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 1si3 n GLN 332 Cb 0.38 -2.78 0.00 0.00 1.02 0.00 0.00 30.24 28.85 1si3 n GLN 332 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1si3 n LYS 333 N 6.07 0.00 -3.74 -1.09 4.81 -1.11 -5.08 118.16 118.02 1si3 n LYS 333 Ca 0.48 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.64 1si3 n LYS 333 Cb 0.32 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.39 1si3 n LYS 333 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1si3 n HIS 334 N 0.00 -1.86 -3.53 5.64 8.25 -1.10 -4.97 115.22 117.65 1si3 n HIS 334 Ca 0.00 0.59 -0.41 0.00 -0.26 0.00 0.00 57.72 57.64 1si3 n HIS 334 Cb 0.00 -3.67 -0.11 0.00 1.12 0.00 0.00 29.99 27.33 1si3 n HIS 334 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1si3 s THR 335 N -3.61 5.14 -0.10 1.59 2.01 -1.26 -4.92 115.64 114.48 1si3 s THR 335 Ca 0.29 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.88 1si3 s THR 335 Cb -0.10 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.67 1si3 s THR 335 CO 0.86 -0.11 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.23 1si3 s TYR 336 N 1.68 2.75 -0.12 4.92 1.51 -1.26 -1.33 117.35 125.51 1si3 s TYR 336 Ca 0.05 -0.47 0.02 0.00 -1.01 0.00 0.00 57.07 55.67 1si3 s TYR 336 Cb -0.18 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.93 1si3 s TYR 336 CO 0.10 -0.06 -0.19 -0.51 -1.11 0.00 0.00 175.55 173.77 1si3 s LEU 337 N -0.08 1.94 0.59 -1.29 1.02 -0.05 -4.90 118.68 115.91 1si3 s LEU 337 Ca -0.02 -0.52 -0.19 0.00 0.02 0.00 0.00 54.13 53.41 1si3 s LEU 337 Cb -0.14 -1.28 -0.03 0.00 0.02 0.00 0.00 46.19 44.76 1si3 s LEU 337 CO 0.04 0.06 1.26 -2.84 0.02 0.00 0.00 176.35 174.88 1si3 s PRO 338 N 0.82 2.95 0.28 1.29 0.02 -1.26 -0.02 135.00 139.09 1si3 s PRO 338 Ca -0.08 1.96 -0.03 0.00 0.02 0.00 0.00 61.00 62.86 1si3 s PRO 338 Cb -0.16 -2.00 0.37 0.00 0.02 0.00 0.00 34.50 32.73 1si3 s PRO 338 CO -0.00 -1.25 1.92 -0.07 -0.33 0.00 0.00 177.00 177.26 1si3 h LEU 339 N 0.99 0.98 -0.82 -5.54 3.38 -1.93 -3.16 115.31 109.22 1si3 h LEU 339 Ca -0.51 -0.06 0.15 0.00 0.09 0.00 0.00 57.88 57.56 1si3 h LEU 339 Cb 1.30 -0.25 -0.15 0.00 0.09 0.00 0.00 40.66 41.66 1si3 h LEU 339 CO 0.55 0.76 -0.27 -0.33 0.09 0.00 0.00 178.44 179.25 1si3 h GLU 340 N 1.13 -0.03 -0.95 1.13 5.08 -1.92 0.25 114.58 119.26 1si3 h GLU 340 Ca 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 1si3 h GLU 340 Cb -0.04 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1si3 h GLU 340 CO -0.05 -0.02 0.00 1.33 -1.00 0.00 0.00 179.01 179.26 1si3 n VAL 341 N -5.51 0.29 -5.01 3.13 0.24 -1.19 -4.87 118.33 105.40 1si3 n VAL 341 Ca 0.10 -0.15 -0.29 0.00 -2.04 0.00 0.00 64.34 61.97 1si3 n VAL 341 Cb 0.41 -0.47 -0.17 0.00 -1.47 0.00 0.00 33.84 32.14 1si3 n VAL 341 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1si3 s ASN 343 N 0.19 3.12 -0.16 0.00 -0.87 -0.82 0.29 114.94 116.70 1si3 s ASN 343 Ca -0.10 -0.47 -0.29 0.00 -1.57 0.00 0.00 52.86 50.42 1si3 s ASN 343 Cb -0.15 -0.36 -0.00 0.00 -0.02 0.00 0.00 41.25 40.72 1si3 s ASN 343 CO 0.05 0.31 1.04 -0.63 -2.57 0.00 0.00 177.10 175.30 1si3 s ILE 344 N -0.65 4.69 0.05 0.60 1.01 0.16 -0.83 121.20 126.23 1si3 s ILE 344 Ca 0.10 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.45 1si3 s ILE 344 Cb -0.10 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.05 1si3 s ILE 344 CO -0.00 -0.08 0.98 -0.69 0.00 0.00 0.00 174.94 175.15 1si3 s VAL 345 N 2.56 4.69 -0.05 2.92 1.01 0.09 -2.76 120.40 128.86 1si3 s VAL 345 Ca 0.47 2.04 -0.21 0.00 0.00 0.00 0.00 61.98 64.28 1si3 s VAL 345 Cb -0.17 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.86 1si3 s VAL 345 CO 0.13 0.22 0.62 0.00 0.00 0.00 0.00 175.10 176.07 1si3 s ALA 346 N 0.61 3.42 0.87 5.51 0.00 -1.26 -4.70 121.76 126.20 1si3 s ALA 346 Ca 0.50 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.39 1si3 s ALA 346 Cb -0.22 -2.82 0.11 0.00 0.00 0.00 0.00 23.12 20.19 1si3 s ALA 346 CO 0.29 0.02 1.11 0.20 0.00 0.00 0.00 175.76 177.37 1si3 s GLY 347 N 0.40 1.66 -0.35 0.00 0.00 -1.26 -5.01 107.32 102.76 1si3 s GLY 347 Ca 0.33 0.30 0.14 0.00 0.00 0.00 0.00 44.72 45.48 1si3 s GLY 347 CO 0.16 0.71 1.02 -1.06 0.00 0.00 0.00 173.10 173.94 1si3 n GLN 348 N -3.91 2.03 0.00 2.90 6.02 -1.26 -5.24 117.38 117.92 1si3 n GLN 348 Ca 0.09 -3.72 0.00 0.00 -0.01 0.00 0.00 57.00 53.36 1si3 n GLN 348 Cb 0.53 -1.64 0.00 0.00 1.02 0.00 0.00 30.24 30.15 1si3 n GLN 348 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59