#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u12 h ASP 222 N 0.00 0.00 -0.10 1.61 3.45 -2.04 -3.14 116.42 116.19 1u12 h ASP 222 Ca 0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 1u12 h ASP 222 Cb 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1u12 h ASP 222 CO 0.00 0.81 -0.01 0.15 -1.57 0.00 0.00 179.24 178.62 1u12 h PHE 223 N 0.00 0.22 -0.14 4.55 3.57 -2.02 -0.80 116.94 122.32 1u12 h PHE 223 Ca -0.01 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.34 1u12 h PHE 223 Cb 1.58 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.26 1u12 h PHE 223 CO 0.00 0.48 -0.33 -0.39 -2.23 0.00 0.00 178.31 175.84 1u12 h VAL 224 N -0.11 1.37 0.16 1.41 -1.51 -1.99 0.15 116.25 115.72 1u12 h VAL 224 Ca 0.03 -1.61 0.01 0.00 -1.23 0.00 0.00 66.70 63.90 1u12 h VAL 224 Cb 0.40 2.04 -0.04 0.00 -2.13 0.00 0.00 31.29 31.56 1u12 h VAL 224 CO 0.01 0.48 -0.47 -0.09 -1.23 0.00 0.00 177.57 176.27 1u12 h ARG 225 N 0.08 -0.71 -0.95 5.19 2.43 -1.62 0.97 114.38 119.77 1u12 h ARG 225 Ca -0.00 0.05 0.18 0.00 -0.81 0.00 0.00 59.98 59.39 1u12 h ARG 225 Cb 0.94 0.16 -0.08 0.00 -0.42 0.00 0.00 29.97 30.56 1u12 h ARG 225 CO 0.07 -0.47 0.60 -0.91 -1.51 0.00 0.00 179.97 177.75 1u12 h ASN 226 N -0.73 0.66 0.31 -3.80 -0.26 -1.08 0.46 115.58 111.13 1u12 h ASN 226 Ca 0.00 0.06 -0.00 0.00 -0.56 0.00 0.00 56.30 55.80 1u12 h ASN 226 Cb 0.74 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.92 1u12 h ASN 226 CO -0.24 0.28 -0.25 -0.25 -1.06 0.00 0.00 177.43 175.91 1u12 h TRP 227 N 0.67 -0.67 -0.25 1.19 2.91 0.32 -1.38 115.95 118.75 1u12 h TRP 227 Ca 0.51 0.00 -0.04 0.00 1.13 0.00 0.00 58.89 60.49 1u12 h TRP 227 Cb 0.90 0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 29.79 1u12 h TRP 227 CO -0.00 -0.38 -0.00 1.96 -1.03 0.00 0.00 178.44 178.99 1u12 h GLN 228 N -0.57 0.37 -0.28 2.65 4.20 0.10 0.22 115.11 121.80 1u12 h GLN 228 Ca -0.02 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 58.51 1u12 h GLN 228 Cb 0.50 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.22 1u12 h GLN 228 CO -0.02 0.40 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.21 1u12 h LEU 229 N 0.36 0.72 -0.72 1.46 3.38 -0.84 -2.85 115.31 116.81 1u12 h LEU 229 Ca 0.08 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.47 1u12 h LEU 229 Cb 0.25 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1u12 h LEU 229 CO 0.01 1.04 -0.28 0.58 0.09 0.00 0.00 178.44 179.87 1u12 h VAL 230 N 0.41 1.28 0.00 1.22 2.07 -0.70 -3.03 116.25 117.50 1u12 h VAL 230 Ca 0.05 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1u12 h VAL 230 Cb 0.83 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1u12 h VAL 230 CO 0.07 0.45 0.00 0.00 0.02 0.00 0.00 177.57 178.11 1u12 h ALA 231 N 1.11 1.00 0.00 1.67 0.00 -0.50 -2.60 119.26 119.94 1u12 h ALA 231 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1u12 h ALA 231 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1u12 h ALA 231 CO 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 1u12 n ALA 232 N -2.02 2.40 -1.78 0.00 0.00 -1.09 -4.86 120.51 113.17 1u12 n ALA 232 Ca -0.00 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 1u12 n ALA 232 Cb 0.20 -1.44 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 1u12 n ALA 232 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u12 s VAL 233 N -3.03 3.60 -0.04 0.00 1.01 -0.98 -4.93 120.40 116.04 1u12 s VAL 233 Ca 0.13 1.24 -0.25 0.00 0.00 0.00 0.00 61.98 63.10 1u12 s VAL 233 Cb 0.17 -3.64 -0.21 0.00 0.00 0.00 0.00 36.38 32.70 1u12 s VAL 233 CO 0.56 0.02 1.13 -0.65 0.00 0.00 0.00 175.10 176.15 1u12 h PRO 234 N 2.48 0.14 -1.07 2.72 0.11 -1.90 -2.93 132.00 131.54 1u12 h PRO 234 Ca -0.48 -0.11 0.31 0.00 0.11 0.00 0.00 66.00 65.83 1u12 h PRO 234 Cb 1.22 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.31 1u12 h PRO 234 CO 0.62 0.77 0.80 1.25 -0.21 0.00 0.00 178.00 181.23 1u12 h LEU 235 N -0.46 0.00 -1.34 2.35 5.85 -1.91 0.61 115.31 120.40 1u12 h LEU 235 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1u12 h LEU 235 Cb 0.80 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1u12 h LEU 235 CO 0.03 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 178.62 1u12 n PHE 236 N -4.13 0.14 -0.26 1.25 0.99 -1.11 -4.62 117.46 109.73 1u12 n PHE 236 Ca 0.23 -0.07 -0.08 0.00 -0.00 0.00 0.00 57.45 57.53 1u12 n PHE 236 Cb 1.16 0.00 -0.04 0.00 -1.00 0.00 0.00 39.48 39.60 1u12 n PHE 236 CO 0.00 0.00 0.00 -0.56 -0.00 0.00 0.00 176.76 176.20 1u12 h GLN 237 N 2.96 -0.17 -0.13 -1.08 3.07 0.17 -2.18 115.11 117.75 1u12 h GLN 237 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1u12 h GLN 237 Cb 0.64 0.04 0.00 0.00 0.08 0.00 0.00 27.48 28.24 1u12 h GLN 237 CO 0.00 -0.11 0.00 1.63 0.09 0.00 0.00 178.83 180.44 1u12 n LYS 238 N -5.39 1.34 -2.99 0.06 5.02 -1.26 -4.89 118.16 110.04 1u12 n LYS 238 Ca 0.02 -0.52 -0.35 0.00 -2.02 0.00 0.00 58.31 55.44 1u12 n LYS 238 Cb 0.34 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 1u12 n LYS 238 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1u12 s LEU 239 N -1.19 4.21 0.88 -0.35 1.43 -0.82 -5.07 118.68 117.76 1u12 s LEU 239 Ca 0.17 1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 54.65 1u12 s LEU 239 Cb 0.08 -3.96 0.14 0.00 0.03 0.00 0.00 46.19 42.48 1u12 s LEU 239 CO 0.12 -0.11 1.25 -0.83 0.23 0.00 0.00 176.35 177.00 1u12 s GLY 240 N -1.89 1.68 0.11 -3.19 0.00 -1.26 -4.90 107.32 97.88 1u12 s GLY 240 Ca 0.51 -0.90 -0.19 0.00 0.00 0.00 0.00 44.72 44.13 1u12 s GLY 240 CO 0.19 -0.28 1.73 -2.55 0.00 0.00 0.00 173.10 172.19 1u12 h PRO 241 N -1.34 0.30 -1.05 2.90 0.11 -2.00 -2.62 132.00 128.31 1u12 h PRO 241 Ca -0.45 -0.03 0.29 0.00 0.11 0.00 0.00 66.00 65.91 1u12 h PRO 241 Cb 1.29 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.27 1u12 h PRO 241 CO 0.53 0.26 0.72 0.00 -0.21 0.00 0.00 178.00 179.30 1u12 h ALA 242 N 1.02 2.69 0.12 -0.75 0.00 -2.00 0.76 119.26 121.11 1u12 h ALA 242 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 1u12 h ALA 242 Cb 0.04 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1u12 h ALA 242 CO -0.01 -1.03 -1.33 0.28 0.00 0.00 0.00 179.25 177.16 1u12 h VAL 243 N 0.16 1.40 -0.23 0.00 2.07 -1.85 -3.16 116.25 114.64 1u12 h VAL 243 Ca 0.53 -2.99 -0.09 0.00 0.82 0.00 0.00 66.70 64.98 1u12 h VAL 243 Cb 1.79 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 34.44 1u12 h VAL 243 CO -0.12 0.87 -0.23 -0.07 0.02 0.00 0.00 177.57 178.04 1u12 h LEU 244 N 0.07 0.42 -1.43 2.57 3.38 -0.59 -1.41 115.31 118.32 1u12 h LEU 244 Ca -0.16 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1u12 h LEU 244 Cb 1.98 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 1u12 h LEU 244 CO 0.19 0.66 0.05 0.58 0.09 0.00 0.00 178.44 180.02 1u12 h VAL 245 N 0.38 1.15 -0.11 1.22 2.07 -1.24 -0.66 116.25 119.06 1u12 h VAL 245 Ca 0.06 -0.55 -0.08 0.00 0.82 0.00 0.00 66.70 66.95 1u12 h VAL 245 Cb 0.62 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1u12 h VAL 245 CO 0.04 0.20 -0.24 -0.33 0.02 0.00 0.00 177.57 177.26 1u12 h GLU 246 N 0.43 0.36 -0.93 1.57 4.39 -1.29 -2.16 114.58 116.94 1u12 h GLU 246 Ca 0.10 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1u12 h GLU 246 Cb 0.20 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 1u12 h GLU 246 CO -0.00 0.84 0.58 0.82 -1.16 0.00 0.00 179.01 180.08 1u12 h ILE 247 N -0.08 1.25 0.34 3.13 2.04 -0.97 -2.25 117.51 120.97 1u12 h ILE 247 Ca 0.00 -0.53 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1u12 h ILE 247 Cb 0.83 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1u12 h ILE 247 CO 0.05 0.26 -0.16 0.58 0.00 0.00 0.00 178.15 178.88 1u12 h VAL 248 N 1.28 0.68 -0.71 1.67 2.07 -1.10 -2.74 116.25 117.40 1u12 h VAL 248 Ca 0.34 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.63 1u12 h VAL 248 Cb -0.08 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1u12 h VAL 248 CO -0.07 0.06 0.47 0.03 0.02 0.00 0.00 177.57 178.09 1u12 h ARG 249 N -0.63 0.60 0.00 1.57 3.08 -1.32 -0.40 114.38 117.28 1u12 h ARG 249 Ca -0.05 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1u12 h ARG 249 Cb 0.45 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1u12 h ARG 249 CO 0.08 0.40 0.00 0.00 -1.07 0.00 0.00 179.97 179.37 1u12 n ALA 250 N -2.47 1.72 -2.08 0.04 0.00 -0.85 -4.80 120.51 112.06 1u12 n ALA 250 Ca 0.12 -0.05 -0.42 0.00 0.00 0.00 0.00 53.44 53.08 1u12 n ALA 250 Cb 0.33 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 1u12 n ALA 250 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u12 s LEU 251 N -3.02 4.37 -0.22 0.00 1.43 -0.16 -4.71 118.68 116.36 1u12 s LEU 251 Ca 0.07 2.42 -0.05 0.00 -1.03 0.00 0.00 54.13 55.55 1u12 s LEU 251 Cb 0.10 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 1u12 s LEU 251 CO 0.29 -0.69 0.01 -0.13 0.23 0.00 0.00 176.35 176.06 1u12 s ARG 252 N 0.95 3.56 0.35 1.70 0.52 0.06 -4.88 118.95 121.20 1u12 s ARG 252 Ca 0.65 -0.54 -0.27 0.00 -0.52 0.00 0.00 55.73 55.06 1u12 s ARG 252 Cb -0.39 -3.14 -0.09 0.00 0.52 0.00 0.00 34.95 31.85 1u12 s ARG 252 CO 0.32 -0.12 1.12 0.00 0.02 0.00 0.00 175.30 176.64 1u12 s ALA 253 N 1.35 3.26 -0.07 2.13 0.00 -1.26 -0.76 121.76 126.41 1u12 s ALA 253 Ca 0.04 0.90 -0.16 0.00 0.00 0.00 0.00 51.96 52.74 1u12 s ALA 253 Cb -0.15 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.67 1u12 s ALA 253 CO 0.01 -0.32 0.38 1.03 0.00 0.00 0.00 175.76 176.86 1u12 s ARG 254 N -1.97 0.64 -0.08 0.00 1.81 -0.63 -4.94 118.95 113.78 1u12 s ARG 254 Ca 0.52 0.12 0.03 0.00 -1.72 0.00 0.00 55.73 54.67 1u12 s ARG 254 Cb -0.30 0.30 0.01 0.00 -0.45 0.00 0.00 34.95 34.51 1u12 s ARG 254 CO 0.38 -0.15 -0.16 0.99 -0.68 0.00 0.00 175.30 175.67 1u12 s THR 255 N -0.78 1.45 -0.13 0.02 2.01 -1.26 0.28 115.64 117.23 1u12 s THR 255 Ca -0.09 -0.66 0.02 0.00 0.31 0.00 0.00 61.69 61.27 1u12 s THR 255 Cb -0.04 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.17 1u12 s THR 255 CO 0.04 0.42 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.52 1u12 s VAL 256 N 0.56 2.56 0.48 3.82 1.01 0.08 -4.95 120.40 123.96 1u12 s VAL 256 Ca -0.16 -0.83 -0.24 0.00 0.00 0.00 0.00 61.98 60.75 1u12 s VAL 256 Cb -0.17 -2.04 -0.07 0.00 0.00 0.00 0.00 36.38 34.10 1u12 s VAL 256 CO 0.05 0.54 1.35 -2.84 0.00 0.00 0.00 175.10 174.20 1u12 s PRO 257 N 0.47 3.54 0.07 2.72 0.02 -1.26 0.07 135.00 140.63 1u12 s PRO 257 Ca -0.12 2.24 -0.35 0.00 0.02 0.00 0.00 61.00 62.78 1u12 s PRO 257 Cb -0.17 -2.50 -0.15 0.00 0.02 0.00 0.00 34.50 31.71 1u12 s PRO 257 CO 0.05 -0.87 1.55 0.00 -0.33 0.00 0.00 177.00 177.40 1u12 n ALA 258 N -0.47 0.39 0.00 -1.55 0.00 -1.26 -1.39 120.51 116.23 1u12 n ALA 258 Ca 0.07 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1u12 n ALA 258 Cb 0.44 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1u12 n ALA 258 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u12 n GLY 259 N 3.31 3.40 3.77 0.00 0.00 0.49 -4.89 105.19 111.26 1u12 n GLY 259 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1u12 n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u12 s ALA 260 N -2.76 3.12 -0.03 4.61 0.00 -0.48 -4.69 121.76 121.53 1u12 s ALA 260 Ca 0.00 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1u12 s ALA 260 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1u12 s ALA 260 CO 0.00 -0.59 1.00 0.08 0.00 0.00 0.00 175.76 176.24 1u12 s VAL 261 N -1.42 4.82 -0.18 0.00 1.01 -1.26 -2.07 120.40 121.30 1u12 s VAL 261 Ca 0.58 2.04 -0.19 0.00 0.00 0.00 0.00 61.98 64.42 1u12 s VAL 261 Cb -0.31 -4.31 -0.16 0.00 0.00 0.00 0.00 36.38 31.60 1u12 s VAL 261 CO 0.39 0.11 0.21 0.40 0.00 0.00 0.00 175.10 176.21 1u12 h ILE 262 N 4.89 0.81 -3.01 2.22 2.04 -0.71 -3.48 117.51 120.27 1u12 h ILE 262 Ca -0.38 -1.89 -0.15 0.00 1.00 0.00 0.00 64.86 63.45 1u12 h ILE 262 Cb 1.20 1.81 -0.24 0.00 -0.74 0.00 0.00 36.82 38.84 1u12 h ILE 262 CO 0.79 0.28 -0.35 0.00 0.00 0.00 0.00 178.15 178.86 1u12 s ARG 264 N -0.02 3.42 0.32 0.00 0.52 -1.26 0.18 118.95 122.11 1u12 s ARG 264 Ca -0.02 -0.20 -0.28 0.00 -0.52 0.00 0.00 55.73 54.72 1u12 s ARG 264 Cb -0.03 -3.13 -0.13 0.00 0.52 0.00 0.00 34.95 32.18 1u12 s ARG 264 CO 0.01 0.72 1.13 1.51 0.02 0.00 0.00 175.30 178.68 1u12 n ILE 265 N 2.16 2.02 0.00 1.52 3.06 -1.24 -2.57 119.36 124.31 1u12 n ILE 265 Ca -0.19 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.56 1u12 n ILE 265 Cb 0.54 -1.24 0.00 0.00 0.54 0.00 0.00 39.64 39.48 1u12 n ILE 265 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1u12 n GLY 266 N 1.03 2.94 3.83 4.50 0.00 -0.37 -4.92 105.19 112.20 1u12 n GLY 266 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1u12 n GLY 266 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1u12 s GLU 267 N -0.06 3.96 0.35 1.61 -1.05 -1.06 -4.59 118.70 117.84 1u12 s GLU 267 Ca 0.00 1.06 -0.28 0.00 -0.15 0.00 0.00 54.97 55.59 1u12 s GLU 267 Cb 0.00 -2.13 -0.11 0.00 -0.44 0.00 0.00 34.13 31.45 1u12 s GLU 267 CO 0.00 -0.27 1.42 -2.14 0.95 0.00 0.00 175.26 175.22 1u12 s PRO 268 N -3.76 4.22 -0.13 -4.83 0.02 -1.26 0.09 135.00 129.35 1u12 s PRO 268 Ca 0.61 2.42 -0.05 0.00 0.02 0.00 0.00 61.00 64.00 1u12 s PRO 268 Cb -0.11 -3.02 -0.04 0.00 0.02 0.00 0.00 34.50 31.36 1u12 s PRO 268 CO 0.26 -0.39 0.03 0.20 -0.33 0.00 0.00 177.00 176.77 1u12 s GLY 269 N -0.23 1.89 -0.07 0.52 0.00 -1.26 -4.75 107.32 103.42 1u12 s GLY 269 Ca 0.52 -0.77 0.10 0.00 0.00 0.00 0.00 44.72 44.57 1u12 s GLY 269 CO 0.57 -0.27 1.04 2.09 0.00 0.00 0.00 173.10 176.53 1u12 n ASP 270 N 2.78 1.52 -3.52 1.64 5.75 -1.26 -4.79 116.55 118.67 1u12 n ASP 270 Ca -0.18 -2.48 -0.11 0.00 -0.01 0.00 0.00 54.79 52.02 1u12 n ASP 270 Cb 0.53 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 40.32 1u12 n ASP 270 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1u12 s ARG 271 N -1.63 0.83 0.34 0.11 1.70 -1.26 0.95 118.95 119.98 1u12 s ARG 271 Ca 0.16 -0.11 0.08 0.00 -0.47 0.00 0.00 55.73 55.40 1u12 s ARG 271 Cb 0.14 0.38 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 1u12 s ARG 271 CO 0.02 -0.32 0.10 0.00 -1.08 0.00 0.00 175.30 174.02 1u12 s MET 272 N -2.33 2.30 0.22 3.89 0.23 -0.50 -4.77 119.30 118.33 1u12 s MET 272 Ca 0.01 -1.59 0.08 0.00 -1.03 0.00 0.00 55.69 53.15 1u12 s MET 272 Cb -0.01 -2.11 -0.05 0.00 -1.53 0.00 0.00 34.83 31.13 1u12 s MET 272 CO -0.04 0.13 -0.13 -0.06 -2.03 0.00 0.00 175.02 172.89 1u12 s PHE 273 N -2.44 1.76 -0.05 3.16 0.40 0.20 -1.58 117.98 119.42 1u12 s PHE 273 Ca 0.37 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 56.12 1u12 s PHE 273 Cb -0.02 -0.85 0.02 0.00 0.51 0.00 0.00 43.02 42.69 1u12 s PHE 273 CO 0.22 0.35 -0.05 -0.06 0.70 0.00 0.00 175.22 176.38 1u12 s PHE 274 N -2.97 0.85 -0.17 0.36 0.40 0.47 -1.82 117.98 115.09 1u12 s PHE 274 Ca 0.24 -0.26 -0.25 0.00 -0.60 0.00 0.00 56.93 56.05 1u12 s PHE 274 Cb -0.00 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.77 1u12 s PHE 274 CO 0.08 -0.23 0.83 0.08 0.70 0.00 0.00 175.22 176.68 1u12 s VAL 275 N 1.03 4.89 -0.25 -0.44 1.01 0.10 -0.62 120.40 126.12 1u12 s VAL 275 Ca -0.09 1.62 0.01 0.00 0.00 0.00 0.00 61.98 63.52 1u12 s VAL 275 Cb -0.14 -4.13 -0.18 0.00 0.00 0.00 0.00 36.38 31.93 1u12 s VAL 275 CO -0.00 0.03 -0.17 0.52 0.00 0.00 0.00 175.10 175.48 1u12 n VAL 276 N 4.72 1.52 -3.63 2.92 0.31 0.33 -0.62 118.33 123.88 1u12 n VAL 276 Ca 0.04 -0.58 -0.13 0.00 -0.01 0.00 0.00 64.34 63.66 1u12 n VAL 276 Cb 0.49 -1.45 -0.07 0.00 -0.91 0.00 0.00 33.84 31.90 1u12 n VAL 276 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1u12 s GLU 277 N -2.52 0.81 0.26 5.55 2.12 -0.93 -4.71 118.70 119.27 1u12 s GLU 277 Ca -0.34 0.96 0.00 0.00 0.36 0.00 0.00 54.97 55.96 1u12 s GLU 277 Cb 0.09 0.39 0.00 0.00 0.26 0.00 0.00 34.13 34.87 1u12 s GLU 277 CO 0.62 -0.10 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 1u12 n GLY 278 N 2.66 -1.78 3.09 -1.50 0.00 -1.26 -0.17 105.19 106.22 1u12 n GLY 278 Ca -0.14 -1.91 -0.17 0.00 0.00 0.00 0.00 46.02 43.80 1u12 n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u12 s SER 279 N -4.00 1.22 0.25 1.61 0.01 -1.26 -3.44 113.70 108.08 1u12 s SER 279 Ca 0.00 -0.43 0.10 0.00 1.31 0.00 0.00 55.95 56.93 1u12 s SER 279 Cb 0.00 -0.05 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1u12 s SER 279 CO 0.00 -0.04 -0.04 0.68 0.41 0.00 0.00 173.24 174.25 1u12 s VAL 280 N -0.90 3.31 -0.23 3.43 -7.23 -0.41 0.45 120.40 118.82 1u12 s VAL 280 Ca -0.02 -1.90 0.02 0.00 -1.81 0.00 0.00 61.98 58.27 1u12 s VAL 280 Cb -0.08 -2.74 0.05 0.00 0.56 0.00 0.00 36.38 34.17 1u12 s VAL 280 CO 0.01 -0.32 -0.13 -0.55 -0.31 0.00 0.00 175.10 173.79 1u12 s SER 281 N -3.48 4.00 -0.33 4.85 0.15 0.69 -2.08 113.70 117.50 1u12 s SER 281 Ca 0.30 -1.15 -0.20 0.00 0.70 0.00 0.00 55.95 55.60 1u12 s SER 281 Cb -0.07 -1.51 -0.01 0.00 -1.71 0.00 0.00 66.02 62.73 1u12 s SER 281 CO 0.18 -0.13 0.59 -0.69 1.20 0.00 0.00 173.24 174.39 1u12 s VAL 282 N 1.18 4.95 -1.50 4.45 1.01 -0.60 -1.01 120.40 128.88 1u12 s VAL 282 Ca -0.05 0.66 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 1u12 s VAL 282 Cb -0.18 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.21 1u12 s VAL 282 CO -0.07 -0.19 2.48 0.00 0.00 0.00 0.00 175.10 177.32 1u12 n ALA 283 N 5.86 6.35 -1.82 5.51 0.00 0.17 -2.17 120.51 134.41 1u12 n ALA 283 Ca -0.02 -3.80 -0.16 0.00 0.00 0.00 0.00 53.44 49.46 1u12 n ALA 283 Cb 0.49 -3.40 0.14 0.00 0.00 0.00 0.00 19.45 16.68 1u12 n ALA 283 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u12 n THR 284 N 4.23 0.00 -0.15 0.00 -2.24 -1.26 -4.27 114.28 110.59 1u12 n THR 284 Ca 0.61 -0.79 0.08 0.00 -2.27 0.00 0.00 64.05 61.68 1u12 n THR 284 Cb 0.32 -1.54 0.41 0.00 -2.10 0.00 0.00 70.33 67.42 1u12 n THR 284 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1u12 h PRO 285 N 0.00 0.61 -4.97 -0.78 0.11 -1.98 -3.32 132.00 121.68 1u12 h PRO 285 Ca -0.30 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.10 1u12 h PRO 285 Cb 0.88 -0.14 -0.31 0.00 0.11 0.00 0.00 31.00 31.54 1u12 h PRO 285 CO 0.23 0.40 -0.76 -0.80 -0.21 0.00 0.00 178.00 176.87 1u12 s ASN 286 N -6.22 4.10 0.18 -2.05 0.02 -1.26 -5.09 114.94 104.62 1u12 s ASN 286 Ca -0.09 -0.64 -0.31 0.00 -1.02 0.00 0.00 52.86 50.80 1u12 s ASN 286 Cb 0.19 -1.66 -0.10 0.00 0.02 0.00 0.00 41.25 39.70 1u12 s ASN 286 CO 0.76 -0.06 1.51 -2.84 0.02 0.00 0.00 177.10 176.49 1u12 s PRO 287 N 1.38 4.24 0.12 -0.60 0.02 -1.25 -4.93 135.00 133.99 1u12 s PRO 287 Ca 0.03 2.31 0.11 0.00 0.02 0.00 0.00 61.00 63.47 1u12 s PRO 287 Cb -0.15 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.18 1u12 s PRO 287 CO -0.06 -0.54 -0.26 0.14 -0.33 0.00 0.00 177.00 175.96 1u12 s VAL 288 N 0.84 2.33 -0.26 3.83 -7.23 -0.92 -4.96 120.40 114.02 1u12 s VAL 288 Ca 0.66 -1.69 -0.07 0.00 -1.81 0.00 0.00 61.98 59.07 1u12 s VAL 288 Cb -0.42 -2.02 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 1u12 s VAL 288 CO 0.34 0.12 0.08 -0.70 -0.31 0.00 0.00 175.10 174.63 1u12 s GLU 289 N -1.98 3.54 -0.11 4.82 2.12 -1.26 -1.56 118.70 124.27 1u12 s GLU 289 Ca 0.14 -0.56 -0.04 0.00 0.36 0.00 0.00 54.97 54.88 1u12 s GLU 289 Cb -0.10 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 1u12 s GLU 289 CO 0.06 -0.25 0.05 -0.51 -0.54 0.00 0.00 175.26 174.08 1u12 s LEU 290 N 1.60 3.87 0.00 2.70 1.43 -0.88 -4.97 118.68 122.42 1u12 s LEU 290 Ca 0.06 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1u12 s LEU 290 Cb -0.16 -1.91 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1u12 s LEU 290 CO 0.04 0.37 0.00 0.61 0.23 0.00 0.00 176.35 177.60 1u12 n GLY 291 N 2.22 4.25 3.56 -3.19 0.00 -1.26 -1.28 105.19 109.49 1u12 n GLY 291 Ca -0.19 -2.17 -0.57 0.00 0.00 0.00 0.00 46.02 43.08 1u12 n GLY 291 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u12 n PRO 292 N 0.00 0.44 0.00 1.61 -0.04 -1.22 -1.07 135.00 134.72 1u12 n PRO 292 Ca 0.00 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 1u12 n PRO 292 Cb 0.00 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1u12 n PRO 292 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1u12 n GLY 293 N 2.19 2.99 3.81 0.55 0.00 0.21 -4.99 105.19 109.96 1u12 n GLY 293 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 1u12 n GLY 293 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u12 s ALA 294 N -2.77 2.73 0.03 4.61 0.00 -0.23 -4.78 121.76 121.34 1u12 s ALA 294 Ca 0.00 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.09 1u12 s ALA 294 Cb 0.00 -3.19 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 1u12 s ALA 294 CO 0.00 -1.00 0.14 -0.59 0.00 0.00 0.00 175.76 174.31 1u12 s PHE 295 N -2.79 0.10 0.19 0.00 -0.12 -1.26 0.02 117.98 114.12 1u12 s PHE 295 Ca 0.60 -0.30 -0.21 0.00 -0.05 0.00 0.00 56.93 56.98 1u12 s PHE 295 Cb -0.15 -0.07 0.05 0.00 -0.63 0.00 0.00 43.02 42.22 1u12 s PHE 295 CO 0.47 -0.36 0.60 -0.59 -0.05 0.00 0.00 175.22 175.28 1u12 s PHE 296 N -2.14 -0.35 0.00 3.49 -0.12 -0.76 -4.93 117.98 113.17 1u12 s PHE 296 Ca -0.09 0.05 0.00 0.00 -0.05 0.00 0.00 56.93 56.85 1u12 s PHE 296 Cb -0.04 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.89 1u12 s PHE 296 CO -0.02 -0.94 0.00 0.41 -0.05 0.00 0.00 175.22 174.62 1u12 n GLY 297 N -0.38 0.60 0.43 1.99 0.00 -1.26 -0.63 105.19 105.94 1u12 n GLY 297 Ca -0.13 -0.40 0.24 0.00 0.00 0.00 0.00 46.02 45.73 1u12 n GLY 297 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1u12 h GLU 298 N 0.92 0.23 0.00 1.61 3.07 -1.91 -0.13 114.58 118.36 1u12 h GLU 298 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1u12 h GLU 298 Cb 0.00 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.86 1u12 h GLU 298 CO 0.00 0.15 0.00 0.52 -1.40 0.00 0.00 179.01 178.28 1u12 h MET 299 N 0.24 0.00 0.00 2.33 2.86 -1.93 -2.14 114.93 116.29 1u12 h MET 299 Ca 0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 1u12 h MET 299 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 1u12 h MET 299 CO -0.12 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.85 1u12 h ALA 300 N 2.08 1.00 0.00 6.32 0.00 -1.21 0.17 119.26 127.61 1u12 h ALA 300 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.52 1u12 h ALA 300 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1u12 h ALA 300 CO 0.00 0.00 -2.45 1.28 0.00 0.00 0.00 179.25 178.08 1u12 n LEU 301 N -2.38 2.56 0.10 0.00 4.77 -0.81 -4.61 117.00 116.63 1u12 n LEU 301 Ca 0.01 -0.11 -0.23 0.00 -0.03 0.00 0.00 56.01 55.64 1u12 n LEU 301 Cb 0.17 -0.72 -0.15 0.00 -2.33 0.00 0.00 43.42 40.38 1u12 n LEU 301 CO 0.17 0.87 -0.30 0.16 -1.33 0.00 0.00 177.39 176.97 1u12 h ILE 302 N 0.00 1.20 -1.16 -0.08 3.07 -1.51 -3.47 117.51 115.56 1u12 h ILE 302 Ca -0.57 -2.60 -0.59 0.00 1.55 0.00 0.00 64.86 62.65 1u12 h ILE 302 Cb 1.95 2.97 -0.09 0.00 -0.27 0.00 0.00 36.82 41.38 1u12 h ILE 302 CO -0.07 0.80 -0.46 -0.94 -1.05 0.00 0.00 178.15 176.43 1u12 s SER 303 N -7.39 4.40 0.16 2.16 1.04 0.03 -5.03 113.70 109.07 1u12 s SER 303 Ca -0.12 -1.23 0.23 0.00 0.48 0.00 0.00 55.95 55.31 1u12 s SER 303 Cb 0.04 -0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.10 1u12 s SER 303 CO 0.89 -0.71 1.06 0.61 0.98 0.00 0.00 173.24 176.07 1u12 n GLY 304 N -1.35 -1.40 2.83 7.32 0.00 -1.26 -4.38 105.19 106.95 1u12 n GLY 304 Ca -0.04 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 1u12 n GLY 304 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1u12 n GLU 305 N -2.46 0.00 -0.28 1.61 0.28 -1.26 -4.50 120.64 114.02 1u12 n GLU 305 Ca 0.01 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.70 1u12 n GLU 305 Cb 0.52 -0.90 0.29 0.00 1.43 0.00 0.00 31.44 32.78 1u12 n GLU 305 CO 0.00 0.00 0.00 -2.14 -0.16 0.00 0.00 177.13 174.83 1u12 s PRO 306 N -0.68 -3.11 0.25 3.44 0.02 -1.26 -4.11 135.00 129.54 1u12 s PRO 306 Ca 0.57 0.19 -0.30 0.00 0.02 0.00 0.00 61.00 61.49 1u12 s PRO 306 Cb -0.82 -1.35 -0.09 0.00 0.02 0.00 0.00 34.50 32.25 1u12 s PRO 306 CO 0.47 -5.01 1.31 1.03 -0.33 0.00 0.00 177.00 174.47 1u12 s ARG 307 N -5.00 4.39 0.18 5.54 1.81 0.11 -4.74 118.95 121.23 1u12 s ARG 307 Ca 0.68 2.11 0.26 0.00 -1.72 0.00 0.00 55.73 57.06 1u12 s ARG 307 Cb -0.14 -3.15 0.83 0.00 -0.45 0.00 0.00 34.95 32.04 1u12 s ARG 307 CO 0.58 -0.22 1.77 0.43 -0.68 0.00 0.00 175.30 177.18 1u12 n SER 308 N 1.99 0.71 -3.51 0.23 7.64 -1.26 -1.23 113.62 118.19 1u12 n SER 308 Ca 0.04 0.53 -0.10 0.00 1.01 0.00 0.00 58.87 60.35 1u12 n SER 308 Cb 0.42 -0.70 -0.02 0.00 -1.01 0.00 0.00 64.21 62.91 1u12 n SER 308 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1u12 s ALA 309 N -3.09 -1.62 0.05 -0.43 0.00 -1.26 -4.83 121.76 110.57 1u12 s ALA 309 Ca 0.11 0.52 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 1u12 s ALA 309 Cb 0.13 0.74 -0.05 0.00 0.00 0.00 0.00 23.12 23.94 1u12 s ALA 309 CO 0.60 -0.80 0.89 0.99 0.00 0.00 0.00 175.76 177.44 1u12 s THR 310 N -3.57 4.70 -0.05 0.00 2.01 -1.26 -3.61 115.64 113.85 1u12 s THR 310 Ca 0.04 1.89 0.04 0.00 0.31 0.00 0.00 61.69 63.97 1u12 s THR 310 Cb -0.02 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.25 1u12 s THR 310 CO -0.09 0.29 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.26 1u12 s VAL 311 N 0.28 1.55 0.12 3.82 1.01 0.13 0.41 120.40 127.71 1u12 s VAL 311 Ca 0.45 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1u12 s VAL 311 Cb -0.21 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1u12 s VAL 311 CO 0.26 0.44 -0.09 -0.44 0.00 0.00 0.00 175.10 175.27 1u12 s SER 312 N 0.12 1.54 -0.19 3.32 0.01 -0.18 0.08 113.70 118.40 1u12 s SER 312 Ca -0.07 -0.94 -0.29 0.00 1.31 0.00 0.00 55.95 55.96 1u12 s SER 312 Cb -0.13 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 1u12 s SER 312 CO 0.03 -0.33 1.28 0.00 0.41 0.00 0.00 173.24 174.63 1u12 s ALA 313 N -3.08 3.60 0.12 1.44 0.00 -0.88 0.25 121.76 123.21 1u12 s ALA 313 Ca 0.12 0.39 -0.05 0.00 0.00 0.00 0.00 51.96 52.42 1u12 s ALA 313 Cb 0.01 -3.66 -0.11 0.00 0.00 0.00 0.00 23.12 19.37 1u12 s ALA 313 CO -0.01 -1.31 1.29 0.00 0.00 0.00 0.00 175.76 175.74 1u12 h ALA 314 N 8.47 0.34 -2.16 0.00 0.00 -0.25 0.14 119.26 125.80 1u12 h ALA 314 Ca -0.27 -0.71 -0.42 0.00 0.00 0.00 0.00 54.91 53.51 1u12 h ALA 314 Cb 1.10 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1u12 h ALA 314 CO 0.98 0.81 -0.61 -0.08 0.00 0.00 0.00 179.25 180.35 1u12 s THR 315 N -3.25 0.92 0.14 0.00 -1.32 -0.92 -4.56 115.64 106.65 1u12 s THR 315 Ca -0.06 -2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 58.11 1u12 s THR 315 Cb 0.09 -2.72 -0.10 0.00 -1.51 0.00 0.00 72.50 68.25 1u12 s THR 315 CO 0.87 -0.00 1.66 0.28 -2.21 0.00 0.00 174.62 175.22 1u12 s THR 316 N -3.49 2.59 0.41 5.08 -1.32 -1.26 -4.05 115.64 113.60 1u12 s THR 316 Ca 0.37 0.31 0.07 0.00 -1.21 0.00 0.00 61.69 61.23 1u12 s THR 316 Cb 0.08 -3.20 -0.06 0.00 -1.51 0.00 0.00 72.50 67.82 1u12 s THR 316 CO 0.15 0.01 0.14 0.68 -2.21 0.00 0.00 174.62 173.39 1u12 s VAL 317 N 1.77 2.29 -0.16 5.08 -7.23 0.11 -4.47 120.40 117.79 1u12 s VAL 317 Ca 0.74 -1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1u12 s VAL 317 Cb -0.44 -2.99 0.04 0.00 0.56 0.00 0.00 36.38 33.55 1u12 s VAL 317 CO 0.32 -0.02 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.52 1u12 s SER 318 N -3.86 2.69 0.35 4.85 0.15 0.76 -0.74 113.70 117.89 1u12 s SER 318 Ca 0.40 -0.62 0.09 0.00 0.70 0.00 0.00 55.95 56.51 1u12 s SER 318 Cb 0.05 -0.78 -0.06 0.00 -1.71 0.00 0.00 66.02 63.51 1u12 s SER 318 CO 0.22 -0.21 -0.06 -0.76 1.20 0.00 0.00 173.24 173.62 1u12 s LEU 319 N 1.73 2.81 -0.11 3.45 1.43 0.14 -0.52 118.68 127.61 1u12 s LEU 319 Ca 0.01 -1.15 0.01 0.00 -1.03 0.00 0.00 54.13 51.97 1u12 s LEU 319 Cb -0.15 -1.09 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1u12 s LEU 319 CO -0.07 -0.22 -0.14 -0.76 0.23 0.00 0.00 176.35 175.39 1u12 s LEU 320 N -3.64 1.63 0.03 1.79 1.43 0.21 -1.61 118.68 118.51 1u12 s LEU 320 Ca 0.33 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1u12 s LEU 320 Cb 0.02 -1.02 -0.04 0.00 0.03 0.00 0.00 46.19 45.18 1u12 s LEU 320 CO 0.17 -0.01 0.02 -0.55 0.23 0.00 0.00 176.35 176.21 1u12 s SER 321 N 1.10 5.19 -0.25 2.29 0.15 0.06 -0.40 113.70 121.83 1u12 s SER 321 Ca -0.05 -0.03 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 1u12 s SER 321 Cb -0.14 -1.35 0.08 0.00 -1.71 0.00 0.00 66.02 62.90 1u12 s SER 321 CO -0.03 0.24 0.05 -0.22 1.20 0.00 0.00 173.24 174.49 1u12 s LEU 322 N -1.84 1.88 0.33 3.45 2.96 -0.61 -0.76 118.68 124.08 1u12 s LEU 322 Ca 0.22 -1.25 -0.28 0.00 -0.22 0.00 0.00 54.13 52.61 1u12 s LEU 322 Cb -0.12 -0.81 -0.09 0.00 0.50 0.00 0.00 46.19 45.67 1u12 s LEU 322 CO 0.14 -0.34 1.17 -2.28 -1.32 0.00 0.00 176.35 173.72 1u12 s HIS 323 N 1.68 3.29 0.13 5.38 5.65 -1.26 -1.41 115.29 128.75 1u12 s HIS 323 Ca 0.03 1.58 -0.22 0.00 0.25 0.00 0.00 55.06 56.70 1u12 s HIS 323 Cb -0.17 -3.42 -0.02 0.00 -1.18 0.00 0.00 32.58 27.79 1u12 s HIS 323 CO -0.15 -1.12 1.67 0.77 -0.65 0.00 0.00 174.74 175.25 1u12 h SER 324 N 3.35 -0.48 -1.05 9.88 0.02 0.26 -1.73 113.55 123.80 1u12 h SER 324 Ca -0.48 0.09 0.27 0.00 -0.84 0.00 0.00 61.79 60.83 1u12 h SER 324 Cb 1.22 0.23 -0.09 0.00 0.14 0.00 0.00 62.40 63.90 1u12 h SER 324 CO 0.65 -0.20 0.68 0.00 -1.14 0.00 0.00 176.83 176.82 1u12 h ALA 325 N 0.87 2.30 -0.28 3.77 0.00 -1.93 2.17 119.26 126.17 1u12 h ALA 325 Ca 0.10 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1u12 h ALA 325 Cb 0.33 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u12 h ALA 325 CO -0.25 -0.70 -0.01 -0.44 0.00 0.00 0.00 179.25 177.85 1u12 h ASP 326 N 0.36 0.50 -0.16 0.00 3.45 -1.70 -1.98 116.42 116.89 1u12 h ASP 326 Ca 0.59 -0.32 -0.20 0.00 0.43 0.00 0.00 57.03 57.53 1u12 h ASP 326 Cb 1.57 -0.13 0.01 0.00 -0.56 0.00 0.00 39.33 40.21 1u12 h ASP 326 CO -0.28 0.70 -0.68 0.15 -1.57 0.00 0.00 179.24 177.57 1u12 h PHE 327 N 0.29 0.99 -0.54 4.55 3.57 -0.26 -2.07 116.94 123.48 1u12 h PHE 327 Ca 0.08 -0.43 0.11 0.00 3.53 0.00 0.00 57.97 61.26 1u12 h PHE 327 Cb 0.45 -0.16 -0.10 0.00 2.79 0.00 0.00 35.95 38.93 1u12 h PHE 327 CO 0.04 1.25 -0.11 1.96 -2.23 0.00 0.00 178.31 179.22 1u12 h GLN 328 N 0.46 0.02 0.00 1.11 4.20 0.35 -1.02 115.11 120.23 1u12 h GLN 328 Ca -0.04 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 1u12 h GLN 328 Cb 1.31 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1u12 h GLN 328 CO 0.14 0.01 -0.26 0.00 -0.67 0.00 0.00 178.83 178.06 1u12 h MET 329 N 0.02 0.00 -0.82 1.46 -0.00 -1.36 -2.67 114.93 111.56 1u12 h MET 329 Ca 0.26 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.96 1u12 h MET 329 Cb 0.41 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 31.97 1u12 h MET 329 CO -0.54 0.26 0.50 1.25 -0.00 0.00 0.00 176.91 178.38 1u12 h LEU 330 N 0.00 0.98 -0.40 -0.10 5.85 -0.45 -1.70 115.31 119.47 1u12 h LEU 330 Ca -0.00 -0.05 -0.18 0.00 0.84 0.00 0.00 57.88 58.48 1u12 h LEU 330 Cb 1.11 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1u12 h LEU 330 CO 0.03 0.74 -0.76 0.00 -0.34 0.00 0.00 178.44 178.12 1u12 h SER 332 N 0.20 0.00 -0.25 0.00 0.02 -0.98 -2.98 113.55 109.56 1u12 h SER 332 Ca -0.03 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.73 1u12 h SER 332 Cb 1.34 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 1u12 h SER 332 CO 0.12 0.07 -0.55 0.77 -1.14 0.00 0.00 176.83 176.10 1u12 h SER 333 N 0.00 0.94 -3.28 3.07 4.64 -1.34 -3.44 113.55 114.15 1u12 h SER 333 Ca -0.00 -0.50 -0.57 0.00 -0.47 0.00 0.00 61.79 60.25 1u12 h SER 333 Cb 0.13 -0.27 -0.35 0.00 -0.31 0.00 0.00 62.40 61.61 1u12 h SER 333 CO 0.01 1.30 -0.83 -0.55 -0.87 0.00 0.00 176.83 175.89 1u12 s SER 334 N -6.95 2.31 0.32 4.97 0.15 -1.12 -5.01 113.70 108.36 1u12 s SER 334 Ca -0.10 -0.39 -0.00 0.00 0.70 0.00 0.00 55.95 56.15 1u12 s SER 334 Cb 0.10 -1.02 0.51 0.00 -1.71 0.00 0.00 66.02 63.91 1u12 s SER 334 CO 0.89 -0.00 1.98 -0.65 1.20 0.00 0.00 173.24 176.65 1u12 h PRO 335 N 7.46 1.00 -0.47 5.44 0.11 -1.85 -1.86 132.00 141.82 1u12 h PRO 335 Ca -0.31 -0.06 0.06 0.00 0.11 0.00 0.00 66.00 65.80 1u12 h PRO 335 Cb 1.17 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 32.03 1u12 h PRO 335 CO 0.48 0.66 0.32 0.93 -0.21 0.00 0.00 178.00 180.18 1u12 h GLU 336 N 1.03 0.39 0.02 1.05 5.08 -1.95 -2.16 114.58 118.05 1u12 h GLU 336 Ca 0.29 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.43 1u12 h GLU 336 Cb -0.09 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.08 1u12 h GLU 336 CO -0.07 0.26 -0.77 0.82 -1.00 0.00 0.00 179.01 178.26 1u12 h ILE 337 N 0.40 1.39 -0.16 3.13 2.04 -1.65 -2.93 117.51 119.72 1u12 h ILE 337 Ca 0.21 -2.18 0.04 0.00 1.00 0.00 0.00 64.86 63.92 1u12 h ILE 337 Cb 0.30 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 1u12 h ILE 337 CO -0.05 0.65 0.12 0.00 0.00 0.00 0.00 178.15 178.86 1u12 h ALA 338 N 0.31 2.12 0.11 1.87 0.00 -1.01 -0.63 119.26 122.03 1u12 h ALA 338 Ca -0.10 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 1u12 h ALA 338 Cb 1.47 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.28 1u12 h ALA 338 CO 0.15 -0.16 -1.20 1.49 0.00 0.00 0.00 179.25 179.53 1u12 h GLU 339 N 0.03 0.42 -0.20 0.00 4.57 -1.45 -2.68 114.58 115.28 1u12 h GLU 339 Ca 0.08 -0.60 -0.01 0.00 -1.18 0.00 0.00 59.36 57.64 1u12 h GLU 339 Cb 0.27 0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.06 1u12 h GLU 339 CO -0.00 1.26 0.08 0.82 -1.18 0.00 0.00 179.01 179.98 1u12 h ILE 340 N 0.17 1.16 -0.61 2.32 1.08 -1.06 -2.36 117.51 118.20 1u12 h ILE 340 Ca -0.15 -0.47 0.04 0.00 -0.39 0.00 0.00 64.86 63.89 1u12 h ILE 340 Cb 1.88 1.11 -0.04 0.00 -3.07 0.00 0.00 36.82 36.70 1u12 h ILE 340 CO 0.21 0.15 0.35 -0.26 -0.69 0.00 0.00 178.15 177.92 1u12 h PHE 341 N 0.17 0.65 0.11 1.37 -1.00 -1.22 -1.33 116.94 115.69 1u12 h PHE 341 Ca 0.07 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.87 1u12 h PHE 341 Cb 0.17 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 1u12 h PHE 341 CO -0.01 0.35 -0.29 0.00 -1.61 0.00 0.00 178.31 176.75 1u12 h ARG 342 N 0.68 -0.42 0.00 1.51 3.08 -1.23 -3.01 114.38 114.99 1u12 h ARG 342 Ca 0.26 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1u12 h ARG 342 Cb 0.09 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1u12 h ARG 342 CO -0.14 -0.28 0.00 1.63 -1.07 0.00 0.00 179.97 180.11 1u12 n LYS 343 N -4.08 0.00 0.00 0.04 4.76 -0.91 -1.51 118.16 116.46 1u12 n LYS 343 Ca -0.05 0.74 0.00 0.00 -2.87 0.00 0.00 58.31 56.13 1u12 n LYS 343 Cb 0.23 -1.46 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 1u12 n LYS 343 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1u12 n THR 344 N -2.43 0.00 0.68 -0.18 -1.04 -0.52 -3.39 114.28 107.41 1u12 n THR 344 Ca 0.00 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.08 1u12 n THR 344 Cb 0.00 -0.07 -0.08 0.00 -1.82 0.00 0.00 70.33 68.36 1u12 n THR 344 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u12 n ALA 345 N 0.40 3.84 -2.93 2.41 0.00 -0.57 -4.76 120.51 118.90 1u12 n ALA 345 Ca 0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 53.44 52.69 1u12 n ALA 345 Cb 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 19.45 18.81 1u12 n ALA 345 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1u12 s LEU 346 N -2.64 3.39 0.00 0.00 2.96 -1.22 -5.09 118.68 116.09 1u12 s LEU 346 Ca 0.06 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1u12 s LEU 346 Cb 0.11 -1.83 0.00 0.00 0.50 0.00 0.00 46.19 44.97 1u12 s LEU 346 CO 0.58 0.16 0.47 -1.84 -1.32 0.00 0.00 176.35 174.40