#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3l n PRO 213 N 0.00 0.00 -1.00 -1.09 -0.02 -1.26 -4.93 135.00 126.70 2a3l n PRO 213 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2a3l n PRO 213 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 33.50 33.20 2a3l n PRO 213 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2a3l n ASP 214 N 0.56 -1.34 0.07 2.55 -0.08 0.64 -4.69 116.55 114.26 2a3l n ASP 214 Ca 0.00 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.15 2a3l n ASP 214 Cb 0.00 -0.67 -0.13 0.00 2.34 0.00 0.00 41.12 42.66 2a3l n ASP 214 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2a3l h PRO 215 N 0.00 0.15 -0.87 -0.67 0.13 -1.73 -3.35 132.00 125.66 2a3l h PRO 215 Ca 0.00 -0.26 0.24 0.00 -0.87 0.00 0.00 66.00 65.10 2a3l h PRO 215 Cb 0.00 0.10 -0.16 0.00 0.13 0.00 0.00 31.00 31.07 2a3l h PRO 215 CO 0.00 1.06 0.00 -0.89 -0.23 0.00 0.00 178.00 177.95 2a3l n ILE 216 N -3.41 -0.37 0.00 -3.56 2.08 -1.26 -2.54 119.36 110.30 2a3l n ILE 216 Ca -0.08 1.93 0.00 0.00 0.56 0.00 0.00 62.75 65.15 2a3l n ILE 216 Cb 1.00 -2.80 0.00 0.00 -0.75 0.00 0.00 39.64 37.09 2a3l n ILE 216 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2a3l n ALA 217 N -3.25 -0.04 0.00 -1.39 0.00 -1.26 -5.00 120.51 109.57 2a3l n ALA 217 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2a3l n ALA 217 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.11 2a3l n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a3l n ALA 218 N -1.29 -0.75 -2.25 0.00 0.00 -1.05 -4.90 120.51 110.27 2a3l n ALA 218 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2a3l n ALA 218 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2a3l n ALA 218 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2a3l s ASP 219 N 0.00 6.38 0.53 0.00 -1.08 -1.26 -5.04 116.67 116.19 2a3l s ASP 219 Ca 0.00 1.01 -0.22 0.00 -0.52 0.00 0.00 52.55 52.81 2a3l s ASP 219 Cb 0.00 -2.28 -0.06 0.00 -1.46 0.00 0.00 42.92 39.13 2a3l s ASP 219 CO 0.00 -0.48 1.32 0.00 0.52 0.00 0.00 175.17 176.53 2a3l n ILE 220 N -1.79 3.58 0.00 4.11 3.06 -1.26 -5.00 119.36 122.06 2a3l n ILE 220 Ca 0.01 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.76 2a3l n ILE 220 Cb 0.55 -1.63 0.00 0.00 0.54 0.00 0.00 39.64 39.10 2a3l n ILE 220 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94 2a3l n LEU 221 N -0.76 0.00 0.00 9.51 0.00 -1.26 -5.19 117.00 119.30 2a3l n LEU 221 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.11 2a3l n LEU 221 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 2a3l n LEU 221 CO 0.54 0.00 0.00 -2.11 0.00 0.00 0.00 177.39 175.82 2a3l n ARG 222 N 0.00 0.00 0.00 1.96 1.85 -1.26 -5.19 116.66 114.02 2a3l n ARG 222 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2a3l n ARG 222 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2a3l n ARG 222 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2a3l n LYS 223 N 0.00 0.00 -0.00 2.89 5.02 -1.26 -4.96 118.16 119.85 2a3l n LYS 223 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2a3l n LYS 223 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2a3l n LYS 223 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2a3l n GLU 224 N 1.88 -0.50 -1.57 1.97 0.00 -1.26 -5.02 120.64 116.14 2a3l n GLU 224 Ca 0.00 -0.63 -0.45 0.00 0.00 0.00 0.00 57.16 56.08 2a3l n GLU 224 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 31.44 30.39 2a3l n GLU 224 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.13 174.83 2a3l n PRO 225 N -0.05 1.82 -2.45 3.44 -0.02 -1.26 -4.73 135.00 131.74 2a3l n PRO 225 Ca 0.00 0.53 -0.15 0.00 -2.02 0.00 0.00 63.50 61.86 2a3l n PRO 225 Cb 0.03 -2.99 0.03 0.00 -0.02 0.00 0.00 33.50 30.56 2a3l n PRO 225 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2a3l n GLU 226 N 8.38 2.63 0.00 -0.52 -0.58 -1.26 -4.13 120.64 125.16 2a3l n GLU 226 Ca 0.32 -3.89 0.00 0.00 -0.42 0.00 0.00 57.16 53.17 2a3l n GLU 226 Cb 0.38 -1.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.34 2a3l n GLU 226 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2a3l n GLN 227 N -0.53 0.00 -1.82 3.49 0.00 -1.26 -5.17 117.38 112.08 2a3l n GLN 227 Ca 0.26 0.00 -0.32 0.00 0.00 0.00 0.00 57.00 56.95 2a3l n GLN 227 Cb 0.84 0.00 0.03 0.00 0.00 0.00 0.00 30.24 31.10 2a3l n GLN 227 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2a3l s GLU 228 N 0.00 3.19 -0.21 2.61 -1.05 -1.26 -5.05 118.70 116.93 2a3l s GLU 228 Ca 0.00 1.03 0.01 0.00 -0.15 0.00 0.00 54.97 55.86 2a3l s GLU 228 Cb 0.00 -2.02 0.03 0.00 -0.44 0.00 0.00 34.13 31.70 2a3l s GLU 228 CO 0.00 -0.90 -0.15 0.95 0.95 0.00 0.00 175.26 176.11 2a3l s THR 229 N -2.81 2.27 0.00 1.83 -4.23 -1.26 -5.10 115.64 106.34 2a3l s THR 229 Ca 0.60 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.01 2a3l s THR 229 Cb -0.14 -2.08 0.00 0.00 1.34 0.00 0.00 72.50 71.62 2a3l s THR 229 CO 0.47 0.35 0.00 0.49 -0.54 0.00 0.00 174.62 175.38 2a3l n PHE 230 N 4.59 0.00 -1.30 3.99 3.72 -1.26 -4.77 117.46 122.43 2a3l n PHE 230 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2a3l n PHE 230 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 2a3l n PHE 230 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2a3l n VAL 231 N 0.00 -5.36 -1.17 -4.37 0.31 -1.26 -4.97 118.33 101.51 2a3l n VAL 231 Ca 0.00 1.88 0.00 0.00 -0.01 0.00 0.00 64.34 66.21 2a3l n VAL 231 Cb 0.00 -3.01 0.00 0.00 -0.91 0.00 0.00 33.84 29.92 2a3l n VAL 231 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2a3l n ARG 232 N 0.41 -2.31 -2.12 5.55 0.00 -1.26 -5.05 116.66 111.87 2a3l n ARG 232 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2a3l n ARG 232 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 32.43 2a3l n ARG 232 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2a3l s LEU 233 N 0.00 4.29 0.21 2.89 2.01 -1.26 -4.95 118.68 121.87 2a3l s LEU 233 Ca 0.00 2.11 0.23 0.00 0.01 0.00 0.00 54.13 56.48 2a3l s LEU 233 Cb 0.00 -3.54 0.25 0.00 0.01 0.00 0.00 46.19 42.91 2a3l s LEU 233 CO 0.00 -0.86 1.29 0.78 1.01 0.00 0.00 176.35 178.57 2a3l h ASN 234 N 8.96 0.00 -6.23 2.29 2.35 -2.01 -3.49 115.58 117.45 2a3l h ASN 234 Ca -0.36 -0.09 -0.30 0.00 -0.55 0.00 0.00 56.30 55.00 2a3l h ASN 234 Cb 1.16 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.54 2a3l h ASN 234 CO 0.95 0.04 -0.91 1.33 -1.65 0.00 0.00 177.43 177.19 2a3l n VAL 235 N -2.49 -5.89 -2.93 2.81 0.24 -1.26 -4.99 118.33 103.82 2a3l n VAL 235 Ca 0.02 0.18 -0.30 0.00 -2.04 0.00 0.00 64.34 62.21 2a3l n VAL 235 Cb 0.49 -4.51 -0.03 0.00 -1.47 0.00 0.00 33.84 28.32 2a3l n VAL 235 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 2a3l s PRO 236 N -3.18 3.74 0.00 7.34 0.02 -1.26 -4.98 135.00 136.68 2a3l s PRO 236 Ca 0.22 0.37 0.00 0.00 0.02 0.00 0.00 61.00 61.61 2a3l s PRO 236 Cb -0.03 -2.44 0.00 0.00 0.02 0.00 0.00 34.50 32.05 2a3l s PRO 236 CO 0.85 -0.00 0.00 1.28 -0.33 0.00 0.00 177.00 178.80 2a3l n LEU 237 N -1.28 0.00 0.00 -5.54 7.99 -1.26 -5.11 117.00 111.80 2a3l n LEU 237 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2a3l n LEU 237 Cb 0.54 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.85 2a3l n LEU 237 CO 0.48 -0.18 0.00 -0.62 -1.51 0.00 0.00 177.39 175.55 2a3l n GLU 238 N -1.55 0.00 -1.10 3.23 4.71 -1.26 -5.03 120.64 119.64 2a3l n GLU 238 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 2a3l n GLU 238 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 2a3l n GLU 238 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2a3l n VAL 239 N 0.00 0.00 -0.14 2.62 3.14 -1.26 -5.04 118.33 117.65 2a3l n VAL 239 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2a3l n VAL 239 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2a3l n VAL 239 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2a3l n PRO 240 N 0.28 3.27 -3.68 1.45 -0.04 -1.26 -5.10 135.00 129.91 2a3l n PRO 240 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 2a3l n PRO 240 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 2a3l n PRO 240 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2a3l s THR 241 N 0.56 0.03 0.58 0.52 -1.32 -1.26 -5.17 115.64 109.57 2a3l s THR 241 Ca 0.00 -0.25 0.02 0.00 -1.21 0.00 0.00 61.69 60.25 2a3l s THR 241 Cb 0.00 -0.73 0.06 0.00 -1.51 0.00 0.00 72.50 70.32 2a3l s THR 241 CO 0.00 -0.14 0.80 -0.55 -2.21 0.00 0.00 174.62 172.52 2a3l s SER 242 N -0.99 5.08 0.57 8.08 0.15 -1.26 -4.99 113.70 120.34 2a3l s SER 242 Ca -0.10 -0.22 0.30 0.00 0.70 0.00 0.00 55.95 56.62 2a3l s SER 242 Cb -0.03 -0.53 1.46 0.00 -1.71 0.00 0.00 66.02 65.20 2a3l s SER 242 CO 0.05 -1.29 1.87 0.44 1.20 0.00 0.00 173.24 175.52 2a3l h ASP 243 N 0.01 0.00 -0.37 5.45 3.45 -2.02 -2.74 116.42 120.20 2a3l h ASP 243 Ca -0.39 0.00 -0.70 0.00 0.43 0.00 0.00 57.03 56.37 2a3l h ASP 243 Cb 1.29 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.03 2a3l h ASP 243 CO 0.47 0.00 3.36 -0.62 -1.57 0.00 0.00 179.24 180.89 2a3l n GLU 244 N -3.96 3.91 -0.05 3.56 4.71 -1.26 -3.12 120.64 124.44 2a3l n GLU 244 Ca 0.14 -2.62 -0.03 0.00 -0.01 0.00 0.00 57.16 54.63 2a3l n GLU 244 Cb 0.83 -2.78 -0.15 0.00 -1.01 0.00 0.00 31.44 28.33 2a3l n GLU 244 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 2a3l n VAL 245 N 3.13 1.06 -1.49 2.62 3.14 -1.04 -4.27 118.33 121.49 2a3l n VAL 245 Ca 0.72 -0.74 -0.41 0.00 -2.96 0.00 0.00 64.34 60.94 2a3l n VAL 245 Cb 0.25 -0.45 -0.02 0.00 -1.06 0.00 0.00 33.84 32.55 2a3l n VAL 245 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2a3l n GLU 246 N -2.69 2.49 0.16 1.45 0.28 -1.18 -0.24 120.64 120.91 2a3l n GLU 246 Ca -0.21 -2.31 0.00 0.00 -0.16 0.00 0.00 57.16 54.48 2a3l n GLU 246 Cb 0.96 -3.12 0.00 0.00 1.43 0.00 0.00 31.44 30.72 2a3l n GLU 246 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2a3l n ALA 247 N 6.26 0.00 -0.29 -1.84 0.00 -1.26 -4.77 120.51 118.61 2a3l n ALA 247 Ca 0.53 0.00 0.09 0.00 0.00 0.00 0.00 53.44 54.05 2a3l n ALA 247 Cb 0.37 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.06 2a3l n ALA 247 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2a3l h TYR 248 N 0.00 0.62 -0.06 0.00 -1.99 -0.83 1.04 116.97 115.76 2a3l h TYR 248 Ca 0.00 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.80 2a3l h TYR 248 Cb 0.00 -0.15 -0.06 0.00 2.00 0.00 0.00 36.73 38.52 2a3l h TYR 248 CO 0.00 0.05 -0.46 0.87 -0.00 0.00 0.00 178.16 178.62 2a3l h LYS 249 N 0.47 -0.55 -1.01 4.88 1.57 -1.20 0.23 116.57 120.97 2a3l h LYS 249 Ca 0.48 0.04 0.25 0.00 -1.87 0.00 0.00 60.65 59.54 2a3l h LYS 249 Cb 0.79 0.13 -0.12 0.00 0.08 0.00 0.00 32.23 33.10 2a3l h LYS 249 CO -0.44 -0.37 0.60 0.00 -0.57 0.00 0.00 179.45 178.67 2a3l h LEU 251 N 0.57 -0.03 -0.82 0.00 4.07 0.13 -2.84 115.31 116.37 2a3l h LEU 251 Ca 0.64 -0.14 0.08 0.00 0.08 0.00 0.00 57.88 58.54 2a3l h LEU 251 Cb 1.25 0.01 -0.11 0.00 1.08 0.00 0.00 40.66 42.89 2a3l h LEU 251 CO -0.46 0.12 -0.56 1.56 -1.08 0.00 0.00 178.44 178.02 2a3l h GLN 252 N -0.19 -0.11 -0.29 1.13 4.20 0.35 0.30 115.11 120.50 2a3l h GLN 252 Ca -0.00 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.75 2a3l h GLN 252 Cb 0.18 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 2a3l h GLN 252 CO 0.01 -0.08 -0.35 0.93 -0.67 0.00 0.00 178.83 178.67 2a3l h GLU 253 N -0.12 -0.21 -0.91 1.46 5.08 -1.24 0.48 114.58 119.12 2a3l h GLU 253 Ca 0.15 0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.73 2a3l h GLU 253 Cb 0.48 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 2a3l h GLU 253 CO -0.84 -0.14 0.60 0.00 -1.00 0.00 0.00 179.01 177.63 2a3l h LEU 255 N 0.42 0.68 0.31 0.00 7.12 0.26 -2.42 115.31 121.68 2a3l h LEU 255 Ca 0.48 -0.31 -0.02 0.00 0.13 0.00 0.00 57.88 58.17 2a3l h LEU 255 Cb 1.17 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.11 2a3l h LEU 255 CO -0.19 1.00 -0.15 -0.33 -0.13 0.00 0.00 178.44 178.65 2a3l h GLU 256 N 0.52 -0.40 -0.24 1.25 4.39 0.46 -3.18 114.58 117.38 2a3l h GLU 256 Ca 0.04 0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.79 2a3l h GLU 256 Cb 0.93 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.64 2a3l h GLU 256 CO 0.08 -0.27 -0.14 1.28 -1.16 0.00 0.00 179.01 178.80 2a3l n LEU 257 N -5.00 -0.25 -0.38 1.33 4.77 0.24 0.16 117.00 117.87 2a3l n LEU 257 Ca -0.05 0.91 -0.01 0.00 -0.03 0.00 0.00 56.01 56.83 2a3l n LEU 257 Cb 0.17 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2a3l n LEU 257 CO 0.13 -0.59 0.59 -1.14 -1.33 0.00 0.00 177.39 175.05 2a3l n ARG 258 N -3.43 -0.23 0.10 3.23 0.63 -0.91 -1.00 116.66 115.05 2a3l n ARG 258 Ca 0.00 1.54 -0.15 0.00 -0.92 0.00 0.00 57.85 58.32 2a3l n ARG 258 Cb 0.06 -2.28 -0.08 0.00 0.45 0.00 0.00 32.46 30.61 2a3l n ARG 258 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2a3l h LYS 259 N 0.00 -0.64 -3.64 -0.14 3.64 0.15 -1.75 116.57 114.19 2a3l h LYS 259 Ca 0.35 0.04 -0.40 0.00 -1.27 0.00 0.00 60.65 59.38 2a3l h LYS 259 Cb 0.60 0.15 0.02 0.00 -0.41 0.00 0.00 32.23 32.59 2a3l h LYS 259 CO -0.99 -0.43 2.45 0.54 -2.27 0.00 0.00 179.45 178.76 2a3l n ARG 260 N -5.47 1.85 0.00 1.90 5.12 -0.01 -3.64 116.66 116.42 2a3l n ARG 260 Ca -0.07 -1.45 0.00 0.00 -1.93 0.00 0.00 57.85 54.40 2a3l n ARG 260 Cb 0.39 -2.49 0.00 0.00 -1.16 0.00 0.00 32.46 29.19 2a3l n ARG 260 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2a3l n TYR 261 N 4.78 -0.55 -1.68 -1.55 0.53 -1.01 -4.90 117.16 112.79 2a3l n TYR 261 Ca 0.42 0.02 -0.47 0.00 -1.02 0.00 0.00 57.90 56.86 2a3l n TYR 261 Cb 0.16 0.15 -0.04 0.00 -1.03 0.00 0.00 39.34 38.58 2a3l n TYR 261 CO 0.00 0.00 0.00 1.55 -1.02 0.00 0.00 176.86 177.39 2a3l n VAL 262 N -1.76 0.55 -1.54 -0.72 3.14 -0.69 -4.87 118.33 112.45 2a3l n VAL 262 Ca 0.00 -0.10 -0.35 0.00 -2.96 0.00 0.00 64.34 60.93 2a3l n VAL 262 Cb 0.00 -1.94 0.08 0.00 -1.06 0.00 0.00 33.84 30.92 2a3l n VAL 262 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 2a3l s PHE 263 N 3.79 2.08 -0.27 1.45 2.19 -1.26 -4.94 117.98 121.02 2a3l s PHE 263 Ca 0.90 1.57 -0.19 0.00 0.33 0.00 0.00 56.93 59.55 2a3l s PHE 263 Cb -0.63 -3.51 0.07 0.00 -1.31 0.00 0.00 43.02 37.64 2a3l s PHE 263 CO 0.48 -2.63 0.68 1.14 1.83 0.00 0.00 175.22 176.72 2a3l s GLN 264 N -3.77 0.73 -0.69 10.12 -2.07 -1.26 -5.02 119.66 117.70 2a3l s GLN 264 Ca 0.76 1.11 -0.27 0.00 -1.82 0.00 0.00 55.36 55.14 2a3l s GLN 264 Cb -0.31 0.23 -0.13 0.00 -1.09 0.00 0.00 33.01 31.71 2a3l s GLN 264 CO 0.43 -0.13 2.49 0.39 -1.32 0.00 0.00 175.29 177.15 2a3l n GLU 265 N 3.70 0.65 -0.34 9.60 1.02 -1.26 -4.84 120.64 129.16 2a3l n GLU 265 Ca -0.18 -0.08 0.26 0.00 -0.02 0.00 0.00 57.16 57.14 2a3l n GLU 265 Cb 0.57 -2.80 0.40 0.00 -0.02 0.00 0.00 31.44 29.59 2a3l n GLU 265 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2a3l n THR 266 N 7.82 0.00 -3.81 2.62 5.66 -1.26 -3.33 114.28 121.97 2a3l n THR 266 Ca 0.48 0.74 -0.29 0.00 -3.05 0.00 0.00 64.05 61.93 2a3l n THR 266 Cb 0.37 -1.23 -0.16 0.00 -1.55 0.00 0.00 70.33 67.75 2a3l n THR 266 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2a3l s VAL 267 N -3.87 0.91 0.32 1.08 1.01 -1.26 -5.14 120.40 113.44 2a3l s VAL 267 Ca -0.02 -0.83 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 2a3l s VAL 267 Cb 0.13 -1.34 -0.09 0.00 0.00 0.00 0.00 36.38 35.08 2a3l s VAL 267 CO 0.43 -0.18 1.01 0.00 0.00 0.00 0.00 175.10 176.36 2a3l s ALA 268 N 1.68 3.25 0.03 5.51 0.00 -1.21 -4.94 121.76 126.08 2a3l s ALA 268 Ca -0.03 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.61 2a3l s ALA 268 Cb -0.18 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.73 2a3l s ALA 268 CO -0.08 -0.02 0.20 -0.35 0.00 0.00 0.00 175.76 175.52 2a3l n PRO 269 N 0.71 -0.02 0.04 0.00 -0.04 -1.26 0.11 135.00 134.54 2a3l n PRO 269 Ca 0.01 0.20 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2a3l n PRO 269 Cb 0.48 -0.30 0.40 0.00 -0.04 0.00 0.00 33.50 34.04 2a3l n PRO 269 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2a3l n TRP 270 N -4.20 0.28 -2.38 0.54 2.14 -1.26 -2.79 117.44 109.77 2a3l n TRP 270 Ca 0.02 0.10 -0.36 0.00 2.07 0.00 0.00 57.50 59.33 2a3l n TRP 270 Cb 0.06 -0.67 0.02 0.00 -0.81 0.00 0.00 31.31 29.90 2a3l n TRP 270 CO 0.00 0.00 0.00 -0.85 2.07 0.00 0.00 177.69 178.91 2a3l n GLU 271 N -1.75 3.76 -0.70 -2.67 0.28 0.30 -4.93 120.64 114.93 2a3l n GLU 271 Ca 0.04 -4.23 -0.06 0.00 -0.16 0.00 0.00 57.16 52.74 2a3l n GLU 271 Cb 0.22 -2.32 -0.09 0.00 1.43 0.00 0.00 31.44 30.67 2a3l n GLU 271 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2a3l n LYS 272 N -0.34 1.41 0.00 3.44 -0.00 -1.12 -4.74 118.16 116.81 2a3l n LYS 272 Ca 0.46 -0.53 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 2a3l n LYS 272 Cb 0.34 -1.59 0.00 0.00 -0.00 0.00 0.00 35.03 33.78 2a3l n LYS 272 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2a3l n GLU 273 N 2.16 0.00 0.00 -1.58 2.13 -1.26 -5.16 120.64 116.93 2a3l n GLU 273 Ca 0.23 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.05 2a3l n GLU 273 Cb 0.66 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.37 2a3l n GLU 273 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2a3l n GLU 286 N 0.00 0.00 0.00 5.31 0.28 -1.26 -5.26 120.64 119.71 2a3l n GLU 286 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2a3l n GLU 286 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2a3l n GLU 286 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 2a3l n PRO 287 N 1.60 0.00 0.00 3.44 -0.02 -1.26 -5.08 135.00 133.68 2a3l n PRO 287 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2a3l n PRO 287 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 2a3l n PRO 287 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2a3l n PHE 288 N 0.00 0.00 -4.35 6.00 1.16 -1.26 -5.16 117.46 113.84 2a3l n PHE 288 Ca 0.00 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.39 2a3l n PHE 288 Cb 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 37.77 2a3l n PHE 288 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2a3l s ALA 289 N 0.00 2.02 0.00 1.98 0.00 -1.26 -4.92 121.76 119.58 2a3l s ALA 289 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 51.96 50.26 2a3l s ALA 289 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.12 2a3l s ALA 289 CO 0.00 0.01 0.00 1.58 0.00 0.00 0.00 175.76 177.35 2a3l n HIS 290 N -0.41 0.00 -1.41 0.00 -0.00 -1.26 -5.15 115.22 107.00 2a3l n HIS 290 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2a3l n HIS 290 Cb 0.61 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.48 2a3l n HIS 290 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2a3l n TYR 291 N 0.00 -3.07 -2.58 1.57 4.01 -1.26 -4.91 117.16 110.92 2a3l n TYR 291 Ca 0.00 1.81 -0.36 0.00 -0.16 0.00 0.00 57.90 59.19 2a3l n TYR 291 Cb 0.00 -3.02 -0.04 0.00 -0.31 0.00 0.00 39.34 35.97 2a3l n TYR 291 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2a3l s PRO 292 N -1.80 4.16 0.00 -0.72 0.04 -1.26 -5.02 135.00 130.41 2a3l s PRO 292 Ca 0.00 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2a3l s PRO 292 Cb 0.00 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 32.05 2a3l s PRO 292 CO 0.00 -0.13 0.00 0.94 0.04 0.00 0.00 177.00 177.85 2a3l n GLN 293 N -0.15 0.00 0.00 4.56 -0.06 -1.26 -5.08 117.38 115.39 2a3l n GLN 293 Ca 0.05 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 2a3l n GLN 293 Cb 0.50 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.68 2a3l n GLN 293 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2a3l n GLY 294 N 1.87 3.09 1.31 1.69 0.00 -1.26 -5.03 105.19 106.86 2a3l n GLY 294 Ca 0.00 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 2a3l n GLY 294 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a3l n LYS 295 N 0.00 0.00 0.00 1.61 4.01 -1.26 -4.79 118.16 117.73 2a3l n LYS 295 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2a3l n LYS 295 Cb 0.00 -0.54 0.00 0.00 -0.51 0.00 0.00 35.03 33.98 2a3l n LYS 295 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 2a3l n SER 296 N 1.80 0.00 0.00 4.39 7.64 -1.26 -4.54 113.62 121.65 2a3l n SER 296 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.02 2a3l n SER 296 Cb -0.02 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2a3l n SER 296 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2a3l n ASP 297 N 0.00 -1.56 -0.73 6.43 4.64 -1.26 -4.64 116.55 119.42 2a3l n ASP 297 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 2a3l n ASP 297 Cb 0.00 0.83 0.00 0.00 -1.04 0.00 0.00 41.12 40.91 2a3l n ASP 297 CO 0.00 0.00 0.00 1.41 -0.82 0.00 0.00 177.20 177.79 2a3l n HIS 298 N 0.02 -0.10 -1.46 -0.67 8.25 -1.07 -4.79 115.22 115.41 2a3l n HIS 298 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2a3l n HIS 298 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2a3l n HIS 298 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a3l n PHE 300 N 0.26 0.00 -3.33 0.00 0.99 -1.26 -3.82 117.46 110.29 2a3l n PHE 300 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.29 2a3l n PHE 300 Cb 0.00 -0.05 0.05 0.00 -1.00 0.00 0.00 39.48 38.48 2a3l n PHE 300 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2a3l n GLU 301 N -2.73 -1.77 -1.89 -1.08 -0.58 -1.26 0.19 120.64 111.52 2a3l n GLU 301 Ca -0.01 0.91 -0.40 0.00 -0.42 0.00 0.00 57.16 57.23 2a3l n GLU 301 Cb 0.05 -5.27 -0.03 0.00 -0.57 0.00 0.00 31.44 25.62 2a3l n GLU 301 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2a3l s MET 302 N -4.48 2.79 -0.15 3.49 -2.45 -1.26 -2.96 119.30 114.28 2a3l s MET 302 Ca 0.34 1.16 -0.12 0.00 -1.25 0.00 0.00 55.69 55.83 2a3l s MET 302 Cb -0.07 -4.37 -0.05 0.00 1.25 0.00 0.00 34.83 31.60 2a3l s MET 302 CO 0.78 -2.51 0.23 -0.65 1.05 0.00 0.00 175.02 173.92 2a3l s GLN 303 N 6.79 4.06 -1.32 4.11 -0.21 -0.63 -4.56 119.66 127.89 2a3l s GLN 303 Ca 0.80 -0.01 -0.18 0.00 0.02 0.00 0.00 55.36 56.00 2a3l s GLN 303 Cb -0.18 -3.36 0.02 0.00 1.00 0.00 0.00 33.01 30.48 2a3l s GLN 303 CO 0.27 0.40 0.48 -0.25 -2.12 0.00 0.00 175.29 174.07 2a3l n ASP 304 N 3.11 -2.36 0.00 5.90 8.00 -1.26 -0.76 116.55 129.19 2a3l n ASP 304 Ca -0.15 -1.20 0.00 0.00 0.71 0.00 0.00 54.79 54.15 2a3l n ASP 304 Cb 0.52 -2.18 0.00 0.00 -0.02 0.00 0.00 41.12 39.45 2a3l n ASP 304 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2a3l n GLY 305 N -2.14 0.99 3.18 0.44 0.00 -1.26 -4.72 105.19 101.69 2a3l n GLY 305 Ca -0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2a3l n GLY 305 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2a3l s VAL 306 N -1.90 3.37 1.02 1.61 1.01 0.06 -4.71 120.40 120.86 2a3l s VAL 306 Ca 0.00 -1.58 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 2a3l s VAL 306 Cb 0.00 -3.08 0.20 0.00 0.00 0.00 0.00 36.38 33.51 2a3l s VAL 306 CO 0.00 -0.37 1.10 0.54 0.00 0.00 0.00 175.10 176.37 2a3l s VAL 307 N 1.26 2.02 0.00 2.92 0.11 -1.26 -1.61 120.40 123.84 2a3l s VAL 307 Ca 0.01 0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 2a3l s VAL 307 Cb -0.21 -2.02 0.00 0.00 -1.53 0.00 0.00 36.38 32.62 2a3l s VAL 307 CO -0.01 -0.01 0.00 1.41 -3.33 0.00 0.00 175.10 173.16 2a3l n HIS 308 N -4.54 0.00 -1.69 1.54 8.25 -0.97 -4.72 115.22 113.08 2a3l n HIS 308 Ca 0.08 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.48 2a3l n HIS 308 Cb 0.53 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.64 2a3l n HIS 308 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2a3l n VAL 309 N -1.10 -1.03 -1.84 1.59 3.14 0.51 -4.10 118.33 115.50 2a3l n VAL 309 Ca 0.00 0.13 -0.32 0.00 -2.96 0.00 0.00 64.34 61.19 2a3l n VAL 309 Cb 0.06 -1.22 0.02 0.00 -1.06 0.00 0.00 33.84 31.65 2a3l n VAL 309 CO 0.00 0.00 0.00 -0.36 -6.46 0.00 0.00 176.83 170.01 2a3l s PHE 310 N -0.45 3.17 -0.18 1.45 0.08 -1.25 -3.19 117.98 117.62 2a3l s PHE 310 Ca 0.06 1.44 -0.40 0.00 0.12 0.00 0.00 56.93 58.15 2a3l s PHE 310 Cb -0.01 -2.89 -0.19 0.00 -0.57 0.00 0.00 43.02 39.37 2a3l s PHE 310 CO 0.13 -1.04 1.18 0.00 -0.10 0.00 0.00 175.22 175.39 2a3l n ALA 311 N -2.58 -2.59 0.00 5.36 0.00 -1.26 -4.62 120.51 114.82 2a3l n ALA 311 Ca 0.08 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2a3l n ALA 311 Cb 0.53 -1.69 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2a3l n ALA 311 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2a3l n ASN 312 N 2.29 0.00 0.00 0.00 4.05 -1.26 -2.39 115.26 117.95 2a3l n ASN 312 Ca 0.22 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.25 2a3l n ASN 312 Cb 0.02 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.03 2a3l n ASN 312 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 177.26 176.50 2a3l n LYS 313 N -2.22 0.00 -3.24 1.20 2.85 -1.26 -2.58 118.16 112.91 2a3l n LYS 313 Ca 0.00 0.00 -0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2a3l n LYS 313 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2a3l n LYS 313 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2a3l s ASP 314 N -1.06 -0.87 0.00 -5.58 1.01 -1.00 -4.82 116.67 104.35 2a3l s ASP 314 Ca 0.00 0.71 0.00 0.00 0.71 0.00 0.00 52.55 53.97 2a3l s ASP 314 Cb 0.00 1.84 0.00 0.00 1.01 0.00 0.00 42.92 45.77 2a3l s ASP 314 CO 0.00 -0.27 0.00 0.00 0.21 0.00 0.00 175.17 175.11 2a3l n ALA 315 N 5.41 0.00 -1.06 5.23 0.00 -1.26 -4.95 120.51 123.88 2a3l n ALA 315 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2a3l n ALA 315 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2a3l n ALA 315 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2a3l n LYS 316 N 0.00 0.00 0.00 0.00 3.00 -1.26 -4.95 118.16 114.95 2a3l n LYS 316 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2a3l n LYS 316 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2a3l n LYS 316 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2a3l n GLU 317 N 0.00 1.81 -0.13 1.64 4.71 -1.26 -5.16 120.64 122.25 2a3l n GLU 317 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 57.17 2a3l n GLU 317 Cb 0.07 -0.42 -0.00 0.00 -1.01 0.00 0.00 31.44 30.07 2a3l n GLU 317 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 2a3l n ASP 318 N -0.32 -4.76 -1.46 1.62 5.75 -1.26 -3.06 116.55 113.05 2a3l n ASP 318 Ca 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.92 2a3l n ASP 318 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 2a3l n ASP 318 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2a3l n LEU 319 N 0.00 3.45 0.00 -2.12 0.00 -1.19 -4.73 117.00 112.41 2a3l n LEU 319 Ca 0.00 -1.58 0.00 0.00 0.00 0.00 0.00 56.01 54.43 2a3l n LEU 319 Cb 0.06 -0.70 0.00 0.00 0.00 0.00 0.00 43.42 42.78 2a3l n LEU 319 CO 0.00 0.64 0.00 2.22 0.00 0.00 0.00 177.39 180.25 2a3l n PHE 320 N 1.36 0.00 -0.71 1.96 1.16 -1.17 -4.86 117.46 115.20 2a3l n PHE 320 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 2a3l n PHE 320 Cb 0.37 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.24 2a3l n PHE 320 CO 0.00 0.00 0.00 -0.35 -1.87 0.00 0.00 176.76 174.54 2a3l n PRO 321 N 0.00 3.50 -0.24 3.97 -0.04 -1.26 -5.09 135.00 135.84 2a3l n PRO 321 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2a3l n PRO 321 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2a3l n PRO 321 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2a3l n VAL 322 N 0.00 0.00 -2.84 0.52 3.14 -1.26 -4.94 118.33 112.94 2a3l n VAL 322 Ca 0.00 0.00 -0.40 0.00 -2.96 0.00 0.00 64.34 60.98 2a3l n VAL 322 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 2a3l n VAL 322 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2a3l s ALA 323 N -0.46 3.37 0.92 1.55 0.00 -1.26 -5.03 121.76 120.86 2a3l s ALA 323 Ca 0.00 0.51 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 2a3l s ALA 323 Cb 0.00 -3.11 0.14 0.00 0.00 0.00 0.00 23.12 20.16 2a3l s ALA 323 CO 0.00 0.24 1.11 0.16 0.00 0.00 0.00 175.76 177.27 2a3l s ASP 324 N -1.20 3.05 0.00 0.00 3.84 -1.26 -4.89 116.67 116.21 2a3l s ASP 324 Ca 0.40 1.93 0.00 0.00 -0.00 0.00 0.00 52.55 54.88 2a3l s ASP 324 Cb -0.24 -2.47 0.00 0.00 -1.38 0.00 0.00 42.92 38.82 2a3l s ASP 324 CO 0.29 -2.97 0.89 0.00 -0.00 0.00 0.00 175.17 173.38 2a3l n ALA 325 N -4.14 -0.16 -1.77 2.11 0.00 -1.26 -3.21 120.51 112.08 2a3l n ALA 325 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.13 2a3l n ALA 325 Cb 0.53 0.27 -0.00 0.00 0.00 0.00 0.00 19.45 20.24 2a3l n ALA 325 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2a3l s THR 326 N -2.58 2.29 0.00 0.00 -1.32 -1.26 -1.31 115.64 111.46 2a3l s THR 326 Ca 0.00 0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.76 2a3l s THR 326 Cb 0.00 -3.18 0.00 0.00 -1.51 0.00 0.00 72.50 67.81 2a3l s THR 326 CO 0.00 0.06 0.00 0.00 -2.21 0.00 0.00 174.62 172.47 2a3l n ALA 327 N 0.42 0.00 -0.16 11.08 0.00 -1.26 -4.66 120.51 125.93 2a3l n ALA 327 Ca 0.02 0.00 0.26 0.00 0.00 0.00 0.00 53.44 53.72 2a3l n ALA 327 Cb 0.41 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.30 2a3l n ALA 327 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2a3l h PHE 328 N 0.00 0.00 0.09 0.00 3.04 -1.17 3.77 116.94 122.67 2a3l h PHE 328 Ca 0.00 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.65 2a3l h PHE 328 Cb 0.00 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.49 2a3l h PHE 328 CO 0.00 0.00 -1.59 0.74 -2.02 0.00 0.00 178.31 175.44 2a3l h PHE 329 N 0.00 0.33 0.00 0.41 0.04 -1.72 -2.90 116.94 113.11 2a3l h PHE 329 Ca 0.44 -0.24 -0.17 0.00 2.80 0.00 0.00 57.97 60.80 2a3l h PHE 329 Cb 2.71 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 40.82 2a3l h PHE 329 CO 0.00 1.33 -0.79 1.79 -0.60 0.00 0.00 178.31 180.04 2a3l h THR 330 N 0.05 1.56 -0.16 -1.55 1.35 0.66 -0.89 112.91 113.93 2a3l h THR 330 Ca -0.26 -2.71 -0.17 0.00 -0.55 0.00 0.00 66.41 62.72 2a3l h THR 330 Cb 2.00 2.47 -0.00 0.00 -1.73 0.00 0.00 68.15 70.88 2a3l h THR 330 CO 0.13 0.77 -0.60 0.44 -0.25 0.00 0.00 175.52 176.01 2a3l h ASP 331 N 0.00 0.62 -0.58 5.36 3.32 -0.19 -1.06 116.42 123.89 2a3l h ASP 331 Ca -0.01 -0.35 -0.03 0.00 0.02 0.00 0.00 57.03 56.66 2a3l h ASP 331 Cb 1.40 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.75 2a3l h ASP 331 CO 0.10 1.08 0.23 0.25 -1.72 0.00 0.00 179.24 179.18 2a3l h LEU 332 N 0.41 0.79 -0.03 1.55 6.46 -1.27 0.93 115.31 124.15 2a3l h LEU 332 Ca -0.00 -0.17 -0.00 0.00 -0.12 0.00 0.00 57.88 57.59 2a3l h LEU 332 Cb 1.16 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.89 2a3l h LEU 332 CO 0.11 0.74 0.01 0.45 -0.62 0.00 0.00 178.44 179.14 2a3l h HIS 333 N 0.79 0.04 -0.76 1.25 3.86 -0.94 -0.16 115.15 119.24 2a3l h HIS 333 Ca 0.19 -0.00 0.10 0.00 -1.16 0.00 0.00 60.37 59.50 2a3l h HIS 333 Cb 0.20 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 28.54 2a3l h HIS 333 CO 0.01 0.16 -0.49 1.25 0.86 0.00 0.00 177.93 179.72 2a3l h HIS 334 N -0.08 -1.48 -0.61 2.45 -0.00 0.01 0.95 115.15 116.38 2a3l h HIS 334 Ca 0.01 0.10 0.08 0.00 -0.00 0.00 0.00 60.37 60.56 2a3l h HIS 334 Cb 0.13 0.75 -0.06 0.00 -0.00 0.00 0.00 27.41 28.23 2a3l h HIS 334 CO -0.03 -0.41 0.28 0.28 -0.00 0.00 0.00 177.93 178.04 2a3l h VAL 335 N -0.14 0.86 0.00 5.26 2.07 -0.69 -0.22 116.25 123.38 2a3l h VAL 335 Ca 0.19 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2a3l h VAL 335 Cb 0.53 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2a3l h VAL 335 CO -0.81 0.09 0.00 -0.11 0.02 0.00 0.00 177.57 176.77 2a3l n LEU 336 N -4.91 0.49 0.00 2.57 7.94 0.31 -0.68 117.00 122.71 2a3l n LEU 336 Ca 0.08 0.72 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 2a3l n LEU 336 Cb 0.23 -0.77 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2a3l n LEU 336 CO 0.25 -0.86 0.00 1.17 -1.11 0.00 0.00 177.39 176.85 2a3l n LYS 337 N -2.15 0.00 -0.33 1.96 3.00 0.07 -4.05 118.16 116.67 2a3l n LYS 337 Ca -0.01 0.30 0.27 0.00 -0.00 0.00 0.00 58.31 58.87 2a3l n LYS 337 Cb 0.05 -0.79 0.50 0.00 0.00 0.00 0.00 35.03 34.79 2a3l n LYS 337 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.40 177.16 2a3l h VAL 338 N 0.00 0.06 -0.76 3.15 3.04 -1.36 0.41 116.25 120.79 2a3l h VAL 338 Ca 0.00 -0.02 0.20 0.00 -1.01 0.00 0.00 66.70 65.88 2a3l h VAL 338 Cb 0.00 -0.00 -0.04 0.00 -2.01 0.00 0.00 31.29 29.24 2a3l h VAL 338 CO 0.00 0.01 0.53 -0.29 -1.01 0.00 0.00 177.57 176.81 2a3l h ILE 339 N 0.06 0.65 0.00 3.17 2.10 -1.08 -2.40 117.51 120.01 2a3l h ILE 339 Ca 0.77 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 66.68 2a3l h ILE 339 Cb 1.93 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 38.21 2a3l h ILE 339 CO -0.77 0.02 -0.04 0.00 -1.08 0.00 0.00 178.15 176.28 2a3l n ALA 340 N -2.64 1.81 -2.13 0.18 0.00 0.13 -4.59 120.51 113.27 2a3l n ALA 340 Ca 0.15 -1.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.02 2a3l n ALA 340 Cb 0.76 -0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.08 2a3l n ALA 340 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a3l s ALA 341 N -1.00 3.52 0.00 0.00 0.00 -0.41 -4.95 121.76 118.92 2a3l s ALA 341 Ca 0.05 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2a3l s ALA 341 Cb 0.05 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2a3l s ALA 341 CO 0.01 -0.53 0.20 0.41 0.00 0.00 0.00 175.76 175.84 2a3l n GLY 342 N 2.88 -1.45 0.33 0.00 0.00 -1.26 -2.66 105.19 103.02 2a3l n GLY 342 Ca 0.08 0.31 0.19 0.00 0.00 0.00 0.00 46.02 46.60 2a3l n GLY 342 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 2a3l h ASN 343 N 0.00 0.00 0.34 1.61 7.08 -1.97 -1.87 115.58 120.77 2a3l h ASN 343 Ca 0.00 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 52.99 2a3l h ASN 343 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.24 2a3l h ASN 343 CO 0.00 0.00 -0.96 0.40 -2.08 0.00 0.00 177.43 174.79 2a3l h ILE 344 N 0.00 1.40 -0.74 6.14 2.04 -1.83 -1.96 117.51 122.57 2a3l h ILE 344 Ca 0.02 -2.47 0.05 0.00 1.00 0.00 0.00 64.86 63.46 2a3l h ILE 344 Cb 0.18 2.44 -0.06 0.00 -0.74 0.00 0.00 36.82 38.65 2a3l h ILE 344 CO -0.00 0.74 0.44 0.03 0.00 0.00 0.00 178.15 179.35 2a3l h ARG 345 N 0.23 0.79 0.27 2.37 3.08 -1.13 -0.82 114.38 119.16 2a3l h ARG 345 Ca -0.08 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2a3l h ARG 345 Cb 1.60 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.47 2a3l h ARG 345 CO 0.17 0.52 -0.13 1.15 -1.07 0.00 0.00 179.97 180.61 2a3l h THR 346 N 0.81 0.78 -0.26 2.04 2.02 -1.41 -1.46 112.91 115.43 2a3l h THR 346 Ca 0.32 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 67.19 2a3l h THR 346 Cb 0.15 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 2a3l h THR 346 CO -0.17 0.08 -0.02 0.25 0.37 0.00 0.00 175.52 176.03 2a3l h LEU 347 N -0.55 -0.14 -0.58 2.58 5.85 -0.96 -0.83 115.31 120.70 2a3l h LEU 347 Ca -0.04 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2a3l h LEU 347 Cb 0.40 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2a3l h LEU 347 CO 0.06 -0.04 0.38 0.00 -0.34 0.00 0.00 178.44 178.50 2a3l h HIS 349 N 0.78 -0.50 -0.86 0.00 -0.00 -0.79 0.14 115.15 113.92 2a3l h HIS 349 Ca 0.21 0.01 0.22 0.00 -0.00 0.00 0.00 60.37 60.81 2a3l h HIS 349 Cb -0.08 0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.48 2a3l h HIS 349 CO -0.03 -0.28 0.59 -0.09 -0.00 0.00 0.00 177.93 178.12 2a3l h ARG 350 N -0.37 0.23 0.00 5.26 2.43 -0.74 -0.99 114.38 120.20 2a3l h ARG 350 Ca 0.03 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.95 2a3l h ARG 350 Cb 0.39 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 2a3l h ARG 350 CO -0.11 0.15 -1.29 -0.09 -1.51 0.00 0.00 179.97 177.12 2a3l h ARG 351 N 0.23 0.00 0.18 0.20 9.65 -0.21 -2.61 114.38 121.82 2a3l h ARG 351 Ca 0.43 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.30 2a3l h ARG 351 Cb 1.33 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 2a3l h ARG 351 CO -0.10 0.67 -0.09 -0.07 2.80 0.00 0.00 179.97 183.18 2a3l h LEU 352 N 0.00 -0.21 -1.56 3.80 4.07 0.51 -0.24 115.31 121.68 2a3l h LEU 352 Ca -0.14 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.52 2a3l h LEU 352 Cb 1.82 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 43.59 2a3l h LEU 352 CO 0.09 0.34 0.26 1.62 -1.08 0.00 0.00 178.44 179.68 2a3l h VAL 353 N -0.92 1.12 -0.06 1.22 3.04 -1.46 0.49 116.25 119.67 2a3l h VAL 353 Ca -0.02 -0.24 -0.06 0.00 -1.01 0.00 0.00 66.70 65.37 2a3l h VAL 353 Cb 0.49 0.51 -0.01 0.00 -2.01 0.00 0.00 31.29 30.27 2a3l h VAL 353 CO 0.04 0.12 -0.25 0.25 -1.01 0.00 0.00 177.57 176.72 2a3l h LEU 354 N 0.57 0.10 -0.69 3.16 5.85 -1.41 -1.87 115.31 121.03 2a3l h LEU 354 Ca 0.15 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 2a3l h LEU 354 Cb -0.04 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2a3l h LEU 354 CO -0.03 0.36 0.17 0.25 -0.34 0.00 0.00 178.44 178.85 2a3l h LEU 355 N 0.10 1.04 0.63 2.25 7.12 0.18 -3.13 115.31 123.49 2a3l h LEU 355 Ca 0.02 -0.23 -0.03 0.00 0.13 0.00 0.00 57.88 57.76 2a3l h LEU 355 Cb 0.50 -0.27 0.01 0.00 -0.53 0.00 0.00 40.66 40.36 2a3l h LEU 355 CO 0.04 1.00 -0.31 -0.08 -0.13 0.00 0.00 178.44 178.96 2a3l h GLU 356 N 1.03 -0.82 -0.78 1.25 4.81 -0.45 -2.87 114.58 116.75 2a3l h GLU 356 Ca 0.22 0.06 0.07 0.00 -0.13 0.00 0.00 59.36 59.57 2a3l h GLU 356 Cb 0.37 0.19 -0.09 0.00 0.63 0.00 0.00 28.75 29.84 2a3l h GLU 356 CO 0.00 -0.55 -0.46 0.94 -0.73 0.00 0.00 179.01 178.21 2a3l n GLN 357 N -4.31 -0.34 -0.10 1.92 -0.06 -0.99 0.45 117.38 113.95 2a3l n GLN 357 Ca -0.11 1.18 -0.06 0.00 -2.00 0.00 0.00 57.00 56.01 2a3l n GLN 357 Cb 0.34 -1.73 0.00 0.00 -4.06 0.00 0.00 30.24 24.79 2a3l n GLN 357 CO 0.00 0.00 0.00 0.87 -0.20 0.00 0.00 177.06 177.73 2a3l h LYS 358 N 0.00 -0.14 -0.58 3.69 1.57 -1.56 0.60 116.57 120.16 2a3l h LYS 358 Ca 0.13 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.97 2a3l h LYS 358 Cb 0.32 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 2a3l h LYS 358 CO -0.73 -0.09 0.29 0.35 -0.57 0.00 0.00 179.45 178.69 2a3l h PHE 359 N -0.15 0.52 -0.06 -1.35 3.57 0.24 -0.30 116.94 119.41 2a3l h PHE 359 Ca 0.18 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.73 2a3l h PHE 359 Cb 0.43 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 2a3l h PHE 359 CO -0.43 0.24 -0.09 -0.91 -2.23 0.00 0.00 178.31 174.89 2a3l h ASN 360 N 0.54 -0.26 -0.50 0.41 -0.26 0.65 -0.09 115.58 116.07 2a3l h ASN 360 Ca 0.26 0.05 0.10 0.00 -0.56 0.00 0.00 56.30 56.15 2a3l h ASN 360 Cb 0.19 0.12 -0.09 0.00 -1.06 0.00 0.00 38.32 37.48 2a3l h ASN 360 CO -0.19 -0.12 -0.11 0.25 -1.06 0.00 0.00 177.43 176.20 2a3l h LEU 361 N -0.12 -0.44 -0.74 1.61 6.46 0.72 0.15 115.31 122.96 2a3l h LEU 361 Ca 0.05 0.15 0.11 0.00 -0.12 0.00 0.00 57.88 58.07 2a3l h LEU 361 Cb 0.20 0.30 -0.08 0.00 -0.73 0.00 0.00 40.66 40.35 2a3l h LEU 361 CO -0.13 -0.16 0.35 -0.74 -0.62 0.00 0.00 178.44 177.14 2a3l h HIS 362 N 0.01 0.61 -0.77 1.25 2.76 -0.46 0.26 115.15 118.81 2a3l h HIS 362 Ca 0.24 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.41 2a3l h HIS 362 Cb 0.37 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 2a3l h HIS 362 CO -0.41 0.18 0.37 -0.07 -1.30 0.00 0.00 177.93 176.69 2a3l h LEU 363 N 0.56 1.01 -1.36 0.26 -0.00 0.89 0.33 115.31 117.00 2a3l h LEU 363 Ca 0.38 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.88 58.09 2a3l h LEU 363 Cb 0.47 -0.26 -0.01 0.00 -0.00 0.00 0.00 40.66 40.86 2a3l h LEU 363 CO -0.32 0.86 -0.23 0.24 -0.00 0.00 0.00 178.44 178.99 2a3l h MET 364 N 1.10 0.00 0.00 1.13 2.86 0.21 -1.40 114.93 118.83 2a3l h MET 364 Ca 0.27 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.61 2a3l h MET 364 Cb 0.12 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.72 2a3l h MET 364 CO -0.03 0.23 -2.00 1.28 1.06 0.00 0.00 176.91 177.45 2a3l n LEU 365 N -3.56 0.42 0.00 1.22 7.99 -0.31 -4.75 117.00 118.02 2a3l n LEU 365 Ca -0.01 0.20 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 2a3l n LEU 365 Cb 0.38 0.30 0.00 0.00 -0.11 0.00 0.00 43.42 43.99 2a3l n LEU 365 CO 0.33 0.39 0.13 0.59 -1.51 0.00 0.00 177.39 177.32 2a3l n ASN 366 N -2.85 0.51 -0.33 -1.43 3.02 0.11 -4.80 115.26 109.49 2a3l n ASN 366 Ca -0.23 -0.92 0.22 0.00 -0.03 0.00 0.00 54.58 53.63 2a3l n ASN 366 Cb 1.05 0.07 0.45 0.00 -0.61 0.00 0.00 39.78 40.74 2a3l n ASN 366 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2a3l h ALA 367 N 0.00 1.84 0.00 5.41 0.00 -1.39 1.06 119.26 126.18 2a3l h ALA 367 Ca 0.00 0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 2a3l h ALA 367 Cb 0.19 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 2a3l h ALA 367 CO 0.00 -0.58 -0.85 0.38 0.00 0.00 0.00 179.25 178.20 2a3l h ASP 368 N 0.28 0.07 -0.65 0.00 -0.00 -1.87 0.28 116.42 114.53 2a3l h ASP 368 Ca 0.71 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 57.66 2a3l h ASP 368 Cb 1.61 -0.02 -0.03 0.00 -0.00 0.00 0.00 39.33 40.88 2a3l h ASP 368 CO -0.63 0.89 0.36 0.11 -0.00 0.00 0.00 179.24 179.96 2a3l h LYS 369 N 0.03 0.92 -0.03 4.15 1.57 0.75 -1.13 116.57 122.83 2a3l h LYS 369 Ca -0.02 -0.10 -0.24 0.00 -1.87 0.00 0.00 60.65 58.42 2a3l h LYS 369 Cb 1.49 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.63 2a3l h LYS 369 CO 0.12 0.68 -0.94 0.93 -0.57 0.00 0.00 179.45 179.67 2a3l h GLU 370 N 0.93 0.56 0.27 3.15 5.08 -0.49 -2.47 114.58 121.60 2a3l h GLU 370 Ca 0.24 -0.57 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 2a3l h GLU 370 Cb 0.03 0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2a3l h GLU 370 CO -0.04 1.19 -0.35 0.35 -1.00 0.00 0.00 179.01 179.16 2a3l h PHE 371 N 0.33 -0.94 -0.45 4.33 3.57 0.09 -3.08 116.94 120.80 2a3l h PHE 371 Ca -0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 2a3l h PHE 371 Cb 1.57 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 40.67 2a3l h PHE 371 CO 0.08 -0.48 0.20 -0.07 -2.23 0.00 0.00 178.31 175.81 2a3l h LEU 372 N -0.67 0.60 -0.85 0.59 3.38 -1.28 -2.84 115.31 114.22 2a3l h LEU 372 Ca -0.01 -0.15 0.17 0.00 0.09 0.00 0.00 57.88 57.99 2a3l h LEU 372 Cb 0.63 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 41.07 2a3l h LEU 372 CO -0.11 0.58 -0.20 0.00 0.09 0.00 0.00 178.44 178.80 2a3l h ALA 373 N 1.04 0.59 0.00 1.53 0.00 -1.35 1.16 119.26 122.23 2a3l h ALA 373 Ca 0.15 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.39 2a3l h ALA 373 Cb 0.15 0.64 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2a3l h ALA 373 CO -0.02 -0.40 0.44 1.96 0.00 0.00 0.00 179.25 181.23 2a3l h GLN 374 N 0.00 0.00 -0.00 0.00 4.20 -1.47 0.43 115.11 118.26 2a3l h GLN 374 Ca 0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.12 2a3l h GLN 374 Cb 0.64 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.42 2a3l h GLN 374 CO -0.88 0.00 -0.10 1.63 -0.67 0.00 0.00 178.83 178.81 2a3l n LYS 375 N -2.63 0.68 0.11 1.46 4.76 0.40 -3.17 118.16 119.76 2a3l n LYS 375 Ca -0.01 -0.22 0.12 0.00 -2.87 0.00 0.00 58.31 55.32 2a3l n LYS 375 Cb 0.47 -1.50 0.06 0.00 -1.84 0.00 0.00 35.03 32.22 2a3l n LYS 375 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 2a3l h SER 376 N 0.53 0.00 -3.18 4.39 4.64 -0.21 -3.34 113.55 116.38 2a3l h SER 376 Ca 0.00 -0.05 -0.72 0.00 -0.47 0.00 0.00 61.79 60.55 2a3l h SER 376 Cb 0.35 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.10 2a3l h SER 376 CO 0.00 0.03 0.05 0.00 -0.87 0.00 0.00 176.83 176.03 2a3l n ALA 377 N -2.09 4.06 -0.19 5.18 0.00 -1.19 -4.80 120.51 121.48 2a3l n ALA 377 Ca 0.01 -4.65 0.00 0.00 0.00 0.00 0.00 53.44 48.80 2a3l n ALA 377 Cb 0.52 -1.81 0.10 0.00 0.00 0.00 0.00 19.45 18.27 2a3l n ALA 377 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2a3l h PRO 378 N 5.82 0.30 0.54 0.00 0.11 -1.77 -3.14 132.00 133.86 2a3l h PRO 378 Ca 0.17 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 2a3l h PRO 378 Cb 0.78 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 2a3l h PRO 378 CO 0.94 0.20 -0.41 1.25 -0.21 0.00 0.00 178.00 179.77 2a3l h HIS 379 N 0.31 -1.09 -3.06 0.65 2.76 -1.92 -3.43 115.15 109.37 2a3l h HIS 379 Ca 0.30 -0.00 -0.56 0.00 -2.20 0.00 0.00 60.37 57.91 2a3l h HIS 379 Cb 0.42 0.41 -0.03 0.00 1.55 0.00 0.00 27.41 29.75 2a3l h HIS 379 CO -0.22 -0.59 0.75 0.50 -1.30 0.00 0.00 177.93 177.08 2a3l s ARG 380 N -5.98 4.32 0.00 5.26 3.52 -1.19 -4.94 118.95 119.94 2a3l s ARG 380 Ca -0.18 1.60 0.00 0.00 -0.13 0.00 0.00 55.73 57.02 2a3l s ARG 380 Cb 0.05 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 2a3l s ARG 380 CO 0.62 -0.52 0.00 -3.47 -0.81 0.00 0.00 175.30 171.11 2a3l n ASP 381 N 5.70 0.50 0.16 -2.12 2.03 -1.26 -4.88 116.55 116.68 2a3l n ASP 381 Ca 0.12 -0.52 -0.12 0.00 0.52 0.00 0.00 54.79 54.79 2a3l n ASP 381 Cb 0.46 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.80 2a3l n ASP 381 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 2a3l h PHE 382 N 0.52 -0.96 0.00 -0.67 -0.00 -1.95 -2.96 116.94 110.92 2a3l h PHE 382 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.98 2a3l h PHE 382 Cb 0.00 0.38 0.00 0.00 -0.00 0.00 0.00 35.95 36.33 2a3l h PHE 382 CO 0.00 -0.43 0.00 2.48 -0.00 0.00 0.00 178.31 180.36 2a3l n TYR 383 N -4.42 0.00 -0.14 0.41 4.11 -1.26 -1.50 117.16 114.36 2a3l n TYR 383 Ca -0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 57.94 2a3l n TYR 383 Cb 0.30 -0.20 0.21 0.00 -0.00 0.00 0.00 39.34 39.65 2a3l n TYR 383 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 2a3l n ASN 384 N -1.81 0.08 -4.71 9.48 4.13 -1.21 -4.43 115.26 116.80 2a3l n ASN 384 Ca 0.00 0.73 -0.42 0.00 1.68 0.00 0.00 54.58 56.57 2a3l n ASN 384 Cb 0.00 -0.32 -0.03 0.00 -1.54 0.00 0.00 39.78 37.89 2a3l n ASN 384 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2a3l s VAL 385 N -4.86 3.58 -0.21 2.41 0.11 -0.56 -4.93 120.40 115.94 2a3l s VAL 385 Ca -0.05 1.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.81 2a3l s VAL 385 Cb 0.14 -3.71 -0.01 0.00 -1.53 0.00 0.00 36.38 31.27 2a3l s VAL 385 CO 0.34 0.06 1.36 -0.13 -3.33 0.00 0.00 175.10 173.40 2a3l s ARG 386 N 1.43 4.07 0.02 1.54 3.00 -1.26 -4.91 118.95 122.84 2a3l s ARG 386 Ca 0.63 1.58 0.07 0.00 0.00 0.00 0.00 55.73 58.01 2a3l s ARG 386 Cb -0.34 -3.86 -0.03 0.00 0.00 0.00 0.00 34.95 30.73 2a3l s ARG 386 CO 0.29 -0.93 -0.20 -1.59 0.00 0.00 0.00 175.30 172.87 2a3l s LYS 387 N 3.92 2.10 -0.13 3.54 0.00 -0.77 -4.65 119.74 123.75 2a3l s LYS 387 Ca 0.59 -0.95 -0.01 0.00 0.00 0.00 0.00 55.97 55.60 2a3l s LYS 387 Cb -0.22 -2.17 -0.02 0.00 0.00 0.00 0.00 37.83 35.43 2a3l s LYS 387 CO 0.20 0.55 -0.09 0.14 0.00 0.00 0.00 175.35 176.15 2a3l s VAL 388 N -0.84 3.40 -1.19 1.79 -7.23 -1.26 -1.33 120.40 113.74 2a3l s VAL 388 Ca 0.13 -0.54 -0.20 0.00 -1.81 0.00 0.00 61.98 59.56 2a3l s VAL 388 Cb -0.10 -2.44 0.05 0.00 0.56 0.00 0.00 36.38 34.44 2a3l s VAL 388 CO 0.03 0.52 1.67 -0.62 -0.31 0.00 0.00 175.10 176.40 2a3l s ASP 389 N 0.18 6.55 0.00 4.85 3.68 -1.05 -4.82 116.67 126.05 2a3l s ASP 389 Ca -0.05 -2.02 0.06 0.00 2.13 0.00 0.00 52.55 52.67 2a3l s ASP 389 Cb -0.15 -2.58 0.36 0.00 -1.45 0.00 0.00 42.92 39.11 2a3l s ASP 389 CO 0.04 -1.47 0.77 0.35 0.13 0.00 0.00 175.17 175.00 2a3l n THR 390 N 6.70 0.00 -3.15 1.71 -2.24 -1.26 -2.03 114.28 114.01 2a3l n THR 390 Ca 0.43 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.24 2a3l n THR 390 Cb 0.48 -0.77 -0.00 0.00 -2.10 0.00 0.00 70.33 67.93 2a3l n THR 390 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2a3l s HIS 391 N -2.00 -1.64 0.01 4.78 5.65 -1.26 -4.89 115.29 115.95 2a3l s HIS 391 Ca 0.09 0.60 0.00 0.00 0.25 0.00 0.00 55.06 56.00 2a3l s HIS 391 Cb 0.04 0.29 -0.01 0.00 -1.18 0.00 0.00 32.58 31.72 2a3l s HIS 391 CO 0.07 -1.03 -0.02 0.08 -0.65 0.00 0.00 174.74 173.18 2a3l s VAL 392 N 2.34 0.11 -0.26 0.89 1.01 -1.26 -1.25 120.40 121.99 2a3l s VAL 392 Ca 0.14 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2a3l s VAL 392 Cb -0.06 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 2a3l s VAL 392 CO -0.16 -0.32 0.10 -1.00 0.00 0.00 0.00 175.10 173.72 2a3l s HIS 393 N -0.96 3.12 0.09 5.22 3.76 -0.73 0.04 115.29 125.83 2a3l s HIS 393 Ca -0.10 -0.31 -0.31 0.00 -0.15 0.00 0.00 55.06 54.19 2a3l s HIS 393 Cb -0.07 -2.27 -0.08 0.00 1.11 0.00 0.00 32.58 31.27 2a3l s HIS 393 CO -0.01 -0.32 1.58 -1.58 -0.85 0.00 0.00 174.74 173.57 2a3l s HIS 394 N 1.65 2.68 0.00 1.40 2.46 0.14 -2.01 115.29 121.61 2a3l s HIS 394 Ca 0.06 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.09 2a3l s HIS 394 Cb -0.15 -3.90 0.00 0.00 -0.13 0.00 0.00 32.58 28.40 2a3l s HIS 394 CO 0.05 -3.49 0.00 -1.13 -2.47 0.00 0.00 174.74 167.71 2a3l n SER 395 N 5.08 0.00 -0.00 9.88 3.41 -1.26 -4.79 113.62 125.93 2a3l n SER 395 Ca 0.15 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.89 2a3l n SER 395 Cb 0.41 0.00 0.52 0.00 -0.26 0.00 0.00 64.21 64.87 2a3l n SER 395 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3l n ALA 396 N 0.00 2.70 -2.05 7.33 0.00 -0.85 -4.53 120.51 123.10 2a3l n ALA 396 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 2a3l n ALA 396 Cb 0.00 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.07 2a3l n ALA 396 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2a3l s MET 398 N 4.35 0.01 -0.07 0.00 0.23 -1.26 -4.98 119.30 117.58 2a3l s MET 398 Ca 0.54 -0.00 -0.07 0.00 -1.03 0.00 0.00 55.69 55.14 2a3l s MET 398 Cb 0.08 0.01 -0.04 0.00 -1.53 0.00 0.00 34.83 33.34 2a3l s MET 398 CO 0.04 -0.00 0.19 1.21 -2.03 0.00 0.00 175.02 174.42 2a3l s ASN 399 N -1.39 6.43 0.11 -1.18 2.47 -1.26 -2.82 114.94 117.29 2a3l s ASN 399 Ca 0.11 0.50 -0.34 0.00 0.42 0.00 0.00 52.86 53.55 2a3l s ASN 399 Cb -0.01 -2.07 -0.14 0.00 -1.45 0.00 0.00 41.25 37.58 2a3l s ASN 399 CO -0.06 0.35 1.54 0.06 -3.72 0.00 0.00 177.10 175.27 2a3l h GLN 400 N 4.60 -0.65 -0.87 0.43 3.07 -1.88 -0.54 115.11 119.26 2a3l h GLN 400 Ca -0.53 0.04 0.35 0.00 0.09 0.00 0.00 58.65 58.60 2a3l h GLN 400 Cb 1.22 0.15 -0.14 0.00 0.08 0.00 0.00 27.48 28.79 2a3l h GLN 400 CO 0.62 -0.43 0.50 1.17 0.09 0.00 0.00 178.83 180.77 2a3l n LYS 401 N -5.39 -0.04 0.00 0.06 4.81 -1.26 0.12 118.16 116.46 2a3l n LYS 401 Ca -0.07 1.08 0.00 0.00 -0.87 0.00 0.00 58.31 58.44 2a3l n LYS 401 Cb 0.39 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.46 2a3l n LYS 401 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2a3l n HIS 402 N -4.67 0.00 -0.34 5.64 -0.00 -0.48 -2.22 115.22 113.15 2a3l n HIS 402 Ca 0.31 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.45 2a3l n HIS 402 Cb 1.09 -0.49 -0.00 0.00 -0.12 0.00 0.00 29.99 30.46 2a3l n HIS 402 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2a3l n LEU 403 N -1.98 -0.66 0.00 0.27 7.94 0.63 0.11 117.00 123.30 2a3l n LEU 403 Ca 0.00 1.50 0.00 0.00 -1.11 0.00 0.00 56.01 56.40 2a3l n LEU 403 Cb 0.00 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.65 2a3l n LEU 403 CO 0.00 -1.31 0.43 0.18 -1.11 0.00 0.00 177.39 175.58 2a3l n LEU 404 N -5.20 0.00 -0.24 -1.96 4.77 0.32 -1.32 117.00 113.38 2a3l n LEU 404 Ca 0.07 0.86 0.30 0.00 -0.03 0.00 0.00 56.01 57.21 2a3l n LEU 404 Cb 0.31 -0.36 0.53 0.00 -2.33 0.00 0.00 43.42 41.56 2a3l n LEU 404 CO -0.12 -0.36 1.28 -0.09 -1.33 0.00 0.00 177.39 176.77 2a3l h ARG 405 N 0.00 0.00 0.40 3.23 2.43 -0.56 1.10 114.38 120.98 2a3l h ARG 405 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2a3l h ARG 405 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2a3l h ARG 405 CO 0.00 0.00 -0.19 0.35 -1.51 0.00 0.00 179.97 178.62 2a3l h PHE 406 N 0.00 -0.50 0.22 2.20 3.57 0.10 -2.35 116.94 120.18 2a3l h PHE 406 Ca 0.51 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.99 2a3l h PHE 406 Cb 2.79 0.17 0.00 0.00 2.79 0.00 0.00 35.95 41.70 2a3l h PHE 406 CO 0.00 -0.20 -0.11 0.82 -2.23 0.00 0.00 178.31 176.58 2a3l h ILE 407 N -0.75 0.00 -0.61 1.41 2.04 0.19 -0.55 117.51 119.24 2a3l h ILE 407 Ca -0.06 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.93 2a3l h ILE 407 Cb 0.52 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.48 2a3l h ILE 407 CO 0.09 0.00 -0.14 1.17 0.00 0.00 0.00 178.15 179.27 2a3l n LYS 408 N -2.86 -0.05 0.16 2.37 0.00 -0.15 -1.27 118.16 116.36 2a3l n LYS 408 Ca -0.04 0.95 -0.07 0.00 0.00 0.00 0.00 58.31 59.15 2a3l n LYS 408 Cb 0.12 -1.42 -0.03 0.00 0.00 0.00 0.00 35.03 33.70 2a3l n LYS 408 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.40 178.17 2a3l h SER 409 N 0.00 -0.36 0.00 3.14 0.02 -1.22 -3.07 113.55 112.06 2a3l h SER 409 Ca 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2a3l h SER 409 Cb 0.46 0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.09 2a3l h SER 409 CO -0.62 -0.19 0.00 1.17 -1.14 0.00 0.00 176.83 176.05 2a3l n LYS 410 N -3.53 0.00 -0.03 3.45 3.00 -0.23 -0.11 118.16 120.70 2a3l n LYS 410 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.23 2a3l n LYS 410 Cb 0.17 -1.19 -0.01 0.00 0.00 0.00 0.00 35.03 34.00 2a3l n LYS 410 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2a3l n LEU 411 N -0.50 0.75 0.00 3.14 -0.00 -0.98 -4.23 117.00 115.17 2a3l n LEU 411 Ca 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 2a3l n LEU 411 Cb 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 43.42 42.81 2a3l n LEU 411 CO 0.00 -0.43 0.49 -1.14 -0.00 0.00 0.00 177.39 176.31 2a3l n ARG 412 N -3.25 0.00 0.00 1.96 0.63 0.84 -0.90 116.66 115.94 2a3l n ARG 412 Ca -0.05 0.90 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 2a3l n ARG 412 Cb 0.18 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.62 2a3l n ARG 412 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2a3l n LYS 413 N -2.76 0.55 0.00 -0.14 5.02 -0.66 -3.88 118.16 116.28 2a3l n LYS 413 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2a3l n LYS 413 Cb 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2a3l n LYS 413 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2a3l n GLU 414 N 0.62 0.00 0.00 1.97 2.13 -0.79 -4.95 120.64 119.62 2a3l n GLU 414 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2a3l n GLU 414 Cb 0.24 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.95 2a3l n GLU 414 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2a3l n PRO 415 N 0.00 0.00 -0.17 5.31 -0.02 -0.08 -3.81 135.00 136.23 2a3l n PRO 415 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2a3l n PRO 415 Cb 0.00 -0.40 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 2a3l n PRO 415 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2a3l n ASP 416 N 0.00 0.00 -4.08 2.55 8.00 -1.26 -2.86 116.55 118.89 2a3l n ASP 416 Ca 0.00 -0.43 -0.32 0.00 0.71 0.00 0.00 54.79 54.75 2a3l n ASP 416 Cb 0.00 -0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 40.91 2a3l n ASP 416 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2a3l s GLU 417 N 0.92 2.55 0.36 -1.24 2.56 -1.25 -4.88 118.70 117.71 2a3l s GLU 417 Ca 0.00 -1.07 -0.25 0.00 0.00 0.00 0.00 54.97 53.65 2a3l s GLU 417 Cb 0.00 -2.70 -0.14 0.00 2.00 0.00 0.00 34.13 33.29 2a3l s GLU 417 CO 0.00 -0.40 0.65 1.33 -0.56 0.00 0.00 175.26 176.28 2a3l n VAL 418 N 4.54 1.84 0.03 3.70 0.24 -1.26 -3.32 118.33 124.10 2a3l n VAL 418 Ca -0.17 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.63 2a3l n VAL 418 Cb 0.46 -0.57 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 2a3l n VAL 418 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 2a3l n VAL 419 N -0.47 0.01 -4.10 3.34 0.31 -0.96 -4.92 118.33 111.55 2a3l n VAL 419 Ca 0.12 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.37 2a3l n VAL 419 Cb 0.36 -0.56 -0.10 0.00 -0.91 0.00 0.00 33.84 32.62 2a3l n VAL 419 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 2a3l s ILE 420 N -2.00 0.32 -0.42 2.52 1.10 -1.25 -4.12 121.20 117.36 2a3l s ILE 420 Ca 0.00 -1.76 0.03 0.00 -0.51 0.00 0.00 60.65 58.40 2a3l s ILE 420 Cb 0.00 -1.45 0.12 0.00 0.15 0.00 0.00 42.46 41.28 2a3l s ILE 420 CO 0.00 -0.93 0.18 0.12 -2.11 0.00 0.00 174.94 172.20 2a3l s PHE 421 N -3.64 2.67 0.31 3.50 5.36 -1.26 0.27 117.98 125.18 2a3l s PHE 421 Ca 0.06 -2.64 0.04 0.00 -0.96 0.00 0.00 56.93 53.43 2a3l s PHE 421 Cb 0.06 -2.35 -0.06 0.00 -0.34 0.00 0.00 43.02 40.33 2a3l s PHE 421 CO -0.08 -0.83 0.04 -0.98 -1.46 0.00 0.00 175.22 171.91 2a3l s ARG 422 N 0.52 1.61 -0.64 10.12 1.04 -1.17 -4.93 118.95 125.51 2a3l s ARG 422 Ca 0.15 -1.88 -0.06 0.00 -1.04 0.00 0.00 55.73 52.90 2a3l s ARG 422 Cb -0.22 -0.90 0.01 0.00 -2.04 0.00 0.00 34.95 31.80 2a3l s ARG 422 CO -0.06 -0.15 0.43 -0.40 -0.04 0.00 0.00 175.30 175.09 2a3l n ASP 423 N -0.65 -3.22 0.00 -2.89 5.68 -1.26 -3.47 116.55 110.74 2a3l n ASP 423 Ca -0.03 -0.74 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 2a3l n ASP 423 Cb 0.66 -1.11 0.00 0.00 -1.14 0.00 0.00 41.12 39.53 2a3l n ASP 423 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2a3l n GLY 424 N -1.41 2.16 3.68 6.12 0.00 -1.26 -4.97 105.19 109.51 2a3l n GLY 424 Ca -0.19 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.07 2a3l n GLY 424 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2a3l s THR 425 N 0.00 0.82 -0.03 2.61 -1.32 -1.23 -5.11 115.64 111.38 2a3l s THR 425 Ca 0.00 -2.00 -0.24 0.00 -1.21 0.00 0.00 61.69 58.24 2a3l s THR 425 Cb 0.00 -2.14 -0.04 0.00 -1.51 0.00 0.00 72.50 68.80 2a3l s THR 425 CO 0.00 0.00 0.72 -0.31 -2.21 0.00 0.00 174.62 172.82 2a3l s TYR 426 N -3.01 3.64 0.18 9.09 1.51 -1.26 -3.05 117.35 124.44 2a3l s TYR 426 Ca 0.10 1.32 0.05 0.00 -1.01 0.00 0.00 57.07 57.53 2a3l s TYR 426 Cb 0.01 -2.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 2a3l s TYR 426 CO 0.07 0.17 0.16 -0.51 -1.11 0.00 0.00 175.55 174.33 2a3l s LEU 427 N 0.45 3.86 0.00 -1.29 2.01 0.14 -4.96 118.68 118.90 2a3l s LEU 427 Ca 0.38 -0.12 0.00 0.00 0.01 0.00 0.00 54.13 54.40 2a3l s LEU 427 Cb -0.19 -2.46 0.00 0.00 0.01 0.00 0.00 46.19 43.56 2a3l s LEU 427 CO 0.20 0.05 0.00 0.35 1.01 0.00 0.00 176.35 177.95 2a3l n THR 428 N -0.52 0.00 -0.13 5.49 -2.24 -1.26 -2.27 114.28 113.36 2a3l n THR 428 Ca -0.08 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.43 2a3l n THR 428 Cb 0.55 -0.02 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 2a3l n THR 428 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2a3l n LEU 429 N 0.00 1.92 -0.35 3.22 7.94 -1.14 -3.70 117.00 124.90 2a3l n LEU 429 Ca 0.00 0.37 0.17 0.00 -1.11 0.00 0.00 56.01 55.43 2a3l n LEU 429 Cb 0.00 -0.87 0.37 0.00 0.53 0.00 0.00 43.42 43.45 2a3l n LEU 429 CO 0.00 0.47 1.17 -0.09 -1.11 0.00 0.00 177.39 177.82 2a3l h ARG 430 N -1.00 0.60 0.00 1.96 9.65 -1.90 -2.02 114.38 121.67 2a3l h ARG 430 Ca -0.58 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.26 2a3l h ARG 430 Cb 1.50 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 29.95 2a3l h ARG 430 CO -0.35 0.39 0.00 0.39 2.80 0.00 0.00 179.97 183.20 2a3l n GLU 431 N -4.87 0.00 -0.14 0.20 1.02 -1.26 -1.46 120.64 114.13 2a3l n GLU 431 Ca 0.26 0.13 -0.01 0.00 -0.02 0.00 0.00 57.16 57.52 2a3l n GLU 431 Cb 0.71 -1.08 0.01 0.00 -0.02 0.00 0.00 31.44 31.06 2a3l n GLU 431 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2a3l n VAL 432 N -0.79 -0.20 0.30 2.62 0.31 -1.00 0.70 118.33 120.27 2a3l n VAL 432 Ca 0.00 0.85 -0.15 0.00 -0.01 0.00 0.00 64.34 65.03 2a3l n VAL 432 Cb 0.00 -1.11 -0.07 0.00 -0.91 0.00 0.00 33.84 31.74 2a3l n VAL 432 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 2a3l h PHE 433 N 0.00 -1.02 0.00 3.52 -1.00 -1.25 0.01 116.94 117.21 2a3l h PHE 433 Ca 0.12 -0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.89 2a3l h PHE 433 Cb 0.21 0.37 0.00 0.00 3.61 0.00 0.00 35.95 40.14 2a3l h PHE 433 CO -0.32 -0.54 0.00 1.05 -1.61 0.00 0.00 178.31 176.89 2a3l h GLU 434 N -0.87 0.00 -0.24 1.51 4.11 0.46 0.49 114.58 120.04 2a3l h GLU 434 Ca -0.07 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.20 2a3l h GLU 434 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2a3l h GLU 434 CO 0.04 0.00 -0.51 1.03 0.07 0.00 0.00 179.01 179.64 2a3l h SER 435 N 0.00 0.73 0.47 3.06 0.87 0.16 -2.36 113.55 116.48 2a3l h SER 435 Ca 0.00 -0.38 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2a3l h SER 435 Cb 0.07 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 2a3l h SER 435 CO 0.00 1.11 -0.62 0.18 -0.53 0.00 0.00 176.83 176.97 2a3l n LEU 436 N -3.99 0.58 0.00 2.23 4.77 0.72 -4.99 117.00 116.33 2a3l n LEU 436 Ca -0.03 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2a3l n LEU 436 Cb 0.59 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2a3l n LEU 436 CO 0.48 0.11 0.00 -0.67 -1.33 0.00 0.00 177.39 175.98 2a3l n ASP 437 N -1.60 0.00 -2.82 -1.43 4.64 0.14 -4.84 116.55 110.63 2a3l n ASP 437 Ca 0.05 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.31 2a3l n ASP 437 Cb 0.35 0.00 -0.14 0.00 -1.04 0.00 0.00 41.12 40.29 2a3l n ASP 437 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2a3l n LEU 438 N 0.00 -0.85 -3.70 -2.67 4.77 -1.26 -4.43 117.00 108.86 2a3l n LEU 438 Ca 0.00 -0.31 -0.14 0.00 -0.03 0.00 0.00 56.01 55.53 2a3l n LEU 438 Cb 0.00 -0.35 -0.07 0.00 -2.33 0.00 0.00 43.42 40.67 2a3l n LEU 438 CO 0.00 -0.87 0.12 0.42 -1.33 0.00 0.00 177.39 175.73 2a3l s THR 439 N 0.38 0.05 0.00 -5.08 -4.23 -1.26 -4.77 115.64 100.74 2a3l s THR 439 Ca 0.83 -0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.92 2a3l s THR 439 Cb -0.55 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.50 2a3l s THR 439 CO 0.35 -0.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2a3l n GLY 440 N 0.95 1.04 0.00 3.99 0.00 -1.26 -4.23 105.19 105.68 2a3l n GLY 440 Ca -0.20 -1.01 0.03 0.00 0.00 0.00 0.00 46.02 44.84 2a3l n GLY 440 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2a3l n TYR 441 N 0.95 0.00 0.16 1.61 9.36 -1.26 -1.23 117.16 126.75 2a3l n TYR 441 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 2a3l n TYR 441 Cb 0.00 -0.48 -0.16 0.00 -0.63 0.00 0.00 39.34 38.07 2a3l n TYR 441 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 2a3l n ASP 442 N -1.48 0.23 -4.67 2.98 8.00 -1.26 -4.99 116.55 115.36 2a3l n ASP 442 Ca 0.02 -0.17 -0.40 0.00 0.71 0.00 0.00 54.79 54.96 2a3l n ASP 442 Cb 0.07 1.82 0.03 0.00 -0.02 0.00 0.00 41.12 43.03 2a3l n ASP 442 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2a3l n LEU 443 N -2.12 4.07 -3.51 0.64 7.94 -0.36 -4.93 117.00 118.72 2a3l n LEU 443 Ca -0.03 0.98 -0.17 0.00 -1.11 0.00 0.00 56.01 55.68 2a3l n LEU 443 Cb 0.52 -1.46 -0.06 0.00 0.53 0.00 0.00 43.42 42.95 2a3l n LEU 443 CO 0.45 -1.11 0.44 0.54 -1.11 0.00 0.00 177.39 176.60 2a3l s ASN 444 N -0.86 -0.65 0.29 1.96 6.03 -1.26 -4.97 114.94 115.48 2a3l s ASN 444 Ca 0.68 0.67 0.03 0.00 -1.03 0.00 0.00 52.86 53.21 2a3l s ASN 444 Cb -0.47 0.54 0.75 0.00 -3.03 0.00 0.00 41.25 39.04 2a3l s ASN 444 CO 0.52 -0.63 1.65 1.62 -2.03 0.00 0.00 177.10 178.24 2a3l h VAL 445 N 2.93 0.33 -2.81 3.54 3.04 -1.95 -3.34 116.25 117.99 2a3l h VAL 445 Ca -0.27 -0.08 -0.58 0.00 -1.01 0.00 0.00 66.70 64.76 2a3l h VAL 445 Cb 1.15 0.07 0.09 0.00 -2.01 0.00 0.00 31.29 30.59 2a3l h VAL 445 CO 0.39 0.04 0.62 -0.67 -1.01 0.00 0.00 177.57 176.94 2a3l n ASP 446 N -5.19 2.85 -0.04 3.17 4.64 -1.26 -3.67 116.55 117.05 2a3l n ASP 446 Ca 0.22 1.15 0.00 0.00 -1.38 0.00 0.00 54.79 54.79 2a3l n ASP 446 Cb 0.71 -1.45 0.00 0.00 -1.04 0.00 0.00 41.12 39.34 2a3l n ASP 446 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 2a3l n LEU 447 N 1.98 0.00 -3.40 -2.67 -0.00 -1.26 -4.57 117.00 107.08 2a3l n LEU 447 Ca 0.10 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 55.72 2a3l n LEU 447 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2a3l n LEU 447 CO 0.63 0.00 1.92 0.18 -0.00 0.00 0.00 177.39 180.12 2a3l n LEU 448 N 0.00 7.62 -3.25 -1.96 4.32 -1.24 -4.02 117.00 118.47 2a3l n LEU 448 Ca 0.00 -4.98 -0.20 0.00 -0.02 0.00 0.00 56.01 50.81 2a3l n LEU 448 Cb 0.00 -1.26 -0.07 0.00 -1.62 0.00 0.00 43.42 40.47 2a3l n LEU 448 CO 0.00 2.00 -0.19 1.51 -1.22 0.00 0.00 177.39 179.50 2a3l s ASP 449 N -0.33 0.80 -0.17 -1.43 1.47 -1.26 -4.89 116.67 110.85 2a3l s ASP 449 Ca 0.49 -2.41 0.16 0.00 1.18 0.00 0.00 52.55 51.97 2a3l s ASP 449 Cb 0.22 0.31 0.57 0.00 -0.34 0.00 0.00 42.92 43.69 2a3l s ASP 449 CO -0.14 -0.17 1.48 1.33 0.68 0.00 0.00 175.17 178.35 2a3l n VAL 450 N 3.22 2.27 0.00 2.11 0.24 -1.26 -4.88 118.33 120.04 2a3l n VAL 450 Ca 0.22 -1.71 0.00 0.00 -2.04 0.00 0.00 64.34 60.81 2a3l n VAL 450 Cb 0.48 -0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 2a3l n VAL 450 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 2a3l n HIS 451 N -0.17 0.00 0.25 6.34 8.25 -1.26 -4.14 115.22 124.49 2a3l n HIS 451 Ca 0.22 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.80 2a3l n HIS 451 Cb 0.92 0.00 0.67 0.00 1.12 0.00 0.00 29.99 32.69 2a3l n HIS 451 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2a3l h ALA 452 N 0.00 1.20 -3.90 -1.41 0.00 -1.87 -3.39 119.26 109.89 2a3l h ALA 452 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2a3l h ALA 452 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2a3l h ALA 452 CO 0.00 -0.20 -0.79 -3.47 0.00 0.00 0.00 179.25 174.78 2a3l n ASP 453 N -2.53 -7.89 0.00 0.00 -0.08 -1.26 -4.93 116.55 99.86 2a3l n ASP 453 Ca -0.02 1.25 0.00 0.00 -1.51 0.00 0.00 54.79 54.52 2a3l n ASP 453 Cb 0.28 -4.39 0.00 0.00 2.34 0.00 0.00 41.12 39.34 2a3l n ASP 453 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2a3l n LYS 454 N 1.56 0.00 0.00 -0.67 4.81 -1.26 -4.91 118.16 117.69 2a3l n LYS 454 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2a3l n LYS 454 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2a3l n LYS 454 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2a3l n SER 455 N 0.00 1.88 -4.31 3.14 3.41 -1.26 -5.08 113.62 111.40 2a3l n SER 455 Ca 0.00 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.14 2a3l n SER 455 Cb 0.00 0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 2a3l n SER 455 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2a3l n THR 456 N -0.66 1.86 -3.09 6.66 5.66 -1.26 -4.84 114.28 118.60 2a3l n THR 456 Ca 0.00 -0.49 -0.42 0.00 -3.05 0.00 0.00 64.05 60.09 2a3l n THR 456 Cb 0.04 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.75 2a3l n THR 456 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 175.07 172.14 2a3l s PHE 457 N -1.03 3.17 -0.06 1.09 2.19 -1.26 -5.03 117.98 117.05 2a3l s PHE 457 Ca 0.62 0.47 -0.05 0.00 0.33 0.00 0.00 56.93 58.31 2a3l s PHE 457 Cb -0.89 -3.11 0.02 0.00 -1.31 0.00 0.00 43.02 37.74 2a3l s PHE 457 CO 0.55 -0.58 0.16 -3.38 1.83 0.00 0.00 175.22 173.81 2a3l s HIS 458 N 2.71 -0.19 0.03 10.12 -3.43 -1.26 -5.12 115.29 118.15 2a3l s HIS 458 Ca 0.26 0.47 -0.26 0.00 -0.80 0.00 0.00 55.06 54.72 2a3l s HIS 458 Cb -0.14 0.04 -0.05 0.00 -1.43 0.00 0.00 32.58 30.99 2a3l s HIS 458 CO 0.14 -0.11 0.80 -0.98 -2.00 0.00 0.00 174.74 172.58 2a3l s ARG 459 N 0.36 4.51 -0.55 -0.38 3.03 -1.26 -4.98 118.95 119.67 2a3l s ARG 459 Ca -0.02 1.11 0.07 0.00 2.03 0.00 0.00 55.73 58.92 2a3l s ARG 459 Cb -0.04 -3.39 0.30 0.00 -1.03 0.00 0.00 34.95 30.79 2a3l s ARG 459 CO -0.01 0.20 0.79 1.97 -1.13 0.00 0.00 175.30 177.12 2a3l n PHE 460 N 3.09 2.84 0.00 5.89 -0.00 -1.26 -4.78 117.46 123.23 2a3l n PHE 460 Ca -0.01 -3.98 0.00 0.00 -0.00 0.00 0.00 57.45 53.46 2a3l n PHE 460 Cb 0.50 -0.49 0.00 0.00 -0.00 0.00 0.00 39.48 39.49 2a3l n PHE 460 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2a3l n ASP 461 N 0.45 0.00 0.00 5.98 5.75 -1.26 -4.89 116.55 122.57 2a3l n ASP 461 Ca 0.29 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.07 2a3l n ASP 461 Cb 0.45 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 2a3l n ASP 461 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2a3l n LYS 462 N 0.00 0.00 -0.13 0.11 0.00 -1.26 -4.75 118.16 112.12 2a3l n LYS 462 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.19 2a3l n LYS 462 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 34.94 2a3l n LYS 462 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2a3l h PHE 463 N 0.00 1.10 -0.26 5.64 0.04 -1.99 -2.71 116.94 118.77 2a3l h PHE 463 Ca 0.00 -0.29 -0.15 0.00 2.80 0.00 0.00 57.97 60.33 2a3l h PHE 463 Cb 0.00 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 37.89 2a3l h PHE 463 CO 0.00 1.11 -0.46 -0.91 -0.60 0.00 0.00 178.31 177.45 2a3l h ASN 464 N 0.80 0.73 0.01 2.17 -0.26 -1.90 1.38 115.58 118.50 2a3l h ASN 464 Ca 0.09 -0.35 0.00 0.00 -0.56 0.00 0.00 56.30 55.48 2a3l h ASN 464 Cb 0.86 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.91 2a3l h ASN 464 CO 0.08 1.08 0.00 0.18 -1.06 0.00 0.00 177.43 177.71 2a3l n LEU 465 N -4.01 0.00 0.00 1.61 4.77 -1.03 -2.28 117.00 116.06 2a3l n LEU 465 Ca -0.03 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.46 2a3l n LEU 465 Cb 0.56 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2a3l n LEU 465 CO 0.47 -0.50 -0.10 1.17 -1.33 0.00 0.00 177.39 177.11 2a3l n LYS 466 N -1.50 0.61 0.06 3.23 0.00 -0.98 -4.90 118.16 114.68 2a3l n LYS 466 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 2a3l n LYS 466 Cb 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 35.03 34.30 2a3l n LYS 466 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.40 179.28 2a3l h TYR 467 N 0.00 0.29 -3.34 5.64 0.99 0.18 -3.45 116.97 117.29 2a3l h TYR 467 Ca 0.00 -0.21 -0.57 0.00 2.00 0.00 0.00 58.73 59.94 2a3l h TYR 467 Cb 0.20 -0.01 -0.06 0.00 1.00 0.00 0.00 36.73 37.85 2a3l h TYR 467 CO 0.00 1.22 0.28 1.21 -0.00 0.00 0.00 178.16 180.87 2a3l s ASN 468 N -6.84 6.97 0.17 3.88 3.04 -0.97 -4.81 114.94 116.38 2a3l s ASN 468 Ca -0.05 1.18 -0.04 0.00 0.04 0.00 0.00 52.86 53.98 2a3l s ASN 468 Cb 0.08 -2.44 0.03 0.00 -1.54 0.00 0.00 41.25 37.38 2a3l s ASN 468 CO 0.85 -0.30 1.43 1.55 -3.04 0.00 0.00 177.10 177.59 2a3l h PRO 469 N 7.16 0.54 0.00 0.43 0.13 -1.87 -3.46 132.00 134.93 2a3l h PRO 469 Ca -0.33 -0.40 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 2a3l h PRO 469 Cb 1.16 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2a3l h PRO 469 CO 0.80 1.02 0.00 0.00 -0.23 0.00 0.00 178.00 179.60 2a3l n GLY 471 N 5.00 -0.49 3.87 0.00 0.00 -1.26 -4.85 105.19 107.46 2a3l n GLY 471 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2a3l n GLY 471 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2a3l s GLN 472 N -5.22 3.77 1.17 1.61 2.00 -1.26 -4.98 119.66 116.76 2a3l s GLN 472 Ca 0.08 0.20 -0.18 0.00 -2.00 0.00 0.00 55.36 53.46 2a3l s GLN 472 Cb -0.04 -2.80 0.28 0.00 0.80 0.00 0.00 33.01 31.25 2a3l s GLN 472 CO 0.10 0.42 0.63 0.45 -0.50 0.00 0.00 175.29 176.39 2a3l n SER 473 N 0.24 -3.58 -0.06 6.67 2.88 -1.26 -4.42 113.62 114.09 2a3l n SER 473 Ca -0.03 -0.64 -0.04 0.00 -1.33 0.00 0.00 58.87 56.84 2a3l n SER 473 Cb 0.52 -0.82 -0.01 0.00 -0.75 0.00 0.00 64.21 63.15 2a3l n SER 473 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2a3l h ARG 474 N 0.00 0.00 -0.56 -1.46 2.47 -1.92 -3.08 114.38 109.83 2a3l h ARG 474 Ca -0.29 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.48 2a3l h ARG 474 Cb 0.97 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.26 2a3l h ARG 474 CO 0.17 0.00 0.37 -0.07 0.56 0.00 0.00 179.97 181.00 2a3l h LEU 475 N -0.83 0.51 -1.10 3.04 -0.00 -1.94 -0.84 115.31 114.15 2a3l h LEU 475 Ca 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2a3l h LEU 475 Cb 0.41 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.93 2a3l h LEU 475 CO 0.00 0.34 0.31 -0.09 -0.00 0.00 0.00 178.44 179.00 2a3l h ARG 476 N 0.59 0.95 -0.05 1.13 2.43 -1.92 0.39 114.38 117.88 2a3l h ARG 476 Ca 0.23 -0.13 -0.14 0.00 -0.81 0.00 0.00 59.98 59.13 2a3l h ARG 476 Cb 0.19 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2a3l h ARG 476 CO -0.06 0.74 -0.61 1.49 -1.51 0.00 0.00 179.97 180.01 2a3l h GLU 477 N 0.94 0.19 0.13 0.20 4.81 -1.09 -0.50 114.58 119.25 2a3l h GLU 477 Ca 0.23 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 2a3l h GLU 477 Cb 0.11 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2a3l h GLU 477 CO -0.03 0.74 -0.06 0.82 -0.73 0.00 0.00 179.01 179.75 2a3l h ILE 478 N 0.14 0.00 0.00 2.32 2.04 -0.64 -3.37 117.51 117.99 2a3l h ILE 478 Ca -0.01 -0.70 -0.05 0.00 1.00 0.00 0.00 64.86 65.11 2a3l h ILE 478 Cb 1.11 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2a3l h ILE 478 CO 0.09 0.00 -0.81 -0.26 0.00 0.00 0.00 178.15 177.17 2a3l h PHE 479 N -0.87 0.00 -0.07 1.37 0.04 -0.36 -3.40 116.94 113.66 2a3l h PHE 479 Ca -0.02 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2a3l h PHE 479 Cb 0.13 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.23 2a3l h PHE 479 CO 0.01 0.18 -0.54 1.28 -0.60 0.00 0.00 178.31 178.64 2a3l n LEU 480 N -2.88 2.89 -3.96 1.54 4.77 -0.20 -4.03 117.00 115.12 2a3l n LEU 480 Ca -0.01 -3.96 -0.10 0.00 -0.03 0.00 0.00 56.01 51.92 2a3l n LEU 480 Cb 0.63 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 2a3l n LEU 480 CO 0.39 1.46 -0.03 -0.75 -1.33 0.00 0.00 177.39 177.14 2a3l s LYS 481 N -3.22 1.15 -0.09 3.23 2.36 -1.18 -4.92 119.74 117.06 2a3l s LYS 481 Ca 0.39 -1.18 0.04 0.00 -2.55 0.00 0.00 55.97 52.67 2a3l s LYS 481 Cb 0.37 0.37 -0.08 0.00 -1.05 0.00 0.00 37.83 37.45 2a3l s LYS 481 CO -0.06 -0.42 -0.03 0.00 1.55 0.00 0.00 175.35 176.39 2a3l n GLN 482 N -0.21 1.47 -1.01 4.03 -0.00 -1.26 -4.44 117.38 115.95 2a3l n GLN 482 Ca -0.07 0.03 -0.13 0.00 -0.00 0.00 0.00 57.00 56.82 2a3l n GLN 482 Cb 0.63 -1.20 -0.12 0.00 -0.00 0.00 0.00 30.24 29.55 2a3l n GLN 482 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2a3l n ASP 483 N -2.55 5.53 -0.16 2.61 2.03 -1.26 -3.95 116.55 118.80 2a3l n ASP 483 Ca -0.16 -2.62 0.00 0.00 0.52 0.00 0.00 54.79 52.53 2a3l n ASP 483 Cb 0.73 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 2a3l n ASP 483 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2a3l n ASN 484 N 1.98 1.27 0.08 1.67 2.04 -1.26 -5.06 115.26 115.98 2a3l n ASN 484 Ca 0.37 -0.08 -0.04 0.00 -0.44 0.00 0.00 54.58 54.40 2a3l n ASN 484 Cb 0.78 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 38.01 2a3l n ASN 484 CO 0.00 0.00 0.00 0.25 -0.44 0.00 0.00 177.26 177.07 2a3l h LEU 485 N 0.00 -0.21 -3.24 -4.53 5.85 -1.86 -3.26 115.31 108.05 2a3l h LEU 485 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2a3l h LEU 485 Cb 0.00 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2a3l h LEU 485 CO 0.00 0.01 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 2a3l n ILE 486 N -3.58 1.21 0.00 4.05 0.13 -1.26 -4.76 119.36 115.16 2a3l n ILE 486 Ca -0.03 -0.29 0.00 0.00 -1.10 0.00 0.00 62.75 61.33 2a3l n ILE 486 Cb 0.10 -1.27 0.00 0.00 -0.84 0.00 0.00 39.64 37.63 2a3l n ILE 486 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2a3l n GLN 487 N 1.59 0.00 0.00 9.51 6.02 -1.23 -1.16 117.38 132.11 2a3l n GLN 487 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2a3l n GLN 487 Cb 0.32 -2.09 0.00 0.00 1.02 0.00 0.00 30.24 29.49 2a3l n GLN 487 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2a3l n GLY 488 N -0.33 0.52 0.19 1.08 0.00 -1.25 -4.57 105.19 100.81 2a3l n GLY 488 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 2a3l n GLY 488 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2a3l n ARG 489 N 0.00 0.01 -0.10 1.61 0.63 -0.31 0.47 116.66 118.97 2a3l n ARG 489 Ca 0.00 0.46 -0.14 0.00 -0.92 0.00 0.00 57.85 57.25 2a3l n ARG 489 Cb 0.00 -1.22 -0.09 0.00 0.45 0.00 0.00 32.46 31.60 2a3l n ARG 489 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2a3l n PHE 490 N -1.67 0.00 0.35 -0.14 3.72 -1.26 -3.49 117.46 114.97 2a3l n PHE 490 Ca 0.03 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.29 2a3l n PHE 490 Cb 0.55 -0.75 -0.07 0.00 -0.94 0.00 0.00 39.48 38.28 2a3l n PHE 490 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2a3l h LEU 491 N -0.07 -0.79 0.00 4.37 7.12 -0.12 -2.06 115.31 123.77 2a3l h LEU 491 Ca -0.44 0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.59 2a3l h LEU 491 Cb 1.65 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.99 2a3l h LEU 491 CO -0.09 -0.42 0.00 0.61 -0.13 0.00 0.00 178.44 178.41 2a3l n GLY 492 N -0.65 -3.07 0.27 3.75 0.00 -0.60 0.43 105.19 105.32 2a3l n GLY 492 Ca -0.12 0.50 0.23 0.00 0.00 0.00 0.00 46.02 46.64 2a3l n GLY 492 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2a3l n GLU 493 N -2.59 -0.02 0.00 1.61 2.13 -1.22 0.24 120.64 120.79 2a3l n GLU 493 Ca 0.00 0.74 -0.17 0.00 0.66 0.00 0.00 57.16 58.39 2a3l n GLU 493 Cb 0.00 -1.45 -0.12 0.00 0.27 0.00 0.00 31.44 30.14 2a3l n GLU 493 CO 0.00 0.00 0.00 0.97 -0.41 0.00 0.00 177.13 177.69 2a3l h ILE 494 N 0.00 1.48 -0.39 6.31 -0.00 0.73 -3.29 117.51 122.36 2a3l h ILE 494 Ca 0.52 -2.15 0.06 0.00 -0.00 0.00 0.00 64.86 63.29 2a3l h ILE 494 Cb 1.65 2.78 -0.09 0.00 -0.00 0.00 0.00 36.82 41.16 2a3l h ILE 494 CO -0.28 0.61 -0.46 0.74 -0.00 0.00 0.00 178.15 178.76 2a3l h THR 495 N -0.27 0.08 -0.42 2.19 2.02 0.53 -2.12 112.91 114.91 2a3l h THR 495 Ca -0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.14 2a3l h THR 495 Cb 1.30 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 2a3l h THR 495 CO 0.11 0.00 -0.25 1.17 0.37 0.00 0.00 175.52 176.92 2a3l n LYS 496 N -5.41 -0.19 0.00 6.66 3.00 -0.92 0.29 118.16 121.59 2a3l n LYS 496 Ca -0.02 1.14 0.02 0.00 -0.00 0.00 0.00 58.31 59.45 2a3l n LYS 496 Cb 0.35 -1.69 0.10 0.00 0.00 0.00 0.00 35.03 33.80 2a3l n LYS 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2a3l n GLN 497 N -3.95 0.07 -0.06 1.64 10.64 -0.85 -0.16 117.38 124.71 2a3l n GLN 497 Ca 0.01 0.19 -0.04 0.00 -1.83 0.00 0.00 57.00 55.33 2a3l n GLN 497 Cb 0.11 -1.50 -0.03 0.00 -0.86 0.00 0.00 30.24 27.96 2a3l n GLN 497 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2a3l h VAL 498 N 0.00 0.27 -0.26 -0.39 2.07 0.50 -3.24 116.25 115.20 2a3l h VAL 498 Ca 0.00 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.34 2a3l h VAL 498 Cb 0.03 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.26 2a3l h VAL 498 CO 0.00 0.09 -0.46 -0.26 0.02 0.00 0.00 177.57 176.96 2a3l h PHE 499 N -1.00 -1.34 -0.70 1.57 0.05 0.22 0.11 116.94 115.85 2a3l h PHE 499 Ca -0.02 0.06 0.13 0.00 3.82 0.00 0.00 57.97 61.96 2a3l h PHE 499 Cb 0.33 0.62 -0.13 0.00 2.00 0.00 0.00 35.95 38.77 2a3l h PHE 499 CO -0.02 -0.48 -0.28 0.66 -0.18 0.00 0.00 178.31 178.02 2a3l h SER 500 N -0.44 -1.00 0.71 2.17 4.64 -1.15 0.96 113.55 119.45 2a3l h SER 500 Ca 0.09 0.23 -0.02 0.00 -0.47 0.00 0.00 61.79 61.63 2a3l h SER 500 Cb 0.62 0.55 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2a3l h SER 500 CO -0.49 -0.28 -0.09 0.44 -0.87 0.00 0.00 176.83 175.54 2a3l h ASP 501 N -0.08 0.00 0.17 4.97 3.45 -1.37 -0.69 116.42 122.87 2a3l h ASP 501 Ca 0.30 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.75 2a3l h ASP 501 Cb 0.56 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.33 2a3l h ASP 501 CO -0.75 0.09 -0.08 0.25 -1.57 0.00 0.00 179.24 177.18 2a3l h LEU 502 N 0.00 -0.19 -0.00 1.55 5.85 0.29 -2.70 115.31 120.11 2a3l h LEU 502 Ca -0.00 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.38 2a3l h LEU 502 Cb 0.47 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2a3l h LEU 502 CO 0.01 0.35 0.00 -0.62 -0.34 0.00 0.00 178.44 177.84 2a3l n GLU 503 N -4.93 0.00 0.00 1.25 1.02 0.27 -2.89 120.64 115.36 2a3l n GLU 503 Ca -0.08 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.51 2a3l n GLU 503 Cb 0.26 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 2a3l n GLU 503 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2a3l n ALA 504 N -1.50 -0.24 0.04 0.62 0.00 -0.29 -3.28 120.51 115.85 2a3l n ALA 504 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2a3l n ALA 504 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2a3l n ALA 504 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2a3l n SER 505 N -1.88 0.00 0.00 0.00 7.64 -1.14 -4.79 113.62 113.44 2a3l n SER 505 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2a3l n SER 505 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2a3l n SER 505 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2a3l n LYS 506 N -0.59 0.00 0.02 1.43 4.81 -1.21 -4.23 118.16 118.39 2a3l n LYS 506 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.56 2a3l n LYS 506 Cb 0.00 -0.21 0.11 0.00 0.02 0.00 0.00 35.03 34.95 2a3l n LYS 506 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2a3l n TYR 507 N 0.00 0.17 -3.30 5.64 4.01 -1.26 -4.87 117.16 117.55 2a3l n TYR 507 Ca 0.00 0.05 -0.40 0.00 -0.16 0.00 0.00 57.90 57.39 2a3l n TYR 507 Cb 0.00 -0.34 -0.08 0.00 -0.31 0.00 0.00 39.34 38.61 2a3l n TYR 507 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2a3l s GLN 508 N -3.10 3.96 0.53 -0.72 1.11 -1.26 -1.84 119.66 118.35 2a3l s GLN 508 Ca 0.07 0.11 0.08 0.00 0.01 0.00 0.00 55.36 55.64 2a3l s GLN 508 Cb 0.16 -3.68 0.09 0.00 -1.01 0.00 0.00 33.01 28.56 2a3l s GLN 508 CO 0.76 -0.38 0.74 -1.33 0.01 0.00 0.00 175.29 175.09 2a3l n MET 509 N 5.49 0.61 -3.69 2.91 2.81 -0.44 -4.86 117.12 119.95 2a3l n MET 509 Ca -0.06 -2.82 -0.10 0.00 -1.81 0.00 0.00 57.70 52.91 2a3l n MET 509 Cb 0.50 -0.24 -0.10 0.00 -0.71 0.00 0.00 33.22 32.67 2a3l n MET 509 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2a3l s ALA 510 N -2.65 -1.22 -0.83 3.04 0.00 -0.22 -2.52 121.76 117.36 2a3l s ALA 510 Ca 0.55 1.68 0.01 0.00 0.00 0.00 0.00 51.96 54.21 2a3l s ALA 510 Cb -0.04 -1.01 0.31 0.00 0.00 0.00 0.00 23.12 22.38 2a3l s ALA 510 CO 0.35 -0.28 1.28 0.39 0.00 0.00 0.00 175.76 177.50 2a3l n GLU 511 N 4.14 4.02 -1.63 0.00 1.02 -0.86 -2.27 120.64 125.06 2a3l n GLU 511 Ca -0.22 -4.70 -0.52 0.00 -0.02 0.00 0.00 57.16 51.70 2a3l n GLU 511 Cb 0.56 -2.37 -0.06 0.00 -0.02 0.00 0.00 31.44 29.55 2a3l n GLU 511 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2a3l n TYR 512 N 0.38 1.80 -3.14 -0.32 0.53 -1.19 -4.01 117.16 111.21 2a3l n TYR 512 Ca 0.34 0.51 -0.39 0.00 -1.02 0.00 0.00 57.90 57.35 2a3l n TYR 512 Cb 0.34 -2.41 -0.05 0.00 -1.03 0.00 0.00 39.34 36.19 2a3l n TYR 512 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 2a3l s ARG 513 N 1.38 4.39 -0.03 -0.72 3.00 0.11 -2.13 118.95 124.95 2a3l s ARG 513 Ca 0.87 0.77 0.04 0.00 0.00 0.00 0.00 55.73 57.40 2a3l s ARG 513 Cb -0.91 -3.41 -0.01 0.00 0.00 0.00 0.00 34.95 30.62 2a3l s ARG 513 CO 0.49 0.18 -0.14 0.42 0.00 0.00 0.00 175.30 176.25 2a3l s ILE 514 N 0.44 1.17 0.36 1.52 1.01 0.02 -0.68 121.20 125.04 2a3l s ILE 514 Ca 0.33 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 2a3l s ILE 514 Cb -0.17 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.27 2a3l s ILE 514 CO 0.17 0.34 0.58 -0.94 0.00 0.00 0.00 174.94 175.08 2a3l s SER 515 N -0.09 6.30 -0.28 3.58 1.04 -1.26 -0.07 113.70 122.92 2a3l s SER 515 Ca 0.01 0.52 0.00 0.00 0.48 0.00 0.00 55.95 56.96 2a3l s SER 515 Cb -0.08 -2.06 0.17 0.00 0.10 0.00 0.00 66.02 64.15 2a3l s SER 515 CO 0.01 -0.33 0.51 -0.63 0.98 0.00 0.00 173.24 173.78 2a3l s ILE 516 N -2.36 -0.83 -0.09 -1.02 1.01 -0.51 -4.85 121.20 112.56 2a3l s ILE 516 Ca 0.41 -0.07 0.16 0.00 0.00 0.00 0.00 60.65 61.15 2a3l s ILE 516 Cb -0.10 -0.95 0.09 0.00 0.01 0.00 0.00 42.46 41.52 2a3l s ILE 516 CO 0.37 -0.08 1.52 1.88 0.00 0.00 0.00 174.94 178.63 2a3l h TYR 517 N 8.08 0.00 -2.05 3.97 -1.99 -1.92 -3.37 116.97 119.68 2a3l h TYR 517 Ca -0.15 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.46 2a3l h TYR 517 Cb 1.16 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.92 2a3l h TYR 517 CO 0.17 0.45 -0.19 0.41 -0.00 0.00 0.00 178.16 179.00 2a3l n GLY 518 N 0.99 0.43 0.13 3.88 0.00 -1.26 -4.86 105.19 104.49 2a3l n GLY 518 Ca 0.02 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.39 2a3l n GLY 518 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2a3l n ARG 519 N -1.76 0.62 -5.09 1.61 1.85 -1.26 -4.26 116.66 108.37 2a3l n ARG 519 Ca -0.01 0.16 -0.32 0.00 -1.00 0.00 0.00 57.85 56.67 2a3l n ARG 519 Cb 0.53 -1.50 -0.16 0.00 -1.05 0.00 0.00 32.46 30.28 2a3l n ARG 519 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2a3l s LYS 520 N -2.50 3.06 0.54 2.89 1.02 -1.26 -4.94 119.74 118.54 2a3l s LYS 520 Ca -0.34 -0.82 0.27 0.00 0.02 0.00 0.00 55.97 55.09 2a3l s LYS 520 Cb 0.09 -2.38 1.43 0.00 -0.52 0.00 0.00 37.83 36.46 2a3l s LYS 520 CO 0.57 0.23 1.96 1.98 -0.92 0.00 0.00 175.35 179.17 2a3l h MET 521 N 6.58 0.00 0.38 1.68 4.05 -1.93 -2.46 114.93 123.23 2a3l h MET 521 Ca -0.23 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.17 2a3l h MET 521 Cb 1.22 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.03 2a3l h MET 521 CO 0.49 0.00 -0.18 0.77 0.23 0.00 0.00 176.91 178.22 2a3l h SER 522 N 0.00 -0.43 0.00 1.39 0.02 -1.94 -3.34 113.55 109.25 2a3l h SER 522 Ca 0.30 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2a3l h SER 522 Cb 1.21 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2a3l h SER 522 CO -0.00 -0.30 0.00 -0.62 -1.14 0.00 0.00 176.83 174.76 2a3l n GLU 523 N -5.31 0.00 0.00 3.45 1.02 -0.93 -0.57 120.64 118.31 2a3l n GLU 523 Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 2a3l n GLU 523 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.64 2a3l n GLU 523 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 2a3l n TRP 524 N -3.32 0.00 -0.23 -0.32 5.03 -1.25 0.77 117.44 118.12 2a3l n TRP 524 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 2a3l n TRP 524 Cb 0.00 -0.07 0.08 0.00 -1.03 0.00 0.00 31.31 30.29 2a3l n TRP 524 CO 0.00 0.00 0.00 0.22 -0.03 0.00 0.00 177.69 177.88 2a3l h ASP 525 N 0.00 -0.60 -0.84 -0.99 1.82 -1.26 0.27 116.42 114.82 2a3l h ASP 525 Ca 0.00 0.20 0.21 0.00 -0.39 0.00 0.00 57.03 57.06 2a3l h ASP 525 Cb 0.00 0.41 -0.14 0.00 0.68 0.00 0.00 39.33 40.28 2a3l h ASP 525 CO 0.00 -0.22 0.19 -0.61 -1.61 0.00 0.00 179.24 177.00 2a3l h GLN 526 N 0.01 0.20 -0.01 0.28 5.75 -0.79 0.37 115.11 120.92 2a3l h GLN 526 Ca 0.33 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.79 2a3l h GLN 526 Cb 0.51 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 29.02 2a3l h GLN 526 CO -0.69 0.13 -0.11 1.25 -2.65 0.00 0.00 178.83 176.76 2a3l h LEU 527 N 0.20 0.11 -0.83 -2.39 5.85 0.32 -3.20 115.31 115.38 2a3l h LEU 527 Ca 0.51 -0.74 0.12 0.00 0.84 0.00 0.00 57.88 58.61 2a3l h LEU 527 Cb 1.00 -0.03 -0.13 0.00 0.37 0.00 0.00 40.66 41.86 2a3l h LEU 527 CO -0.64 0.84 -0.44 0.00 -0.34 0.00 0.00 178.44 177.86 2a3l h ALA 528 N 0.28 -0.14 -0.07 1.25 0.00 0.12 1.23 119.26 121.94 2a3l h ALA 528 Ca -0.01 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.10 2a3l h ALA 528 Cb 0.85 1.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 2a3l h ALA 528 CO 0.02 -0.75 0.07 0.66 0.00 0.00 0.00 179.25 179.25 2a3l h SER 529 N -0.08 0.00 -0.44 0.00 4.64 -1.12 -0.03 113.55 116.52 2a3l h SER 529 Ca 0.25 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.50 2a3l h SER 529 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.62 2a3l h SER 529 CO -0.86 0.00 -0.01 -0.25 -0.87 0.00 0.00 176.83 174.84 2a3l h TRP 530 N 0.00 0.84 0.45 4.77 7.01 0.15 -2.24 115.95 126.93 2a3l h TRP 530 Ca 0.03 -0.15 -0.02 0.00 2.11 0.00 0.00 58.89 60.86 2a3l h TRP 530 Cb 0.17 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 27.01 2a3l h TRP 530 CO 0.00 0.83 -0.21 0.82 -2.79 0.00 0.00 178.44 177.09 2a3l h ILE 531 N 0.61 0.56 0.00 2.65 1.08 -0.45 -3.22 117.51 118.74 2a3l h ILE 531 Ca 0.12 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 64.56 2a3l h ILE 531 Cb 0.50 0.58 0.00 0.00 -3.07 0.00 0.00 36.82 34.83 2a3l h ILE 531 CO 0.02 0.01 0.00 0.52 -0.69 0.00 0.00 178.15 178.01 2a3l n VAL 532 N -5.34 0.00 0.00 1.67 0.31 -1.03 -1.30 118.33 112.64 2a3l n VAL 532 Ca -0.11 1.29 0.00 0.00 -0.01 0.00 0.00 64.34 65.51 2a3l n VAL 532 Cb 0.26 -2.24 0.00 0.00 -0.91 0.00 0.00 33.84 30.95 2a3l n VAL 532 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 2a3l n ASN 533 N -1.44 0.00 -0.06 4.52 3.02 -0.85 0.36 115.26 120.82 2a3l n ASN 533 Ca 0.00 0.06 0.01 0.00 -0.03 0.00 0.00 54.58 54.62 2a3l n ASN 533 Cb 0.00 -0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.11 2a3l n ASN 533 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2a3l n ASN 534 N -0.97 0.70 -3.58 6.41 4.13 -1.15 -5.03 115.26 115.76 2a3l n ASN 534 Ca 0.00 -0.85 -0.27 0.00 1.68 0.00 0.00 54.58 55.14 2a3l n ASN 534 Cb 0.33 0.48 0.05 0.00 -1.54 0.00 0.00 39.78 39.10 2a3l n ASN 534 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2a3l n ASP 535 N -0.42 -5.44 -4.36 6.41 -0.08 1.14 -4.92 116.55 108.87 2a3l n ASP 535 Ca 0.01 -0.94 -0.46 0.00 -1.51 0.00 0.00 54.79 51.89 2a3l n ASP 535 Cb 0.05 -3.84 -0.02 0.00 2.34 0.00 0.00 41.12 39.65 2a3l n ASP 535 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2a3l s LEU 536 N -6.23 6.28 -0.14 -2.67 1.43 -0.42 -4.98 118.68 111.95 2a3l s LEU 536 Ca 0.45 -2.71 -0.12 0.00 -1.03 0.00 0.00 54.13 50.72 2a3l s LEU 536 Cb -0.14 -2.26 0.04 0.00 0.03 0.00 0.00 46.19 43.86 2a3l s LEU 536 CO 0.83 -0.64 0.36 -0.47 0.23 0.00 0.00 176.35 176.66 2a3l s TYR 537 N 0.54 -0.40 0.03 0.29 6.14 -1.26 -4.88 117.35 117.81 2a3l s TYR 537 Ca 0.24 0.98 -0.12 0.00 0.64 0.00 0.00 57.07 58.80 2a3l s TYR 537 Cb -0.09 0.14 0.01 0.00 0.42 0.00 0.00 41.96 42.45 2a3l s TYR 537 CO -0.09 -0.20 0.27 0.45 0.64 0.00 0.00 175.55 176.62 2a3l s SER 538 N 0.26 -0.08 0.10 4.32 0.15 -1.26 -5.02 113.70 112.17 2a3l s SER 538 Ca -0.01 -0.21 -0.18 0.00 0.70 0.00 0.00 55.95 56.25 2a3l s SER 538 Cb -0.03 0.33 -0.06 0.00 -1.71 0.00 0.00 66.02 64.55 2a3l s SER 538 CO -0.00 -0.57 1.58 -0.08 1.20 0.00 0.00 173.24 175.36 2a3l h GLU 539 N 3.39 0.49 0.00 5.44 4.57 -2.01 -3.15 114.58 123.31 2a3l h GLU 539 Ca -0.32 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 2a3l h GLU 539 Cb 1.19 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.73 2a3l h GLU 539 CO 0.46 0.59 0.00 -0.91 -1.18 0.00 0.00 179.01 177.97 2a3l h ASN 540 N 0.31 0.00 -3.62 1.04 2.35 -1.95 -3.45 115.58 110.26 2a3l h ASN 540 Ca 0.09 0.00 -0.68 0.00 -0.55 0.00 0.00 56.30 55.16 2a3l h ASN 540 Cb 0.34 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.53 2a3l h ASN 540 CO 0.01 0.00 -0.70 -0.69 -1.65 0.00 0.00 177.43 174.40 2a3l s VAL 541 N -3.52 3.69 0.32 2.81 1.01 -1.19 -1.05 120.40 122.47 2a3l s VAL 541 Ca 0.03 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2a3l s VAL 541 Cb 0.08 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 2a3l s VAL 541 CO 0.55 0.47 0.21 0.68 0.00 0.00 0.00 175.10 177.02 2a3l s VAL 542 N -0.93 0.16 0.06 2.92 -7.23 -0.96 -4.52 120.40 109.89 2a3l s VAL 542 Ca 0.15 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.35 2a3l s VAL 542 Cb -0.11 -2.48 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2a3l s VAL 542 CO 0.05 0.00 -0.08 0.26 -0.31 0.00 0.00 175.10 175.02 2a3l s TRP 543 N -3.54 0.75 -0.05 2.82 0.52 -0.47 -3.20 118.94 115.78 2a3l s TRP 543 Ca 0.37 -0.59 0.04 0.00 0.02 0.00 0.00 56.10 55.94 2a3l s TRP 543 Cb 0.04 -0.44 0.00 0.00 -1.15 0.00 0.00 33.47 31.91 2a3l s TRP 543 CO 0.21 -0.09 -0.15 -0.51 0.02 0.00 0.00 176.95 176.44 2a3l s LEU 544 N -1.91 1.85 -0.10 2.99 1.02 -0.91 0.79 118.68 122.41 2a3l s LEU 544 Ca -0.05 -0.32 -0.22 0.00 0.02 0.00 0.00 54.13 53.56 2a3l s LEU 544 Cb -0.07 -0.89 -0.04 0.00 0.02 0.00 0.00 46.19 45.22 2a3l s LEU 544 CO -0.01 0.12 0.65 -0.63 0.02 0.00 0.00 176.35 176.50 2a3l s ILE 545 N 0.19 5.07 -0.21 -0.59 1.09 -0.44 -0.80 121.20 125.51 2a3l s ILE 545 Ca -0.06 1.31 -0.03 0.00 -1.10 0.00 0.00 60.65 60.77 2a3l s ILE 545 Cb -0.12 -3.98 -0.00 0.00 -1.06 0.00 0.00 42.46 37.29 2a3l s ILE 545 CO 0.02 0.24 -0.08 0.00 -0.10 0.00 0.00 174.94 175.03 2a3l s GLN 546 N 0.95 3.29 -0.27 2.79 -2.07 0.91 0.93 119.66 126.18 2a3l s GLN 546 Ca 0.34 -0.67 -0.06 0.00 -1.82 0.00 0.00 55.36 53.14 2a3l s GLN 546 Cb -0.17 -2.91 -0.00 0.00 -1.09 0.00 0.00 33.01 28.84 2a3l s GLN 546 CO 0.15 -0.20 0.05 -1.17 -1.32 0.00 0.00 175.29 172.80 2a3l s LEU 547 N 1.44 3.55 0.05 2.60 1.98 -0.72 -1.42 118.68 126.14 2a3l s LEU 547 Ca 0.06 -0.53 -0.30 0.00 -2.89 0.00 0.00 54.13 50.46 2a3l s LEU 547 Cb -0.14 -1.86 -0.05 0.00 0.66 0.00 0.00 46.19 44.80 2a3l s LEU 547 CO -0.06 -0.12 1.18 -2.84 -1.89 0.00 0.00 176.35 172.62 2a3l s PRO 548 N 1.52 4.44 -1.16 0.98 0.02 -1.26 -1.39 135.00 138.14 2a3l s PRO 548 Ca 0.04 1.73 -0.19 0.00 0.02 0.00 0.00 61.00 62.59 2a3l s PRO 548 Cb -0.16 -3.37 -0.04 0.00 0.02 0.00 0.00 34.50 30.94 2a3l s PRO 548 CO 0.01 -0.25 1.95 0.54 -0.33 0.00 0.00 177.00 178.93 2a3l n ARG 549 N 4.02 2.25 -0.18 5.54 3.00 -0.35 -4.59 116.66 126.35 2a3l n ARG 549 Ca 0.09 -2.52 0.09 0.00 -0.01 0.00 0.00 57.85 55.50 2a3l n ARG 549 Cb 0.47 -3.35 0.16 0.00 0.00 0.00 0.00 32.46 29.74 2a3l n ARG 549 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2a3l n LEU 550 N 9.11 2.53 -0.33 0.55 4.77 -1.26 -4.84 117.00 127.52 2a3l n LEU 550 Ca 0.49 -3.21 0.05 0.00 -0.03 0.00 0.00 56.01 53.31 2a3l n LEU 550 Cb 0.43 -0.45 0.14 0.00 -2.33 0.00 0.00 43.42 41.20 2a3l n LEU 550 CO 0.85 0.81 0.68 0.22 -1.33 0.00 0.00 177.39 178.63 2a3l h TYR 551 N 0.27 -0.46 -0.56 -1.77 3.20 -1.95 0.35 116.97 116.05 2a3l h TYR 551 Ca 0.00 0.08 0.16 0.00 3.14 0.00 0.00 58.73 62.12 2a3l h TYR 551 Cb 1.04 0.35 -0.02 0.00 1.54 0.00 0.00 36.73 39.64 2a3l h TYR 551 CO 0.15 -0.40 0.55 -2.95 -1.64 0.00 0.00 178.16 173.87 2a3l h ASN 552 N 0.00 0.00 0.02 -2.11 -1.07 -1.85 0.24 115.58 110.81 2a3l h ASN 552 Ca 0.46 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 56.79 2a3l h ASN 552 Cb 0.72 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.97 2a3l h ASN 552 CO -0.95 0.00 -0.19 0.40 0.07 0.00 0.00 177.43 176.76 2a3l h ILE 553 N 0.00 1.71 0.00 6.14 2.04 -0.68 -3.20 117.51 123.52 2a3l h ILE 553 Ca 0.26 -2.37 0.00 0.00 1.00 0.00 0.00 64.86 63.76 2a3l h ILE 553 Cb 1.36 3.30 0.00 0.00 -0.74 0.00 0.00 36.82 40.74 2a3l h ILE 553 CO -0.00 0.61 0.00 -1.22 0.00 0.00 0.00 178.15 177.54 2a3l n TYR 554 N -4.53 0.00 -0.05 1.37 0.53 0.62 -1.43 117.16 113.66 2a3l n TYR 554 Ca -0.12 0.00 0.03 0.00 -1.02 0.00 0.00 57.90 56.79 2a3l n TYR 554 Cb 0.54 0.00 0.08 0.00 -1.03 0.00 0.00 39.34 38.93 2a3l n TYR 554 CO 0.00 0.00 0.00 1.17 -1.02 0.00 0.00 176.86 177.01 2a3l n LYS 555 N -0.95 2.53 -0.09 -0.72 0.00 0.09 -3.03 118.16 116.00 2a3l n LYS 555 Ca 0.05 -1.69 -0.17 0.00 0.00 0.00 0.00 58.31 56.50 2a3l n LYS 555 Cb 0.02 -1.15 -0.06 0.00 0.00 0.00 0.00 35.03 33.84 2a3l n LYS 555 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2a3l n ASP 556 N 0.11 1.52 0.00 3.14 2.03 -0.51 -4.29 116.55 118.54 2a3l n ASP 556 Ca 0.06 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2a3l n ASP 556 Cb 0.32 -0.46 0.02 0.00 -0.72 0.00 0.00 41.12 40.29 2a3l n ASP 556 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2a3l n MET 557 N -3.61 0.08 -0.15 -0.67 2.81 -0.76 -4.77 117.12 110.04 2a3l n MET 557 Ca -0.33 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.56 2a3l n MET 557 Cb 0.75 -1.14 0.00 0.00 -0.71 0.00 0.00 33.22 32.13 2a3l n MET 557 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2a3l n GLY 558 N -0.54 0.00 0.00 3.03 0.00 -1.26 -4.74 105.19 101.69 2a3l n GLY 558 Ca 0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2a3l n GLY 558 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2a3l n ILE 559 N -1.07 0.00 -3.62 -0.61 3.06 -1.25 -4.64 119.36 111.23 2a3l n ILE 559 Ca 0.00 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.09 2a3l n ILE 559 Cb 0.00 -0.68 -0.07 0.00 0.54 0.00 0.00 39.64 39.43 2a3l n ILE 559 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 2a3l s VAL 560 N -2.00 0.03 -0.02 9.51 0.11 -1.17 -4.95 120.40 121.90 2a3l s VAL 560 Ca 0.15 -0.22 0.04 0.00 -2.93 0.00 0.00 61.98 59.02 2a3l s VAL 560 Cb 0.07 -0.85 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 2a3l s VAL 560 CO 0.12 -0.12 0.05 0.35 -3.33 0.00 0.00 175.10 172.16 2a3l n THR 561 N 0.98 0.15 -3.68 5.04 -2.24 -1.26 -4.66 114.28 108.60 2a3l n THR 561 Ca -0.20 -0.13 -0.14 0.00 -2.27 0.00 0.00 64.05 61.31 2a3l n THR 561 Cb 0.57 -0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.40 2a3l n THR 561 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2a3l s SER 562 N -3.03 -0.54 0.18 3.42 1.04 -1.26 -4.65 113.70 108.85 2a3l s SER 562 Ca -0.02 0.95 0.03 0.00 0.48 0.00 0.00 55.95 57.39 2a3l s SER 562 Cb 0.02 0.96 0.48 0.00 0.10 0.00 0.00 66.02 67.58 2a3l s SER 562 CO 0.16 -0.26 0.85 0.33 0.98 0.00 0.00 173.24 175.30 2a3l n PHE 563 N 2.41 0.40 -0.34 5.02 -0.00 -0.86 -0.24 117.46 123.86 2a3l n PHE 563 Ca -0.15 0.65 0.05 0.00 -0.00 0.00 0.00 57.45 58.00 2a3l n PHE 563 Cb 0.56 -0.94 0.12 0.00 -0.00 0.00 0.00 39.48 39.22 2a3l n PHE 563 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 2a3l n GLN 564 N -4.58 -0.11 -0.47 -4.13 -0.06 -0.30 -0.78 117.38 106.94 2a3l n GLN 564 Ca 0.14 1.46 0.40 0.00 -2.00 0.00 0.00 57.00 57.00 2a3l n GLN 564 Cb 0.47 -2.17 0.71 0.00 -4.06 0.00 0.00 30.24 25.19 2a3l n GLN 564 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2a3l h ASN 565 N 0.00 0.14 0.08 1.69 2.35 -0.93 0.27 115.58 119.18 2a3l h ASN 565 Ca 0.43 0.06 -0.22 0.00 -0.55 0.00 0.00 56.30 56.02 2a3l h ASN 565 Cb 0.66 0.05 0.02 0.00 0.05 0.00 0.00 38.32 39.10 2a3l h ASN 565 CO -0.96 -0.05 -0.90 0.40 -1.65 0.00 0.00 177.43 174.27 2a3l h ILE 566 N 0.07 1.40 -0.28 2.81 2.04 -1.14 -0.91 117.51 121.50 2a3l h ILE 566 Ca 0.76 -2.34 -0.00 0.00 1.00 0.00 0.00 64.86 64.28 2a3l h ILE 566 Cb 2.72 2.80 -0.01 0.00 -0.74 0.00 0.00 36.82 41.58 2a3l h ILE 566 CO -0.19 0.69 0.17 -0.07 0.00 0.00 0.00 178.15 178.76 2a3l h LEU 567 N -0.04 0.33 -0.61 1.44 3.38 -0.57 0.28 115.31 119.52 2a3l h LEU 567 Ca -0.14 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 2a3l h LEU 567 Cb 1.63 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 2a3l h LEU 567 CO 0.17 0.25 -0.49 0.44 0.09 0.00 0.00 178.44 178.91 2a3l h ASP 568 N 0.39 0.57 0.64 -0.43 3.32 -1.02 0.50 116.42 120.39 2a3l h ASP 568 Ca 0.10 -0.28 0.00 0.00 0.02 0.00 0.00 57.03 56.87 2a3l h ASP 568 Cb -0.02 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.37 2a3l h ASP 568 CO -0.02 0.96 0.00 0.59 -1.72 0.00 0.00 179.24 179.05 2a3l n ASN 569 N -3.98 0.00 0.00 6.45 4.13 0.05 -3.85 115.26 118.06 2a3l n ASN 569 Ca -0.02 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.28 2a3l n ASN 569 Cb 0.56 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.46 2a3l n ASN 569 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2a3l n ILE 570 N -1.34 0.00 -1.27 2.41 -5.35 -1.01 -4.64 119.36 108.16 2a3l n ILE 570 Ca 0.12 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.33 2a3l n ILE 570 Cb 0.25 -0.66 0.15 0.00 -1.74 0.00 0.00 39.64 37.65 2a3l n ILE 570 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2a3l n PHE 571 N -1.49 3.07 0.00 4.28 3.01 0.16 -4.21 117.46 122.29 2a3l n PHE 571 Ca 0.00 -2.17 0.00 0.00 1.01 0.00 0.00 57.45 56.29 2a3l n PHE 571 Cb 0.33 -1.07 0.00 0.00 -0.01 0.00 0.00 39.48 38.73 2a3l n PHE 571 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2a3l n ILE 572 N -1.09 0.00 0.34 4.37 5.41 -1.25 -4.72 119.36 122.42 2a3l n ILE 572 Ca 0.60 0.00 0.19 0.00 1.00 0.00 0.00 62.75 64.55 2a3l n ILE 572 Cb 1.39 -0.13 1.04 0.00 -0.71 0.00 0.00 39.64 41.23 2a3l n ILE 572 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2a3l h PRO 573 N 0.00 0.00 -5.64 0.38 0.11 -1.77 -0.79 132.00 124.30 2a3l h PRO 573 Ca 0.00 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 65.44 2a3l h PRO 573 Cb 0.00 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 30.79 2a3l h PRO 573 CO 0.00 0.00 -0.88 -0.48 -0.21 0.00 0.00 178.00 176.43 2a3l s LEU 574 N -5.97 2.05 0.00 2.35 0.05 -1.26 -3.37 118.68 112.53 2a3l s LEU 574 Ca -0.04 -0.51 0.00 0.00 0.05 0.00 0.00 54.13 53.63 2a3l s LEU 574 Cb 0.11 -1.33 0.00 0.00 -2.05 0.00 0.00 46.19 42.92 2a3l s LEU 574 CO 0.35 0.20 0.00 0.33 -0.55 0.00 0.00 176.35 176.67 2a3l n PHE 575 N 3.21 0.00 0.01 3.48 7.35 -1.22 -4.59 117.46 125.70 2a3l n PHE 575 Ca -0.18 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.39 2a3l n PHE 575 Cb 0.52 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.28 2a3l n PHE 575 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 2a3l h GLU 576 N 0.00 0.06 0.00 -4.13 4.81 -1.32 0.15 114.58 114.16 2a3l h GLU 576 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2a3l h GLU 576 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2a3l h GLU 576 CO 0.00 0.17 0.00 0.00 -0.73 0.00 0.00 179.01 178.45 2a3l h ALA 577 N 0.89 1.00 0.08 2.92 0.00 -1.76 -1.99 119.26 120.41 2a3l h ALA 577 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.65 2a3l h ALA 577 Cb 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2a3l h ALA 577 CO -0.00 0.00 -1.46 1.79 0.00 0.00 0.00 179.25 179.58 2a3l h THR 578 N 0.00 0.92 0.30 0.00 1.35 -1.38 -3.15 112.91 110.94 2a3l h THR 578 Ca 0.00 -2.32 -0.01 0.00 -0.55 0.00 0.00 66.41 63.53 2a3l h THR 578 Cb 0.27 2.53 0.00 0.00 -1.73 0.00 0.00 68.15 69.23 2a3l h THR 578 CO 0.00 0.63 -0.14 0.58 -0.25 0.00 0.00 175.52 176.34 2a3l h VAL 579 N -0.45 0.00 -3.69 6.82 2.07 -0.68 -3.36 116.25 116.96 2a3l h VAL 579 Ca -0.34 -0.02 -0.75 0.00 0.82 0.00 0.00 66.70 66.41 2a3l h VAL 579 Cb 1.66 0.00 -0.30 0.00 -1.52 0.00 0.00 31.29 31.13 2a3l h VAL 579 CO -0.02 0.00 -0.05 -0.62 0.02 0.00 0.00 177.57 176.90 2a3l s ASP 580 N -2.69 6.21 0.19 0.57 -1.08 -0.76 -4.65 116.67 114.46 2a3l s ASP 580 Ca -0.06 -2.88 -0.19 0.00 -0.52 0.00 0.00 52.55 48.90 2a3l s ASP 580 Cb 0.01 -2.07 0.15 0.00 -1.46 0.00 0.00 42.92 39.55 2a3l s ASP 580 CO 0.17 -0.46 1.40 -2.65 0.52 0.00 0.00 175.17 174.16 2a3l n PRO 581 N 3.60 -0.26 0.00 4.34 -0.02 -1.19 0.06 135.00 141.54 2a3l n PRO 581 Ca 0.13 1.39 0.04 0.00 -2.02 0.00 0.00 63.50 63.04 2a3l n PRO 581 Cb 0.43 -2.05 0.20 0.00 -0.02 0.00 0.00 33.50 32.05 2a3l n PRO 581 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2a3l n ASP 582 N -5.28 0.00 0.18 2.55 10.43 -1.26 -1.42 116.55 121.75 2a3l n ASP 582 Ca 0.07 0.35 0.12 0.00 2.57 0.00 0.00 54.79 57.90 2a3l n ASP 582 Cb 0.33 -0.40 0.22 0.00 1.84 0.00 0.00 41.12 43.11 2a3l n ASP 582 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 2a3l h SER 583 N 0.00 0.00 -1.42 -2.24 4.64 -0.69 -3.32 113.55 110.52 2a3l h SER 583 Ca 0.00 -0.01 -0.41 0.00 -0.47 0.00 0.00 61.79 60.91 2a3l h SER 583 Cb 0.12 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 61.83 2a3l h SER 583 CO 0.00 0.00 -1.12 1.41 -0.87 0.00 0.00 176.83 176.25 2a3l n HIS 584 N -2.84 0.25 -0.12 4.77 8.25 -0.50 -4.99 115.22 120.04 2a3l n HIS 584 Ca 0.04 -3.25 -0.11 0.00 -0.26 0.00 0.00 57.72 54.15 2a3l n HIS 584 Cb 0.50 -0.20 0.10 0.00 1.12 0.00 0.00 29.99 31.52 2a3l n HIS 584 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2a3l n PRO 585 N 0.12 -2.46 -0.84 -0.41 -0.04 -0.90 -3.13 135.00 127.34 2a3l n PRO 585 Ca 0.17 -0.51 -0.01 0.00 -0.04 0.00 0.00 63.50 63.11 2a3l n PRO 585 Cb 0.73 -0.73 -0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2a3l n PRO 585 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2a3l n GLN 586 N -2.89 -1.16 -0.00 0.54 -0.00 -1.26 -3.71 117.38 108.90 2a3l n GLN 586 Ca 0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.05 2a3l n GLN 586 Cb 0.21 -0.44 -0.00 0.00 -0.00 0.00 0.00 30.24 30.01 2a3l n GLN 586 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2a3l n LEU 587 N -0.32 2.81 0.48 2.61 -0.00 -1.18 -3.84 117.00 117.56 2a3l n LEU 587 Ca 0.00 -0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 2a3l n LEU 587 Cb 0.05 -0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.38 2a3l n LEU 587 CO 0.01 0.47 0.51 0.45 -0.00 0.00 0.00 177.39 178.83 2a3l h HIS 588 N -0.00 -1.14 0.00 1.96 3.86 -1.62 0.16 115.15 118.36 2a3l h HIS 588 Ca -0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2a3l h HIS 588 Cb 1.00 0.38 0.00 0.00 1.06 0.00 0.00 27.41 29.85 2a3l h HIS 588 CO 0.00 -0.71 0.49 -0.39 0.86 0.00 0.00 177.93 178.18 2a3l h VAL 589 N -1.28 0.00 0.00 2.45 -1.51 -1.87 0.74 116.25 114.78 2a3l h VAL 589 Ca -0.13 0.00 -0.02 0.00 -1.23 0.00 0.00 66.70 65.33 2a3l h VAL 589 Cb 0.94 0.31 -0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2a3l h VAL 589 CO 0.21 0.00 -0.39 0.15 -1.23 0.00 0.00 177.57 176.31 2a3l h PHE 590 N 0.00 0.00 0.00 5.19 -0.00 -1.31 -3.37 116.94 117.46 2a3l h PHE 590 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2a3l h PHE 590 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.92 2a3l h PHE 590 CO 0.00 0.15 0.29 1.28 -0.00 0.00 0.00 178.31 180.03 2a3l n LEU 591 N -4.65 0.30 -0.50 0.59 4.77 0.39 0.92 117.00 118.81 2a3l n LEU 591 Ca -0.07 0.52 0.04 0.00 -0.03 0.00 0.00 56.01 56.47 2a3l n LEU 591 Cb 0.22 -0.48 0.11 0.00 -2.33 0.00 0.00 43.42 40.94 2a3l n LEU 591 CO 0.09 -0.63 0.58 2.29 -1.33 0.00 0.00 177.39 178.39 2a3l n LYS 592 N -1.96 1.63 0.00 3.23 2.85 -0.90 -2.58 118.16 120.43 2a3l n LYS 592 Ca -0.01 -0.88 0.00 0.00 -1.05 0.00 0.00 58.31 56.37 2a3l n LYS 592 Cb 0.30 -1.25 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 2a3l n LYS 592 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 2a3l n GLN 593 N 0.21 3.08 -3.00 -1.58 -0.06 0.26 -5.01 117.38 111.27 2a3l n GLN 593 Ca 0.08 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.73 2a3l n GLN 593 Cb 0.24 -0.34 -0.06 0.00 -4.06 0.00 0.00 30.24 26.02 2a3l n GLN 593 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 2a3l s VAL 594 N -0.53 4.49 0.00 1.69 1.01 -0.99 -1.37 120.40 124.70 2a3l s VAL 594 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2a3l s VAL 594 Cb 0.00 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.57 2a3l s VAL 594 CO 0.00 0.05 0.00 1.33 0.00 0.00 0.00 175.10 176.48 2a3l n VAL 595 N 0.31 0.00 -3.56 2.92 0.24 0.24 -4.83 118.33 113.65 2a3l n VAL 595 Ca 0.01 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.34 62.16 2a3l n VAL 595 Cb 0.52 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 2a3l n VAL 595 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2a3l s GLY 596 N -1.03 -0.32 -0.40 7.63 0.00 -1.22 -1.68 107.32 110.30 2a3l s GLY 596 Ca 0.00 1.62 -0.11 0.00 0.00 0.00 0.00 44.72 46.23 2a3l s GLY 596 CO 0.00 0.68 0.24 -0.12 0.00 0.00 0.00 173.10 173.89 2a3l s PHE 597 N -2.11 3.27 -0.22 1.90 2.19 0.26 -1.33 117.98 121.94 2a3l s PHE 597 Ca 0.04 -1.09 -0.08 0.00 0.33 0.00 0.00 56.93 56.13 2a3l s PHE 597 Cb -0.01 -2.63 -0.04 0.00 -1.31 0.00 0.00 43.02 39.04 2a3l s PHE 597 CO -0.04 -0.71 0.09 0.34 1.83 0.00 0.00 175.22 176.73 2a3l s ASP 598 N 1.78 5.64 -0.00 6.13 -1.08 0.26 -2.29 116.67 127.11 2a3l s ASP 598 Ca 0.02 0.01 0.04 0.00 -0.52 0.00 0.00 52.55 52.10 2a3l s ASP 598 Cb -0.21 -2.00 -0.03 0.00 -1.46 0.00 0.00 42.92 39.23 2a3l s ASP 598 CO 0.06 0.08 -0.10 -1.48 0.52 0.00 0.00 175.17 174.25 2a3l s LEU 599 N 0.92 2.98 0.00 -1.34 2.34 -1.26 -1.76 118.68 120.56 2a3l s LEU 599 Ca 0.05 -0.21 0.00 0.00 0.06 0.00 0.00 54.13 54.03 2a3l s LEU 599 Cb -0.14 -1.71 0.00 0.00 -0.56 0.00 0.00 46.19 43.79 2a3l s LEU 599 CO 0.03 0.29 0.00 1.33 -1.06 0.00 0.00 176.35 176.94 2a3l n VAL 600 N 1.70 0.00 0.00 1.48 0.24 -0.49 -3.17 118.33 118.09 2a3l n VAL 600 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 2a3l n VAL 600 Cb 0.52 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.89 2a3l n VAL 600 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2a3l n ASP 601 N -2.08 0.00 -4.38 -1.34 4.64 -1.26 -1.22 116.55 110.92 2a3l n ASP 601 Ca 0.00 0.00 -0.52 0.00 -1.38 0.00 0.00 54.79 52.89 2a3l n ASP 601 Cb 0.00 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 39.98 2a3l n ASP 601 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 2a3l n ASP 602 N 0.00 1.23 0.29 1.67 -0.08 -1.26 -4.78 116.55 113.62 2a3l n ASP 602 Ca 0.00 0.43 0.14 0.00 -1.51 0.00 0.00 54.79 53.85 2a3l n ASP 602 Cb 0.00 -1.07 0.88 0.00 2.34 0.00 0.00 41.12 43.27 2a3l n ASP 602 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2a3l h GLU 603 N 11.30 0.00 0.00 -0.67 5.08 -1.95 -3.00 114.58 125.33 2a3l h GLU 603 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2a3l h GLU 603 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 2a3l h GLU 603 CO 1.12 0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 178.01 2a3l n SER 604 N -3.89 0.46 -4.65 1.42 3.41 -1.26 -3.88 113.62 105.22 2a3l n SER 604 Ca -0.03 0.55 -0.44 0.00 -0.26 0.00 0.00 58.87 58.69 2a3l n SER 604 Cb 0.10 -0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 63.36 2a3l n SER 604 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2a3l n LYS 605 N -1.93 1.83 -1.00 4.33 5.02 -1.14 -4.81 118.16 120.46 2a3l n LYS 605 Ca 0.06 0.65 -0.31 0.00 -2.02 0.00 0.00 58.31 56.69 2a3l n LYS 605 Cb 0.38 -2.18 0.14 0.00 -0.02 0.00 0.00 35.03 33.35 2a3l n LYS 605 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 2a3l s PRO 606 N -1.35 1.45 -0.13 1.97 0.02 -1.26 -5.00 135.00 130.71 2a3l s PRO 606 Ca 0.60 1.24 -0.30 0.00 0.02 0.00 0.00 61.00 62.57 2a3l s PRO 606 Cb -0.64 -1.80 0.10 0.00 0.02 0.00 0.00 34.50 32.18 2a3l s PRO 606 CO 0.58 -2.23 0.85 -1.83 -0.33 0.00 0.00 177.00 174.04 2a3l s GLU 607 N -4.79 0.80 -0.59 5.54 -1.05 -1.26 -5.10 118.70 112.24 2a3l s GLU 607 Ca 0.64 0.28 -0.26 0.00 -0.15 0.00 0.00 54.97 55.48 2a3l s GLU 607 Cb -0.20 0.38 0.04 0.00 -0.44 0.00 0.00 34.13 33.91 2a3l s GLU 607 CO 0.57 -0.23 1.08 1.03 0.95 0.00 0.00 175.26 178.67 2a3l s ARG 608 N -0.96 3.37 -0.29 -4.83 3.00 -1.26 -4.97 118.95 113.01 2a3l s ARG 608 Ca -0.05 -0.10 -0.28 0.00 0.00 0.00 0.00 55.73 55.29 2a3l s ARG 608 Cb -0.01 -4.07 -0.03 0.00 0.00 0.00 0.00 34.95 30.84 2a3l s ARG 608 CO 0.05 -1.67 2.01 0.50 0.00 0.00 0.00 175.30 176.19 2a3l s ARG 609 N 4.57 3.17 0.10 3.54 3.52 -1.26 -4.72 118.95 127.87 2a3l s ARG 609 Ca 0.35 1.67 -0.14 0.00 -0.13 0.00 0.00 55.73 57.49 2a3l s ARG 609 Cb -0.10 -4.30 -0.08 0.00 -1.56 0.00 0.00 34.95 28.91 2a3l s ARG 609 CO 0.20 -2.05 0.25 -0.35 -0.81 0.00 0.00 175.30 172.54 2a3l n PRO 610 N 8.62 0.00 0.00 5.12 -0.04 -1.26 -5.03 135.00 142.41 2a3l n PRO 610 Ca 0.26 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2a3l n PRO 610 Cb 0.46 -0.49 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 2a3l n PRO 610 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2a3l n THR 611 N -0.02 0.00 -0.10 0.52 5.66 -1.26 -5.08 114.28 114.00 2a3l n THR 611 Ca 0.09 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.93 2a3l n THR 611 Cb 0.12 -0.72 -0.06 0.00 -1.55 0.00 0.00 70.33 68.13 2a3l n THR 611 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 2a3l n LYS 612 N 0.00 0.54 -2.15 1.09 0.00 -1.26 -4.64 118.16 111.74 2a3l n LYS 612 Ca 0.00 0.31 -0.32 0.00 -0.00 0.00 0.00 58.31 58.29 2a3l n LYS 612 Cb 0.00 -1.52 -0.04 0.00 -0.00 0.00 0.00 35.03 33.47 2a3l n LYS 612 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.40 174.02 2a3l s HIS 613 N -2.64 1.90 -0.16 5.58 -3.43 -1.26 -4.72 115.29 110.56 2a3l s HIS 613 Ca -0.30 0.42 -0.00 0.00 -0.80 0.00 0.00 55.06 54.38 2a3l s HIS 613 Cb 0.07 -4.18 -0.00 0.00 -1.43 0.00 0.00 32.58 27.03 2a3l s HIS 613 CO 0.43 -1.93 -0.14 1.41 -2.00 0.00 0.00 174.74 172.51 2a3l s MET 614 N 6.65 3.23 -0.11 -0.38 1.75 -1.26 -5.09 119.30 124.09 2a3l s MET 614 Ca 0.64 -0.74 -0.38 0.00 -1.25 0.00 0.00 55.69 53.96 2a3l s MET 614 Cb -0.07 -2.66 -0.18 0.00 2.84 0.00 0.00 34.83 34.75 2a3l s MET 614 CO 0.04 -0.01 1.10 -2.30 -0.65 0.00 0.00 175.02 173.20 2a3l n PRO 615 N 4.14 0.00 -0.55 4.11 -0.02 -1.26 -4.92 135.00 136.51 2a3l n PRO 615 Ca -0.19 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 60.99 2a3l n PRO 615 Cb 0.52 -1.38 0.23 0.00 -0.02 0.00 0.00 33.50 32.84 2a3l n PRO 615 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2a3l n THR 616 N 1.93 0.00 0.27 3.45 -2.24 -1.26 -4.78 114.28 111.64 2a3l n THR 616 Ca 0.21 -0.38 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 2a3l n THR 616 Cb 0.04 -0.87 0.74 0.00 -2.10 0.00 0.00 70.33 68.14 2a3l n THR 616 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2a3l h PRO 617 N -2.46 0.00 -0.48 -0.78 0.13 -1.91 -2.58 132.00 123.92 2a3l h PRO 617 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 2a3l h PRO 617 Cb 1.34 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2a3l h PRO 617 CO 0.45 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.31 2a3l n ALA 618 N -2.34 3.20 0.27 -0.56 0.00 -1.26 -1.15 120.51 118.66 2a3l n ALA 618 Ca -0.02 -1.87 0.03 0.00 0.00 0.00 0.00 53.44 51.58 2a3l n ALA 618 Cb 0.19 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 2a3l n ALA 618 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2a3l n GLN 619 N 0.42 4.69 -2.86 0.00 6.02 -0.99 -4.84 117.38 119.82 2a3l n GLN 619 Ca 0.24 -0.07 -0.43 0.00 -0.01 0.00 0.00 57.00 56.72 2a3l n GLN 619 Cb 0.94 -0.80 -0.02 0.00 1.02 0.00 0.00 30.24 31.38 2a3l n GLN 619 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2a3l s TRP 620 N -1.46 3.09 -0.02 1.08 -0.11 -1.14 -4.59 118.94 115.79 2a3l s TRP 620 Ca 0.03 -1.46 0.06 0.00 1.22 0.00 0.00 56.10 55.95 2a3l s TRP 620 Cb 0.04 -4.37 -0.10 0.00 -1.50 0.00 0.00 33.47 27.55 2a3l s TRP 620 CO 0.22 -1.55 0.11 0.25 -4.62 0.00 0.00 176.95 171.37 2a3l n THR 621 N 5.58 0.11 -0.85 5.86 -2.24 -1.26 -2.02 114.28 119.46 2a3l n THR 621 Ca 0.29 -0.18 -0.30 0.00 -2.27 0.00 0.00 64.05 61.58 2a3l n THR 621 Cb 0.48 0.04 0.07 0.00 -2.10 0.00 0.00 70.33 68.82 2a3l n THR 621 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2a3l n ASN 622 N -1.86 -2.73 0.21 3.42 0.23 -1.26 -4.88 115.26 108.39 2a3l n ASN 622 Ca -0.04 -0.06 0.09 0.00 -0.53 0.00 0.00 54.58 54.05 2a3l n ASN 622 Cb 0.31 -0.62 0.39 0.00 -2.08 0.00 0.00 39.78 37.79 2a3l n ASN 622 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2a3l h ALA 623 N -1.52 0.97 -2.32 -2.53 0.00 -1.97 -3.47 119.26 108.42 2a3l h ALA 623 Ca -0.35 -0.22 -0.50 0.00 0.00 0.00 0.00 54.91 53.84 2a3l h ALA 623 Cb 1.14 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2a3l h ALA 623 CO 0.21 0.30 -0.02 -0.06 0.00 0.00 0.00 179.25 179.68 2a3l s PHE 624 N -3.53 3.51 0.16 0.00 2.99 -1.26 -4.75 117.98 115.10 2a3l s PHE 624 Ca 0.01 0.71 -0.30 0.00 0.00 0.00 0.00 56.93 57.35 2a3l s PHE 624 Cb 0.09 -2.19 -0.07 0.00 0.00 0.00 0.00 43.02 40.85 2a3l s PHE 624 CO 0.65 -0.04 1.17 1.21 -0.00 0.00 0.00 175.22 178.21 2a3l s ASN 625 N -3.68 7.13 0.52 1.36 3.04 -1.26 -4.74 114.94 117.30 2a3l s ASN 625 Ca 0.46 2.15 -0.21 0.00 0.04 0.00 0.00 52.86 55.30 2a3l s ASN 625 Cb -0.10 -2.60 -0.06 0.00 -1.54 0.00 0.00 41.25 36.94 2a3l s ASN 625 CO 0.37 -0.36 1.15 -2.16 -3.04 0.00 0.00 177.10 173.06 2a3l s PRO 626 N -0.00 3.48 0.97 0.43 0.04 -1.26 -4.97 135.00 133.69 2a3l s PRO 626 Ca 0.53 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 63.14 2a3l s PRO 626 Cb -0.31 -2.15 0.16 0.00 0.04 0.00 0.00 34.50 32.24 2a3l s PRO 626 CO 0.35 -0.77 0.32 0.00 0.04 0.00 0.00 177.00 176.94 2a3l n ALA 627 N -1.01 -0.24 -0.12 8.56 0.00 -1.26 -4.73 120.51 121.71 2a3l n ALA 627 Ca 0.10 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2a3l n ALA 627 Cb 0.50 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2a3l n ALA 627 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2a3l n PHE 628 N -4.32 0.00 -0.17 0.00 -0.00 -1.26 -2.54 117.46 109.17 2a3l n PHE 628 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 2a3l n PHE 628 Cb 0.32 -0.44 0.03 0.00 -0.00 0.00 0.00 39.48 39.38 2a3l n PHE 628 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2a3l n SER 629 N -1.83 -0.27 -0.10 -2.13 7.64 -1.26 0.36 113.62 116.03 2a3l n SER 629 Ca 0.00 0.80 -0.05 0.00 1.01 0.00 0.00 58.87 60.62 2a3l n SER 629 Cb 0.00 -0.19 0.02 0.00 -1.01 0.00 0.00 64.21 63.02 2a3l n SER 629 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 2a3l h TYR 630 N 0.00 0.00 0.31 1.43 5.03 -1.91 -0.01 116.97 121.82 2a3l h TYR 630 Ca 0.17 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.51 2a3l h TYR 630 Cb 0.29 0.05 -0.03 0.00 1.55 0.00 0.00 36.73 38.58 2a3l h TYR 630 CO -0.39 -0.05 -0.46 1.88 -1.32 0.00 0.00 178.16 177.82 2a3l h TYR 631 N 0.11 -1.27 -0.40 -3.82 -1.99 0.66 -2.69 116.97 107.57 2a3l h TYR 631 Ca 0.17 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.98 2a3l h TYR 631 Cb 0.23 0.52 -0.05 0.00 2.00 0.00 0.00 36.73 39.43 2a3l h TYR 631 CO -0.24 -0.59 0.10 -0.39 -0.00 0.00 0.00 178.16 177.04 2a3l h VAL 632 N -0.82 0.81 0.00 -2.88 -1.51 -1.09 -1.76 116.25 109.01 2a3l h VAL 632 Ca -0.02 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2a3l h VAL 632 Cb 0.76 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2a3l h VAL 632 CO -0.15 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 176.23 2a3l n TYR 633 N -5.08 0.00 0.33 5.19 4.19 -0.05 0.17 117.16 121.92 2a3l n TYR 633 Ca 0.03 0.00 0.19 0.00 3.31 0.00 0.00 57.90 61.43 2a3l n TYR 633 Cb 0.17 -0.23 1.02 0.00 0.49 0.00 0.00 39.34 40.79 2a3l n TYR 633 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 2a3l h TYR 634 N 0.00 0.00 -0.00 2.98 -1.99 -1.55 1.45 116.97 117.85 2a3l h TYR 634 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 2a3l h TYR 634 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.73 2a3l h TYR 634 CO -0.35 0.00 -0.20 0.00 -0.00 0.00 0.00 178.16 177.61 2a3l n TYR 636 N -1.01 0.09 -0.07 0.00 -0.00 0.48 -3.88 117.16 112.78 2a3l n TYR 636 Ca 0.12 0.04 -0.09 0.00 -0.00 0.00 0.00 57.90 57.97 2a3l n TYR 636 Cb 0.31 -0.53 -0.06 0.00 -0.00 0.00 0.00 39.34 39.06 2a3l n TYR 636 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2a3l h ALA 637 N -1.00 -0.65 -0.01 2.98 0.00 -1.30 0.74 119.26 120.03 2a3l h ALA 637 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2a3l h ALA 637 Cb 0.95 0.95 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 2a3l h ALA 637 CO 0.00 -0.81 -0.01 -0.91 0.00 0.00 0.00 179.25 177.52 2a3l h ASN 638 N -0.29 -0.03 -0.67 0.00 -0.26 -1.81 0.75 115.58 113.27 2a3l h ASN 638 Ca 0.04 0.00 0.13 0.00 -0.56 0.00 0.00 56.30 55.91 2a3l h ASN 638 Cb 0.40 0.01 -0.12 0.00 -1.06 0.00 0.00 38.32 37.55 2a3l h ASN 638 CO -0.36 -0.01 -0.19 -0.11 -1.06 0.00 0.00 177.43 175.70 2a3l n LEU 639 N -2.76 -0.30 0.00 1.61 -0.00 -0.92 -0.12 117.00 114.51 2a3l n LEU 639 Ca -0.00 1.16 0.00 0.00 -0.00 0.00 0.00 56.01 57.17 2a3l n LEU 639 Cb 0.01 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 43.10 2a3l n LEU 639 CO 0.00 -1.09 0.41 0.00 -0.00 0.00 0.00 177.39 176.71 2a3l n TYR 640 N -5.06 0.00 -0.14 1.96 9.36 0.25 0.55 117.16 124.09 2a3l n TYR 640 Ca 0.10 0.00 0.27 0.00 3.32 0.00 0.00 57.90 61.59 2a3l n TYR 640 Cb 0.32 -0.32 0.72 0.00 -0.63 0.00 0.00 39.34 39.43 2a3l n TYR 640 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2a3l h VAL 641 N 0.00 0.55 -0.02 2.97 2.07 0.88 0.87 116.25 123.57 2a3l h VAL 641 Ca 0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 2a3l h VAL 641 Cb 0.00 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 2a3l h VAL 641 CO 0.00 0.00 -0.24 0.25 0.02 0.00 0.00 177.57 177.60 2a3l h LEU 642 N 0.00 0.24 -0.74 2.57 5.85 -0.43 -3.27 115.31 119.53 2a3l h LEU 642 Ca 0.39 -0.72 0.11 0.00 0.84 0.00 0.00 57.88 58.49 2a3l h LEU 642 Cb 1.59 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 42.47 2a3l h LEU 642 CO -0.00 0.93 0.35 0.78 -0.34 0.00 0.00 178.44 180.16 2a3l h ASN 643 N -0.42 0.43 0.00 1.25 2.35 0.60 -1.78 115.58 118.00 2a3l h ASN 643 Ca -0.02 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 2a3l h ASN 643 Cb 0.95 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.33 2a3l h ASN 643 CO 0.05 0.22 0.00 1.17 -1.65 0.00 0.00 177.43 177.22 2a3l n LYS 644 N -4.89 0.69 0.00 0.81 4.81 0.11 -2.24 118.16 117.45 2a3l n LYS 644 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 2a3l n LYS 644 Cb 0.32 -1.16 0.00 0.00 0.02 0.00 0.00 35.03 34.22 2a3l n LYS 644 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2a3l n LEU 645 N 0.92 0.00 0.32 3.14 0.00 -0.71 -4.32 117.00 116.36 2a3l n LEU 645 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 56.01 56.22 2a3l n LEU 645 Cb 0.34 0.06 1.11 0.00 0.00 0.00 0.00 43.42 44.93 2a3l n LEU 645 CO 0.00 -0.22 1.15 0.03 0.00 0.00 0.00 177.39 178.35 2a3l h ARG 646 N 0.00 0.00 0.09 1.96 3.08 -1.28 1.30 114.38 119.54 2a3l h ARG 646 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2a3l h ARG 646 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2a3l h ARG 646 CO 0.00 0.00 -0.04 1.49 -1.07 0.00 0.00 179.97 180.35 2a3l h GLU 647 N 0.00 -0.12 -0.93 0.04 4.81 -1.58 2.88 114.58 119.68 2a3l h GLU 647 Ca -0.00 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 2a3l h GLU 647 Cb 0.09 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 29.37 2a3l h GLU 647 CO 0.00 0.11 -0.47 0.45 -0.73 0.00 0.00 179.01 178.37 2a3l n SER 648 N -4.84 -0.82 0.00 1.04 2.88 0.21 0.15 113.62 112.24 2a3l n SER 648 Ca -0.04 1.64 0.10 0.00 -1.33 0.00 0.00 58.87 59.24 2a3l n SER 648 Cb 0.14 -0.28 0.59 0.00 -0.75 0.00 0.00 64.21 63.91 2a3l n SER 648 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2a3l n LYS 649 N -5.25 0.87 -2.30 -1.46 3.00 0.39 -4.89 118.16 108.52 2a3l n LYS 649 Ca 0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.28 2a3l n LYS 649 Cb 0.30 -1.35 0.00 0.00 0.00 0.00 0.00 35.03 33.98 2a3l n LYS 649 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2a3l n GLY 650 N 0.63 0.12 3.72 3.14 0.00 0.39 -5.03 105.19 108.15 2a3l n GLY 650 Ca 0.15 -0.51 -0.23 0.00 0.00 0.00 0.00 46.02 45.43 2a3l n GLY 650 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2a3l s MET 651 N -4.61 2.47 0.73 1.61 -1.94 0.96 -4.98 119.30 113.53 2a3l s MET 651 Ca 0.04 -1.39 -0.16 0.00 -1.71 0.00 0.00 55.69 52.48 2a3l s MET 651 Cb -0.02 -2.26 -0.02 0.00 2.01 0.00 0.00 34.83 34.54 2a3l s MET 651 CO 0.05 0.26 0.70 0.25 -0.01 0.00 0.00 175.02 176.27 2a3l n THR 652 N -1.07 2.07 -4.36 2.05 -2.24 -1.26 -4.01 114.28 105.46 2a3l n THR 652 Ca -0.05 -0.38 -0.22 0.00 -2.27 0.00 0.00 64.05 61.13 2a3l n THR 652 Cb 0.60 -0.87 -0.11 0.00 -2.10 0.00 0.00 70.33 67.85 2a3l n THR 652 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2a3l s THR 653 N -1.90 1.94 -0.03 4.28 -4.23 -1.26 -4.73 115.64 109.71 2a3l s THR 653 Ca 0.68 -2.05 0.04 0.00 -1.18 0.00 0.00 61.69 59.18 2a3l s THR 653 Cb -0.34 -1.97 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 2a3l s THR 653 CO 0.55 -0.36 -0.12 0.27 -0.54 0.00 0.00 174.62 174.43 2a3l s ILE 654 N -2.24 3.28 0.02 2.99 -4.36 -1.26 -4.80 121.20 114.83 2a3l s ILE 654 Ca 0.19 -0.76 0.01 0.00 -0.26 0.00 0.00 60.65 59.83 2a3l s ILE 654 Cb -0.05 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 2a3l s ILE 654 CO 0.08 0.51 0.05 0.28 0.24 0.00 0.00 174.94 176.09 2a3l s THR 655 N -0.84 4.45 -0.49 8.37 -1.32 -0.68 -4.82 115.64 120.32 2a3l s THR 655 Ca 0.13 -0.60 -0.29 0.00 -1.21 0.00 0.00 61.69 59.73 2a3l s THR 655 Cb -0.11 -3.05 0.03 0.00 -1.51 0.00 0.00 72.50 67.86 2a3l s THR 655 CO 0.03 0.29 1.15 -0.22 -2.21 0.00 0.00 174.62 173.66 2a3l s LEU 656 N -1.87 3.61 -0.46 9.08 2.96 -1.26 0.90 118.68 131.64 2a3l s LEU 656 Ca 0.23 0.43 0.08 0.00 -0.22 0.00 0.00 54.13 54.66 2a3l s LEU 656 Cb -0.12 -3.51 0.39 0.00 0.50 0.00 0.00 46.19 43.45 2a3l s LEU 656 CO 0.15 -1.28 0.97 0.54 -1.32 0.00 0.00 176.35 175.40 2a3l n ARG 657 N 7.92 2.60 -1.23 1.98 5.12 -0.97 -1.62 116.66 130.46 2a3l n ARG 657 Ca 0.12 -4.25 -0.38 0.00 -1.93 0.00 0.00 57.85 51.41 2a3l n ARG 657 Cb 0.49 -2.00 0.03 0.00 -1.16 0.00 0.00 32.46 29.82 2a3l n ARG 657 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2a3l n PRO 658 N -0.21 0.13 -3.21 5.56 -0.02 -1.26 -4.48 135.00 131.50 2a3l n PRO 658 Ca 0.29 0.05 -0.40 0.00 -2.02 0.00 0.00 63.50 61.43 2a3l n PRO 658 Cb 0.59 -1.27 -0.07 0.00 -0.02 0.00 0.00 33.50 32.73 2a3l n PRO 658 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2a3l s HIS 659 N -1.95 3.27 -0.16 6.00 3.76 -1.19 -0.83 115.29 124.19 2a3l s HIS 659 Ca 0.57 0.67 -0.14 0.00 -0.15 0.00 0.00 55.06 56.01 2a3l s HIS 659 Cb -0.40 -2.74 0.04 0.00 1.11 0.00 0.00 32.58 30.59 2a3l s HIS 659 CO 0.66 -0.29 0.42 0.45 -0.85 0.00 0.00 174.74 175.13 2a3l s SER 660 N 1.53 -0.44 -0.05 1.40 0.15 -1.26 -4.83 113.70 110.19 2a3l s SER 660 Ca 0.22 0.84 -0.00 0.00 0.70 0.00 0.00 55.95 57.71 2a3l s SER 660 Cb -0.16 0.85 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 2a3l s SER 660 CO 0.09 -0.15 0.03 0.61 1.20 0.00 0.00 173.24 175.02 2a3l n GLY 661 N 2.95 0.76 0.06 9.45 0.00 -1.26 -0.99 105.19 116.17 2a3l n GLY 661 Ca -0.14 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.20 2a3l n GLY 661 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2a3l n GLU 662 N -0.76 0.66 -0.88 1.61 2.13 -1.26 -0.71 120.64 121.42 2a3l n GLU 662 Ca -0.00 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.78 2a3l n GLU 662 Cb 0.50 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.62 2a3l n GLU 662 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2a3l n ALA 663 N -2.44 0.00 0.00 4.31 0.00 -1.26 -4.81 120.51 116.31 2a3l n ALA 663 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2a3l n ALA 663 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.26 2a3l n ALA 663 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2a3l n GLY 664 N 0.00 -1.10 3.91 0.00 0.00 -1.25 -4.69 105.19 102.06 2a3l n GLY 664 Ca 0.00 -1.33 -0.27 0.00 0.00 0.00 0.00 46.02 44.42 2a3l n GLY 664 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2a3l s ASP 665 N -4.00 6.39 0.49 1.61 2.15 -1.26 -4.99 116.67 117.05 2a3l s ASP 665 Ca 0.00 0.70 0.15 0.00 0.43 0.00 0.00 52.55 53.83 2a3l s ASP 665 Cb 0.00 -2.14 1.15 0.00 -0.30 0.00 0.00 42.92 41.63 2a3l s ASP 665 CO 0.00 -0.29 2.09 -0.29 -0.17 0.00 0.00 175.17 176.52 2a3l h ILE 666 N 1.03 1.05 0.00 4.11 6.09 -1.97 -2.92 117.51 124.90 2a3l h ILE 666 Ca -0.48 -0.21 -0.02 0.00 -1.37 0.00 0.00 64.86 62.78 2a3l h ILE 666 Cb 1.20 1.06 -0.00 0.00 0.47 0.00 0.00 36.82 39.55 2a3l h ILE 666 CO 0.64 0.06 -0.09 -2.24 -3.07 0.00 0.00 178.15 173.46 2a3l h ASP 667 N 0.05 0.00 -0.41 2.19 2.03 -1.99 -2.76 116.42 115.52 2a3l h ASP 667 Ca 0.01 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 56.40 2a3l h ASP 667 Cb 0.09 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 38.51 2a3l h ASP 667 CO 0.00 0.09 -0.19 0.45 -1.03 0.00 0.00 179.24 178.56 2a3l h HIS 668 N 0.00 -0.47 0.24 4.15 3.86 -1.92 -1.26 115.15 119.75 2a3l h HIS 668 Ca -0.00 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2a3l h HIS 668 Cb 0.22 0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.97 2a3l h HIS 668 CO 0.00 -0.27 -0.12 -0.07 0.86 0.00 0.00 177.93 178.33 2a3l h LEU 669 N -0.11 -0.27 -0.95 2.43 3.38 -1.72 0.12 115.31 118.19 2a3l h LEU 669 Ca 0.20 -0.10 0.10 0.00 0.09 0.00 0.00 57.88 58.18 2a3l h LEU 669 Cb 0.42 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 41.12 2a3l h LEU 669 CO -0.49 -0.07 -0.54 0.00 0.09 0.00 0.00 178.44 177.44 2a3l h ALA 670 N 0.25 -0.39 -0.34 1.53 0.00 -1.36 1.02 119.26 119.98 2a3l h ALA 670 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2a3l h ALA 670 Cb 0.35 1.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 2a3l h ALA 670 CO 0.05 -0.89 0.15 0.00 0.00 0.00 0.00 179.25 178.57 2a3l h ALA 671 N 0.67 0.43 -0.53 0.00 0.00 -1.17 -2.33 119.26 116.34 2a3l h ALA 671 Ca 0.20 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2a3l h ALA 671 Cb 0.47 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2a3l h ALA 671 CO -0.92 0.01 0.13 0.00 0.00 0.00 0.00 179.25 178.46 2a3l h THR 672 N 0.40 0.72 -0.71 0.00 1.03 0.13 -1.26 112.91 113.21 2a3l h THR 672 Ca 0.11 -0.09 0.12 0.00 -0.01 0.00 0.00 66.41 66.54 2a3l h THR 672 Cb 0.14 0.42 -0.05 0.00 -1.07 0.00 0.00 68.15 67.60 2a3l h THR 672 CO -0.01 0.05 0.47 0.15 -0.01 0.00 0.00 175.52 176.17 2a3l h PHE 673 N 0.27 0.52 0.00 0.00 3.57 0.15 -0.54 116.94 120.91 2a3l h PHE 673 Ca 0.27 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.71 2a3l h PHE 673 Cb 0.36 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2a3l h PHE 673 CO -0.22 0.23 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.66 2a3l h LEU 674 N 0.47 0.00 0.00 0.59 3.38 -0.95 -3.41 115.31 115.39 2a3l h LEU 674 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 2a3l h LEU 674 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2a3l h LEU 674 CO -0.11 0.36 -0.07 0.35 0.09 0.00 0.00 178.44 179.06 2a3l n THR 675 N -3.23 0.00 -4.47 0.22 -2.24 -0.59 -3.94 114.28 100.03 2a3l n THR 675 Ca 0.02 -0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 2a3l n THR 675 Cb 0.64 0.94 -0.10 0.00 -2.10 0.00 0.00 70.33 69.71 2a3l n THR 675 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2a3l n HIS 677 N -0.88 0.00 0.00 0.00 -0.00 -0.64 -4.91 115.22 108.79 2a3l n HIS 677 Ca -0.05 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.13 2a3l n HIS 677 Cb 0.64 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.51 2a3l n HIS 677 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2a3l n SER 678 N 0.00 -1.04 -3.47 0.26 2.88 -1.26 -4.90 113.62 106.09 2a3l n SER 678 Ca 0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 2a3l n SER 678 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2a3l n SER 678 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2a3l s ILE 679 N -0.52 0.00 -0.15 2.46 1.01 -1.19 -4.54 121.20 118.27 2a3l s ILE 679 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 60.65 60.79 2a3l s ILE 679 Cb 0.00 -1.00 -0.24 0.00 0.01 0.00 0.00 42.46 41.23 2a3l s ILE 679 CO 0.00 0.00 0.25 0.00 0.00 0.00 0.00 174.94 175.19 2a3l n ALA 680 N 0.10 1.47 0.04 9.38 0.00 -0.01 -1.87 120.51 129.62 2a3l n ALA 680 Ca -0.16 -1.11 -0.01 0.00 0.00 0.00 0.00 53.44 52.16 2a3l n ALA 680 Cb 0.62 -0.41 -0.00 0.00 0.00 0.00 0.00 19.45 19.65 2a3l n ALA 680 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2a3l n HIS 681 N -2.90 0.00 0.00 0.00 8.25 -1.15 -4.04 115.22 115.38 2a3l n HIS 681 Ca -0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 2a3l n HIS 681 Cb 1.11 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.19 2a3l n HIS 681 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2a3l n GLY 682 N 3.36 2.45 0.43 -1.41 0.00 -0.16 -4.73 105.19 105.13 2a3l n GLY 682 Ca -0.01 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.38 2a3l n GLY 682 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2a3l h ILE 683 N 0.00 0.07 -0.00 -0.61 1.08 -1.58 0.91 117.51 117.37 2a3l h ILE 683 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2a3l h ILE 683 Cb 0.00 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 2a3l h ILE 683 CO 0.00 0.01 -0.03 0.59 -0.69 0.00 0.00 178.15 178.03 2a3l n ASN 684 N -4.83 0.16 0.29 1.72 3.02 0.11 -2.86 115.26 112.86 2a3l n ASN 684 Ca 0.38 -0.43 0.17 0.00 -0.03 0.00 0.00 54.58 54.67 2a3l n ASN 684 Cb 1.43 -0.17 0.95 0.00 -0.61 0.00 0.00 39.78 41.38 2a3l n ASN 684 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2a3l h LEU 685 N 0.20 0.00 -0.49 3.41 4.07 0.60 -1.11 115.31 121.98 2a3l h LEU 685 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2a3l h LEU 685 Cb 0.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.00 2a3l h LEU 685 CO 0.00 0.00 0.01 -2.11 -1.08 0.00 0.00 178.44 175.26 2a3l n ARG 686 N -3.69 0.05 -0.27 1.13 1.85 -1.14 -1.38 116.66 113.22 2a3l n ARG 686 Ca -0.02 0.54 0.07 0.00 -1.00 0.00 0.00 57.85 57.44 2a3l n ARG 686 Cb 0.13 -1.66 0.19 0.00 -1.05 0.00 0.00 32.46 30.06 2a3l n ARG 686 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2a3l n LYS 687 N -1.76 2.63 -3.36 2.89 5.02 -0.42 -4.88 118.16 118.28 2a3l n LYS 687 Ca -0.00 -2.47 -0.13 0.00 -2.02 0.00 0.00 58.31 53.69 2a3l n LYS 687 Cb 0.02 -1.56 -0.08 0.00 -0.02 0.00 0.00 35.03 33.39 2a3l n LYS 687 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2a3l s SER 688 N -1.78 1.00 0.16 4.39 0.15 -0.48 -5.02 113.70 112.13 2a3l s SER 688 Ca 0.31 -0.48 -0.22 0.00 0.70 0.00 0.00 55.95 56.27 2a3l s SER 688 Cb 0.24 0.80 0.06 0.00 -1.71 0.00 0.00 66.02 65.42 2a3l s SER 688 CO 0.09 -0.36 1.62 -0.65 1.20 0.00 0.00 173.24 175.13 2a3l h PRO 689 N 8.22 -0.21 0.46 5.44 0.11 -1.86 -1.63 132.00 142.53 2a3l h PRO 689 Ca -0.12 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 2a3l h PRO 689 Cb 1.10 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2a3l h PRO 689 CO 0.30 -0.14 -0.41 0.28 -0.21 0.00 0.00 178.00 177.82 2a3l h VAL 690 N -0.22 0.00 -0.86 3.15 2.07 -1.82 0.15 116.25 118.73 2a3l h VAL 690 Ca 0.17 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.85 2a3l h VAL 690 Cb 0.48 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.19 2a3l h VAL 690 CO -0.46 0.00 0.56 -0.07 0.02 0.00 0.00 177.57 177.62 2a3l h LEU 691 N -0.85 0.51 -0.57 2.57 3.38 -1.81 0.28 115.31 118.82 2a3l h LEU 691 Ca -0.06 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 2a3l h LEU 691 Cb 0.72 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 2a3l h LEU 691 CO -0.02 0.24 0.13 -0.61 0.09 0.00 0.00 178.44 178.27 2a3l h GLN 692 N 0.53 0.93 -0.60 1.13 4.15 -0.83 -1.14 115.11 119.28 2a3l h GLN 692 Ca 0.43 -0.23 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 2a3l h GLN 692 Cb 0.89 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 2a3l h GLN 692 CO -0.18 0.87 0.20 -0.92 -1.93 0.00 0.00 178.83 176.87 2a3l h TYR 693 N 0.83 0.96 0.54 3.99 3.20 0.24 -2.26 116.97 124.46 2a3l h TYR 693 Ca 0.18 -0.09 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 2a3l h TYR 693 Cb 0.37 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.36 2a3l h TYR 693 CO 0.03 0.79 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.99 2a3l h LEU 694 N 0.85 -0.66 -1.24 2.82 -0.00 -0.83 -0.16 115.31 116.08 2a3l h LEU 694 Ca 0.19 0.03 0.36 0.00 -0.00 0.00 0.00 57.88 58.46 2a3l h LEU 694 Cb 0.27 0.18 -0.05 0.00 -0.00 0.00 0.00 40.66 41.06 2a3l h LEU 694 CO -0.01 -0.45 1.24 -1.22 -0.00 0.00 0.00 178.44 178.01 2a3l n TYR 695 N -4.04 0.00 0.04 1.13 4.02 -0.46 0.21 117.16 118.06 2a3l n TYR 695 Ca -0.09 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.78 2a3l n TYR 695 Cb 0.29 -0.31 -0.01 0.00 -0.02 0.00 0.00 39.34 39.30 2a3l n TYR 695 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 2a3l h TYR 696 N 0.00 -0.10 0.00 -0.72 3.20 -0.43 -1.25 116.97 117.67 2a3l h TYR 696 Ca 0.59 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.46 2a3l h TYR 696 Cb 3.07 0.03 0.00 0.00 1.54 0.00 0.00 36.73 41.38 2a3l h TYR 696 CO 0.00 -0.06 0.00 1.28 -1.64 0.00 0.00 178.16 177.74 2a3l n LEU 697 N -2.52 0.00 -0.44 2.82 4.32 0.13 -0.25 117.00 121.06 2a3l n LEU 697 Ca -0.01 0.75 0.38 0.00 -0.02 0.00 0.00 56.01 57.11 2a3l n LEU 697 Cb 0.04 -0.25 0.71 0.00 -1.62 0.00 0.00 43.42 42.31 2a3l n LEU 697 CO 0.03 -0.25 1.33 0.00 -1.22 0.00 0.00 177.39 177.28 2a3l h ALA 698 N -1.50 3.09 -3.79 -1.18 0.00 -1.32 -3.45 119.26 111.11 2a3l h ALA 698 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 2a3l h ALA 698 Cb 0.00 0.12 0.08 0.00 0.00 0.00 0.00 17.79 17.99 2a3l h ALA 698 CO 0.00 -1.55 -0.39 1.04 0.00 0.00 0.00 179.25 178.35 2a3l n GLN 699 N -4.30 -4.04 0.31 0.00 1.13 0.65 -4.94 117.38 106.19 2a3l n GLN 699 Ca 0.32 0.46 0.21 0.00 -1.94 0.00 0.00 57.00 56.05 2a3l n GLN 699 Cb 1.41 -4.34 1.06 0.00 0.11 0.00 0.00 30.24 28.48 2a3l n GLN 699 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2a3l h ILE 700 N -1.29 0.00 -3.86 5.09 2.04 -1.74 -3.46 117.51 114.30 2a3l h ILE 700 Ca -0.32 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.46 2a3l h ILE 700 Cb 1.19 1.03 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2a3l h ILE 700 CO 0.29 0.00 -0.79 0.61 0.00 0.00 0.00 178.15 178.26 2a3l n GLY 701 N -0.89 -5.14 3.31 5.37 0.00 -1.25 -4.24 105.19 102.34 2a3l n GLY 701 Ca -0.02 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2a3l n GLY 701 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a3l s LEU 702 N -0.44 2.60 -0.57 0.99 1.02 0.18 -3.17 118.68 119.29 2a3l s LEU 702 Ca 0.00 -0.41 -0.16 0.00 0.02 0.00 0.00 54.13 53.58 2a3l s LEU 702 Cb 0.00 -1.59 0.13 0.00 0.02 0.00 0.00 46.19 44.75 2a3l s LEU 702 CO 0.00 0.11 0.55 0.00 0.02 0.00 0.00 176.35 177.04 2a3l s ALA 703 N 0.67 3.65 -0.08 4.21 0.00 -0.78 -0.02 121.76 129.40 2a3l s ALA 703 Ca -0.07 -2.56 -0.02 0.00 0.00 0.00 0.00 51.96 49.32 2a3l s ALA 703 Cb -0.16 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.60 2a3l s ALA 703 CO 0.02 -2.09 -0.01 -1.64 0.00 0.00 0.00 175.76 172.04 2a3l s MET 704 N 1.65 2.96 -0.71 0.00 -1.94 -0.34 -4.27 119.30 116.66 2a3l s MET 704 Ca 0.06 -0.42 0.01 0.00 -1.71 0.00 0.00 55.69 53.62 2a3l s MET 704 Cb -0.27 -2.77 0.18 0.00 2.01 0.00 0.00 34.83 33.97 2a3l s MET 704 CO 0.02 0.69 0.53 -1.12 -0.01 0.00 0.00 175.02 175.13 2a3l s SER 705 N -0.86 5.18 0.09 3.03 0.01 -1.26 0.95 113.70 120.83 2a3l s SER 705 Ca 0.13 -3.46 -0.25 0.00 1.31 0.00 0.00 55.95 53.68 2a3l s SER 705 Cb -0.11 -1.77 -0.15 0.00 0.21 0.00 0.00 66.02 64.20 2a3l s SER 705 CO 0.02 -0.20 1.71 -0.65 0.41 0.00 0.00 173.24 174.53 2a3l h PRO 706 N 6.12 -0.19 -0.89 12.44 0.11 -1.94 0.42 132.00 148.07 2a3l h PRO 706 Ca 0.08 0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.32 2a3l h PRO 706 Cb 0.84 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 31.92 2a3l h PRO 706 CO 0.75 -0.13 0.57 1.25 -0.21 0.00 0.00 178.00 180.24 2a3l h LEU 707 N -0.20 0.72 0.09 2.35 5.85 -1.93 0.80 115.31 123.00 2a3l h LEU 707 Ca -0.01 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 2a3l h LEU 707 Cb 0.16 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.08 2a3l h LEU 707 CO 0.01 0.39 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.19 2a3l h SER 708 N 0.78 -0.10 -1.56 1.25 0.87 -1.75 -3.21 113.55 109.84 2a3l h SER 708 Ca 0.43 -0.40 0.45 0.00 -1.23 0.00 0.00 61.79 61.05 2a3l h SER 708 Cb 0.57 0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.49 2a3l h SER 708 CO -0.19 0.55 1.26 0.78 -0.53 0.00 0.00 176.83 178.69 2a3l h ASN 709 N -0.95 0.00 0.71 6.23 -0.26 -0.46 2.04 115.58 122.88 2a3l h ASN 709 Ca -0.01 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.67 2a3l h ASN 709 Cb 0.49 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.74 2a3l h ASN 709 CO 0.02 0.00 -0.27 -1.13 -1.06 0.00 0.00 177.43 174.99 2a3l h ASN 710 N 0.00 0.00 0.29 5.81 -0.00 -0.84 0.16 115.58 121.01 2a3l h ASN 710 Ca 0.74 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 57.03 2a3l h ASN 710 Cb 3.24 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 41.55 2a3l h ASN 710 CO -0.01 0.27 -0.34 0.28 -0.00 0.00 0.00 177.43 177.64 2a3l h SER 711 N 0.00 -0.94 0.00 1.15 0.02 0.32 -3.41 113.55 110.69 2a3l h SER 711 Ca -0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2a3l h SER 711 Cb 0.70 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.56 2a3l h SER 711 CO 0.04 -0.43 0.00 -0.11 -1.14 0.00 0.00 176.83 175.19 2a3l n LEU 712 N -4.41 0.00 -0.11 5.07 0.00 -1.25 -4.88 117.00 111.42 2a3l n LEU 712 Ca -0.08 0.00 0.27 0.00 0.00 0.00 0.00 56.01 56.20 2a3l n LEU 712 Cb 0.30 0.00 0.71 0.00 0.00 0.00 0.00 43.42 44.43 2a3l n LEU 712 CO 0.16 0.00 1.24 -0.26 0.00 0.00 0.00 177.39 178.54 2a3l h PHE 713 N 0.00 0.00 -2.28 1.96 -1.00 -1.85 -3.44 116.94 110.32 2a3l h PHE 713 Ca 0.00 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.72 2a3l h PHE 713 Cb 0.00 0.00 -0.23 0.00 3.61 0.00 0.00 35.95 39.33 2a3l h PHE 713 CO 0.00 0.00 -0.05 -1.17 -1.61 0.00 0.00 178.31 175.48 2a3l s LEU 714 N -7.82 -0.40 0.79 1.54 0.20 0.04 -5.03 118.68 108.02 2a3l s LEU 714 Ca -0.04 1.23 -0.14 0.00 0.69 0.00 0.00 54.13 55.86 2a3l s LEU 714 Cb 0.19 2.02 0.06 0.00 -0.43 0.00 0.00 46.19 48.03 2a3l s LEU 714 CO 0.66 -0.21 1.12 -0.67 -0.29 0.00 0.00 176.35 176.95 2a3l n ASP 715 N 3.29 0.79 0.37 3.68 2.03 -1.26 -3.28 116.55 122.16 2a3l n ASP 715 Ca -0.16 0.60 -0.15 0.00 0.52 0.00 0.00 54.79 55.60 2a3l n ASP 715 Cb 0.56 -1.47 -0.07 0.00 -0.72 0.00 0.00 41.12 39.42 2a3l n ASP 715 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2a3l h TYR 716 N -0.77 -0.89 0.00 -0.67 3.20 -1.90 -3.05 116.97 112.89 2a3l h TYR 716 Ca -0.46 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.38 2a3l h TYR 716 Cb 1.31 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.87 2a3l h TYR 716 CO 0.44 -0.55 0.08 0.72 -1.64 0.00 0.00 178.16 177.21 2a3l n HIS 717 N -4.91 0.28 0.37 -3.82 8.25 -1.26 -0.57 115.22 113.55 2a3l n HIS 717 Ca -0.12 0.15 0.11 0.00 -0.26 0.00 0.00 57.72 57.60 2a3l n HIS 717 Cb 0.38 -0.67 0.19 0.00 1.12 0.00 0.00 29.99 31.00 2a3l n HIS 717 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2a3l n ARG 718 N -1.77 2.38 -2.52 -0.41 1.74 -1.16 -4.97 116.66 109.96 2a3l n ARG 718 Ca -0.01 -2.16 -0.41 0.00 -0.77 0.00 0.00 57.85 54.50 2a3l n ARG 718 Cb 0.09 -1.47 -0.04 0.00 -1.02 0.00 0.00 32.46 30.02 2a3l n ARG 718 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2a3l s ASN 719 N -1.48 7.27 0.07 0.55 3.04 0.26 -4.92 114.94 119.73 2a3l s ASN 719 Ca 0.35 2.08 0.21 0.00 0.04 0.00 0.00 52.86 55.53 2a3l s ASN 719 Cb 0.21 -2.60 0.86 0.00 -1.54 0.00 0.00 41.25 38.18 2a3l s ASN 719 CO 0.29 -0.22 1.66 -0.81 -3.04 0.00 0.00 177.10 174.98 2a3l n PRO 720 N 2.43 0.06 -0.07 0.43 -0.04 -1.26 -4.50 135.00 132.04 2a3l n PRO 720 Ca 0.03 0.22 -0.02 0.00 -0.04 0.00 0.00 63.50 63.69 2a3l n PRO 720 Cb 0.46 -1.60 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 2a3l n PRO 720 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2a3l n PHE 721 N -1.72 -0.08 -0.35 0.54 -0.00 -1.26 -0.82 117.46 113.78 2a3l n PHE 721 Ca 0.04 0.22 0.26 0.00 -0.00 0.00 0.00 57.45 57.98 2a3l n PHE 721 Cb 0.25 -0.51 0.51 0.00 -0.00 0.00 0.00 39.48 39.73 2a3l n PHE 721 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 2a3l h PRO 722 N 0.00 0.27 -0.23 -7.13 0.13 -1.99 0.95 132.00 124.00 2a3l h PRO 722 Ca 0.03 -0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 64.96 2a3l h PRO 722 Cb 0.07 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.14 2a3l h PRO 722 CO -0.17 0.18 -0.59 0.28 -0.23 0.00 0.00 178.00 177.47 2a3l h VAL 723 N 0.28 1.29 0.00 1.56 2.07 -1.28 -0.98 116.25 119.19 2a3l h VAL 723 Ca 0.74 -1.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 2a3l h VAL 723 Cb 1.83 1.74 -0.00 0.00 -1.52 0.00 0.00 31.29 33.34 2a3l h VAL 723 CO -0.55 0.58 -0.13 -0.26 0.02 0.00 0.00 177.57 177.22 2a3l h PHE 724 N 0.57 0.00 0.11 1.57 0.05 0.25 -2.03 116.94 117.47 2a3l h PHE 724 Ca 0.00 0.00 -0.28 0.00 3.82 0.00 0.00 57.97 61.51 2a3l h PHE 724 Cb 1.18 0.00 0.02 0.00 2.00 0.00 0.00 35.95 39.15 2a3l h PHE 724 CO 0.07 0.13 -1.20 0.35 -0.18 0.00 0.00 178.31 177.48 2a3l h PHE 725 N 0.00 0.72 -0.45 -0.55 3.57 0.65 -0.92 116.94 119.97 2a3l h PHE 725 Ca -0.00 -0.47 -0.12 0.00 3.53 0.00 0.00 57.97 60.90 2a3l h PHE 725 Cb 0.55 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 2a3l h PHE 725 CO 0.00 1.34 -0.21 -0.07 -2.23 0.00 0.00 178.31 177.14 2a3l h LEU 726 N 0.18 0.92 0.00 0.59 4.07 -0.80 -2.19 115.31 118.08 2a3l h LEU 726 Ca -0.15 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.47 2a3l h LEU 726 Cb 1.88 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 43.37 2a3l h LEU 726 CO 0.21 1.09 0.00 0.54 -1.08 0.00 0.00 178.44 179.20 2a3l n ARG 727 N -4.11 0.94 -0.91 1.13 1.74 -0.80 -4.62 116.66 110.03 2a3l n ARG 727 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2a3l n ARG 727 Cb 0.44 -1.38 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2a3l n ARG 727 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2a3l n GLY 728 N 0.78 0.48 3.77 -0.13 0.00 -0.82 -4.86 105.19 104.40 2a3l n GLY 728 Ca 0.17 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 2a3l n GLY 728 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2a3l s LEU 729 N 0.00 3.33 -1.19 0.99 1.02 -0.36 -4.86 118.68 117.62 2a3l s LEU 729 Ca 0.00 2.00 -0.11 0.00 0.02 0.00 0.00 54.13 56.04 2a3l s LEU 729 Cb 0.00 -4.55 -0.07 0.00 0.02 0.00 0.00 46.19 41.59 2a3l s LEU 729 CO 0.00 -1.73 2.36 -3.20 0.02 0.00 0.00 176.35 173.79 2a3l n ASN 730 N -2.59 5.52 -4.89 2.29 2.85 -1.26 -4.71 115.26 112.47 2a3l n ASN 730 Ca 0.10 -2.54 -0.29 0.00 -0.11 0.00 0.00 54.58 51.75 2a3l n ASN 730 Cb 0.52 -1.33 -0.02 0.00 1.24 0.00 0.00 39.78 40.19 2a3l n ASN 730 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2a3l s VAL 731 N 3.27 4.86 0.02 3.44 -7.23 -1.26 0.50 120.40 123.99 2a3l s VAL 731 Ca 0.53 0.40 -0.07 0.00 -1.81 0.00 0.00 61.98 61.03 2a3l s VAL 731 Cb 0.14 -3.79 -0.00 0.00 0.56 0.00 0.00 36.38 33.28 2a3l s VAL 731 CO -0.03 -0.65 0.12 -0.94 -0.31 0.00 0.00 175.10 173.29 2a3l s SER 732 N -3.57 0.09 -0.19 4.85 1.04 0.97 -4.78 113.70 112.12 2a3l s SER 732 Ca 0.49 -0.35 -0.08 0.00 0.48 0.00 0.00 55.95 56.49 2a3l s SER 732 Cb -0.10 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 2a3l s SER 732 CO 0.37 -0.43 0.08 -0.76 0.98 0.00 0.00 173.24 173.48 2a3l s LEU 733 N -1.70 3.89 0.00 2.42 1.43 -1.26 -1.19 118.68 122.26 2a3l s LEU 733 Ca -0.11 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 2a3l s LEU 733 Cb -0.05 -1.99 0.00 0.00 0.03 0.00 0.00 46.19 44.18 2a3l s LEU 733 CO -0.01 0.17 0.00 -1.54 0.23 0.00 0.00 176.35 175.20 2a3l n SER 734 N 3.54 2.00 0.00 2.29 3.41 0.27 -4.59 113.62 120.54 2a3l n SER 734 Ca -0.16 -0.70 0.00 0.00 -0.26 0.00 0.00 58.87 57.74 2a3l n SER 734 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2a3l n SER 734 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2a3l n THR 735 N -0.00 0.00 0.00 6.66 -1.04 -1.03 -4.57 114.28 114.30 2a3l n THR 735 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2a3l n THR 735 Cb 0.00 -0.83 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 2a3l n THR 735 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2a3l n ASP 736 N -2.59 0.00 -3.70 8.00 4.64 -0.38 -4.47 116.55 118.05 2a3l n ASP 736 Ca 0.00 0.00 -0.27 0.00 -1.38 0.00 0.00 54.79 53.14 2a3l n ASP 736 Cb 0.40 0.00 -0.11 0.00 -1.04 0.00 0.00 41.12 40.37 2a3l n ASP 736 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2a3l n ASP 737 N 5.35 2.41 0.25 1.67 10.43 -1.26 -1.77 116.55 133.63 2a3l n ASP 737 Ca 0.00 -3.08 0.15 0.00 2.57 0.00 0.00 54.79 54.43 2a3l n ASP 737 Cb 0.00 -0.70 0.80 0.00 1.84 0.00 0.00 41.12 43.06 2a3l n ASP 737 CO 0.00 0.00 0.00 -0.65 -1.07 0.00 0.00 177.20 175.48 2a3l h PRO 738 N 5.16 0.00 0.32 -0.24 0.11 -1.70 -1.13 132.00 134.52 2a3l h PRO 738 Ca 0.18 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 2a3l h PRO 738 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2a3l h PRO 738 CO 0.67 0.00 -0.15 1.25 -0.21 0.00 0.00 178.00 179.55 2a3l h LEU 739 N 0.00 -0.36 -0.12 2.35 6.46 0.15 -2.99 115.31 120.79 2a3l h LEU 739 Ca 0.00 -0.18 -0.04 0.00 -0.12 0.00 0.00 57.88 57.54 2a3l h LEU 739 Cb 0.22 0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2a3l h LEU 739 CO 0.00 0.07 -0.10 -0.61 -0.62 0.00 0.00 178.44 177.18 2a3l h GLN 740 N -0.89 0.28 0.30 1.25 5.75 -1.66 -3.42 115.11 116.73 2a3l h GLN 740 Ca -0.04 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 2a3l h GLN 740 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.08 2a3l h GLN 740 CO 0.07 0.66 -0.15 0.82 -2.65 0.00 0.00 178.83 177.59 2a3l h ILE 741 N -0.10 0.07 -4.20 2.39 2.04 -1.34 -3.49 117.51 112.89 2a3l h ILE 741 Ca 0.02 -0.73 -0.49 0.00 1.00 0.00 0.00 64.86 64.66 2a3l h ILE 741 Cb 0.60 0.12 0.07 0.00 -0.74 0.00 0.00 36.82 36.86 2a3l h ILE 741 CO 0.03 0.02 0.34 -1.00 0.00 0.00 0.00 178.15 177.53 2a3l s HIS 742 N -2.96 3.37 -0.82 1.37 3.76 -1.13 -5.01 115.29 113.86 2a3l s HIS 742 Ca -0.07 0.97 0.12 0.00 -0.15 0.00 0.00 55.06 55.93 2a3l s HIS 742 Cb 0.01 -2.89 -0.08 0.00 1.11 0.00 0.00 32.58 30.73 2a3l s HIS 742 CO 0.21 -0.96 0.60 1.28 -0.85 0.00 0.00 174.74 175.02 2a3l n LEU 743 N -2.82 0.91 -4.66 0.89 4.32 -1.26 -4.94 117.00 109.45 2a3l n LEU 743 Ca 0.06 -0.61 -0.24 0.00 -0.02 0.00 0.00 56.01 55.20 2a3l n LEU 743 Cb 0.57 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.29 2a3l n LEU 743 CO 0.56 0.20 -0.32 0.42 -1.22 0.00 0.00 177.39 177.03 2a3l s THR 744 N -1.92 3.54 0.21 -5.08 -4.23 -1.26 -4.99 115.64 101.91 2a3l s THR 744 Ca 0.07 -1.80 -0.09 0.00 -1.18 0.00 0.00 61.69 58.69 2a3l s THR 744 Cb 0.10 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 71.22 2a3l s THR 744 CO 0.42 -0.32 1.80 0.50 -0.54 0.00 0.00 174.62 176.49 2a3l h LYS 745 N 2.02 0.66 -2.76 3.99 3.64 -2.02 -3.18 116.57 118.93 2a3l h LYS 745 Ca -0.45 -0.04 -0.78 0.00 -1.27 0.00 0.00 60.65 58.11 2a3l h LYS 745 Cb 1.24 -0.15 -0.20 0.00 -0.41 0.00 0.00 32.23 32.71 2a3l h LYS 745 CO 0.60 0.44 1.62 0.39 -2.27 0.00 0.00 179.45 180.22 2a3l n GLU 746 N -4.79 4.61 0.00 1.90 1.02 -1.26 -4.98 120.64 117.13 2a3l n GLU 746 Ca 0.09 -4.03 0.00 0.00 -0.02 0.00 0.00 57.16 53.19 2a3l n GLU 746 Cb 0.19 -2.62 0.00 0.00 -0.02 0.00 0.00 31.44 28.99 2a3l n GLU 746 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2a3l n PRO 747 N 1.59 0.00 0.23 3.49 -0.04 -1.20 -1.82 135.00 137.25 2a3l n PRO 747 Ca 0.46 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 64.03 2a3l n PRO 747 Cb 0.29 0.00 0.69 0.00 -0.04 0.00 0.00 33.50 34.45 2a3l n PRO 747 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2a3l h LEU 748 N 0.00 0.00 0.18 1.53 -0.00 -1.93 0.03 115.31 115.11 2a3l h LEU 748 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.87 2a3l h LEU 748 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2a3l h LEU 748 CO 0.00 0.00 -0.09 0.58 -0.00 0.00 0.00 178.44 178.93 2a3l h VAL 749 N 0.00 0.82 -1.04 0.15 2.07 -1.80 0.39 116.25 116.84 2a3l h VAL 749 Ca 0.04 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.86 2a3l h VAL 749 Cb 0.16 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2a3l h VAL 749 CO -0.00 0.00 0.83 -0.08 0.02 0.00 0.00 177.57 178.34 2a3l h GLU 750 N -0.24 0.00 0.08 1.57 4.81 -0.69 0.45 114.58 120.55 2a3l h GLU 750 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2a3l h GLU 750 Cb 0.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2a3l h GLU 750 CO 0.04 0.00 -0.04 1.49 -0.73 0.00 0.00 179.01 179.77 2a3l h GLU 751 N 0.00 -0.10 -1.12 1.92 4.57 0.25 -2.08 114.58 118.02 2a3l h GLU 751 Ca 0.49 0.01 0.44 0.00 -1.18 0.00 0.00 59.36 59.12 2a3l h GLU 751 Cb 2.15 0.02 -0.17 0.00 -0.16 0.00 0.00 28.75 30.60 2a3l h GLU 751 CO -0.01 -0.07 0.65 0.66 -1.18 0.00 0.00 179.01 179.06 2a3l n TYR 752 N -2.40 1.02 0.03 0.92 4.02 0.34 -0.56 117.16 120.53 2a3l n TYR 752 Ca -0.01 1.03 -0.08 0.00 -0.01 0.00 0.00 57.90 58.82 2a3l n TYR 752 Cb 0.04 -1.44 0.07 0.00 -0.02 0.00 0.00 39.34 37.99 2a3l n TYR 752 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2a3l h SER 753 N 0.00 0.52 1.22 7.72 0.87 -0.07 0.12 113.55 123.93 2a3l h SER 753 Ca 0.86 -0.28 -0.15 0.00 -1.23 0.00 0.00 61.79 60.98 2a3l h SER 753 Cb 2.43 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 64.22 2a3l h SER 753 CO -0.67 0.98 -0.81 0.16 -0.53 0.00 0.00 176.83 175.96 2a3l h ILE 754 N 0.35 1.07 0.64 2.23 3.07 -0.11 -3.01 117.51 121.75 2a3l h ILE 754 Ca 0.00 -2.56 -0.03 0.00 1.55 0.00 0.00 64.86 63.82 2a3l h ILE 754 Cb 1.11 2.50 0.01 0.00 -0.27 0.00 0.00 36.82 40.16 2a3l h ILE 754 CO 0.10 0.61 -0.31 0.00 -1.05 0.00 0.00 178.15 177.50 2a3l h ALA 755 N 1.32 -0.87 -1.08 0.16 0.00 -1.06 -1.24 119.26 116.49 2a3l h ALA 755 Ca -0.04 -0.21 0.31 0.00 0.00 0.00 0.00 54.91 54.97 2a3l h ALA 755 Cb 1.55 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 19.56 2a3l h ALA 755 CO 0.08 -0.86 0.68 0.00 0.00 0.00 0.00 179.25 179.15 2a3l h ALA 756 N -0.95 2.22 0.16 0.00 0.00 -0.82 -1.45 119.26 118.42 2a3l h ALA 756 Ca -0.09 0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 2a3l h ALA 756 Cb 0.70 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2a3l h ALA 756 CO 0.15 -0.72 -1.29 0.77 0.00 0.00 0.00 179.25 178.16 2a3l h SER 757 N 0.35 0.56 0.62 0.00 0.02 -1.35 0.27 113.55 114.01 2a3l h SER 757 Ca 0.67 -0.59 -0.27 0.00 -0.84 0.00 0.00 61.79 60.76 2a3l h SER 757 Cb 1.71 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 64.05 2a3l h SER 757 CO -0.40 1.45 -1.41 -0.37 -1.14 0.00 0.00 176.83 174.96 2a3l h VAL 758 N 0.11 1.25 0.00 2.27 -1.51 -0.69 -3.33 116.25 114.36 2a3l h VAL 758 Ca -0.17 -2.96 0.00 0.00 -1.23 0.00 0.00 66.70 62.34 2a3l h VAL 758 Cb 2.00 2.71 0.00 0.00 -2.13 0.00 0.00 31.29 33.87 2a3l h VAL 758 CO 0.22 0.79 -0.60 0.79 -1.23 0.00 0.00 177.57 177.54 2a3l n TRP 759 N -3.34 0.00 -2.66 5.19 5.03 -0.59 -5.01 117.44 116.06 2a3l n TRP 759 Ca -0.12 0.00 -0.02 0.00 3.03 0.00 0.00 57.50 60.39 2a3l n TRP 759 Cb 1.01 -0.20 0.00 0.00 -1.03 0.00 0.00 31.31 31.09 2a3l n TRP 759 CO 0.00 0.00 0.00 1.63 -0.03 0.00 0.00 177.69 179.29 2a3l n LYS 760 N -1.51 -1.29 -4.19 -0.99 5.02 -0.25 -4.99 118.16 109.97 2a3l n LYS 760 Ca 0.05 1.43 -0.32 0.00 -2.02 0.00 0.00 58.31 57.46 2a3l n LYS 760 Cb 0.34 -4.80 -0.08 0.00 -0.02 0.00 0.00 35.03 30.46 2a3l n LYS 760 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2a3l s LEU 761 N -3.14 3.59 0.00 -0.35 1.02 0.78 -3.88 118.68 116.69 2a3l s LEU 761 Ca 0.06 -0.04 -0.00 0.00 0.02 0.00 0.00 54.13 54.17 2a3l s LEU 761 Cb -0.02 -2.16 0.02 0.00 0.02 0.00 0.00 46.19 44.05 2a3l s LEU 761 CO 0.59 0.24 0.13 -1.54 0.02 0.00 0.00 176.35 175.78 2a3l n SER 762 N 1.01 0.15 0.07 2.29 3.41 -1.26 0.23 113.62 119.52 2a3l n SER 762 Ca -0.12 -1.13 -0.21 0.00 -0.26 0.00 0.00 58.87 57.14 2a3l n SER 762 Cb 0.52 -0.08 -0.15 0.00 -0.26 0.00 0.00 64.21 64.24 2a3l n SER 762 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2a3l h ALA 763 N -0.65 -0.08 -0.98 7.33 0.00 -1.96 -2.03 119.26 120.90 2a3l h ALA 763 Ca -0.04 -0.79 0.27 0.00 0.00 0.00 0.00 54.91 54.35 2a3l h ALA 763 Cb 0.15 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2a3l h ALA 763 CO 0.04 0.51 0.68 0.00 0.00 0.00 0.00 179.25 180.49 2a3l h ASP 765 N 0.13 -0.12 -0.14 0.00 3.45 -1.88 0.74 116.42 118.61 2a3l h ASP 765 Ca 0.49 -0.41 -0.02 0.00 0.43 0.00 0.00 57.03 57.52 2a3l h ASP 765 Cb 1.69 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 40.49 2a3l h ASP 765 CO -0.08 0.38 0.02 -0.07 -1.57 0.00 0.00 179.24 177.92 2a3l h LEU 766 N -0.66 0.22 -1.43 1.55 3.38 -0.15 -1.26 115.31 116.96 2a3l h LEU 766 Ca -0.01 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.73 2a3l h LEU 766 Cb 0.52 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2a3l h LEU 766 CO 0.02 0.44 0.44 0.00 0.09 0.00 0.00 178.44 179.43 2a3l h GLU 768 N 0.71 0.59 0.15 0.00 4.81 -0.36 0.47 114.58 120.95 2a3l h GLU 768 Ca 0.28 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 2a3l h GLU 768 Cb 0.19 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2a3l h GLU 768 CO -0.08 0.73 -0.07 0.82 -0.73 0.00 0.00 179.01 179.68 2a3l h ILE 769 N 0.54 0.97 -0.53 2.32 2.04 0.11 -2.46 117.51 120.49 2a3l h ILE 769 Ca 0.09 -1.10 0.07 0.00 1.00 0.00 0.00 64.86 64.92 2a3l h ILE 769 Cb 0.58 1.58 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 2a3l h ILE 769 CO 0.04 0.23 0.20 0.00 0.00 0.00 0.00 178.15 178.63 2a3l h ALA 770 N -0.12 0.67 0.13 1.87 0.00 0.49 -0.96 119.26 121.33 2a3l h ALA 770 Ca -0.02 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.96 2a3l h ALA 770 Cb 0.53 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 2a3l h ALA 770 CO 0.03 -0.19 -0.47 -0.09 0.00 0.00 0.00 179.25 178.53 2a3l h ARG 771 N 0.39 -0.66 0.00 0.00 2.43 -0.93 -0.88 114.38 114.73 2a3l h ARG 771 Ca 0.26 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.47 2a3l h ARG 771 Cb 0.27 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 2a3l h ARG 771 CO -0.25 -0.44 0.00 0.27 -1.51 0.00 0.00 179.97 178.04 2a3l n ASN 772 N -5.15 0.00 -0.03 -3.80 6.94 -0.93 -1.76 115.26 110.54 2a3l n ASN 772 Ca -0.08 -1.58 -0.15 0.00 -0.02 0.00 0.00 54.58 52.76 2a3l n ASN 772 Cb 0.37 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.68 2a3l n ASN 772 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2a3l h SER 773 N 0.00 0.21 -0.85 0.53 4.64 0.23 -3.13 113.55 115.18 2a3l h SER 773 Ca 0.00 -0.74 0.06 0.00 -0.47 0.00 0.00 61.79 60.64 2a3l h SER 773 Cb 0.00 -0.06 -0.06 0.00 -0.31 0.00 0.00 62.40 61.97 2a3l h SER 773 CO 0.00 0.92 0.53 0.58 -0.87 0.00 0.00 176.83 177.99 2a3l h VAL 774 N -0.48 1.06 0.00 0.95 2.07 -1.21 -1.55 116.25 117.10 2a3l h VAL 774 Ca -0.02 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 2a3l h VAL 774 Cb 0.94 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 2a3l h VAL 774 CO 0.04 0.18 -0.03 1.88 0.02 0.00 0.00 177.57 179.67 2a3l h TYR 775 N 0.98 0.00 0.00 1.57 -1.99 -1.56 -0.94 116.97 115.03 2a3l h TYR 775 Ca 0.36 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 61.04 2a3l h TYR 775 Cb 0.14 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 2a3l h TYR 775 CO -0.03 0.03 -0.33 0.37 -0.00 0.00 0.00 178.16 178.19 2a3l h GLN 776 N 0.00 0.00 -7.24 4.88 4.15 -1.25 -3.47 115.11 112.17 2a3l h GLN 776 Ca -0.00 0.00 -0.44 0.00 0.77 0.00 0.00 58.65 58.98 2a3l h GLN 776 Cb 0.05 0.00 0.19 0.00 0.21 0.00 0.00 27.48 27.93 2a3l h GLN 776 CO 0.00 0.24 0.08 0.45 -1.93 0.00 0.00 178.83 177.67 2a3l s SER 777 N -6.26 1.52 -0.07 -0.69 0.15 -0.36 -4.92 113.70 103.07 2a3l s SER 777 Ca 0.05 1.31 0.14 0.00 0.70 0.00 0.00 55.95 58.14 2a3l s SER 777 Cb 0.07 -2.04 0.44 0.00 -1.71 0.00 0.00 66.02 62.78 2a3l s SER 777 CO 0.72 -3.83 1.36 0.61 1.20 0.00 0.00 173.24 173.29 2a3l n GLY 778 N -0.03 3.18 3.80 9.45 0.00 -1.26 -5.04 105.19 115.29 2a3l n GLY 778 Ca 0.04 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.10 2a3l n GLY 778 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2a3l s PHE 779 N -1.71 2.86 0.46 1.61 0.08 -1.26 -4.97 117.98 115.05 2a3l s PHE 779 Ca 0.33 1.19 -0.23 0.00 0.12 0.00 0.00 56.93 58.34 2a3l s PHE 779 Cb 0.22 -3.09 -0.09 0.00 -0.57 0.00 0.00 43.02 39.49 2a3l s PHE 779 CO 0.15 -1.71 1.06 -1.13 -0.10 0.00 0.00 175.22 173.49 2a3l n SER 780 N -3.40 1.46 -0.24 1.36 3.41 -1.26 -4.77 113.62 110.18 2a3l n SER 780 Ca 0.07 1.00 0.08 0.00 -0.26 0.00 0.00 58.87 59.77 2a3l n SER 780 Cb 0.56 -1.40 0.35 0.00 -0.26 0.00 0.00 64.21 63.46 2a3l n SER 780 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 2a3l h HIS 781 N 1.44 0.83 -0.74 7.33 -0.00 -1.95 0.47 115.15 122.52 2a3l h HIS 781 Ca -0.46 0.02 0.20 0.00 -0.00 0.00 0.00 60.37 60.13 2a3l h HIS 781 Cb 1.33 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 28.44 2a3l h HIS 781 CO 0.43 0.38 0.52 0.00 -0.00 0.00 0.00 177.93 179.27 2a3l h ALA 782 N 1.59 2.54 0.00 5.26 0.00 -1.93 -0.30 119.26 126.42 2a3l h ALA 782 Ca 0.38 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.95 2a3l h ALA 782 Cb 0.45 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2a3l h ALA 782 CO -0.15 -0.76 -2.32 -0.11 0.00 0.00 0.00 179.25 175.91 2a3l n LEU 783 N -4.37 0.03 0.38 0.00 7.94 0.05 -3.51 117.00 117.52 2a3l n LEU 783 Ca 0.15 0.02 -0.17 0.00 -1.11 0.00 0.00 56.01 54.90 2a3l n LEU 783 Cb 0.74 0.43 -0.08 0.00 0.53 0.00 0.00 43.42 45.04 2a3l n LEU 783 CO 0.36 0.44 0.49 0.11 -1.11 0.00 0.00 177.39 177.68 2a3l h LYS 784 N 0.00 -0.94 -0.89 1.96 1.57 -0.46 -0.21 116.57 117.60 2a3l h LYS 784 Ca -0.48 0.06 0.22 0.00 -1.87 0.00 0.00 60.65 58.58 2a3l h LYS 784 Cb 2.10 0.21 -0.16 0.00 0.08 0.00 0.00 32.23 34.46 2a3l h LYS 784 CO 0.03 -0.60 -0.00 0.77 -0.57 0.00 0.00 179.45 179.07 2a3l h SER 785 N -1.15 -0.45 0.67 0.86 0.02 -1.23 0.62 113.55 112.89 2a3l h SER 785 Ca -0.10 0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 2a3l h SER 785 Cb 0.77 0.43 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2a3l h SER 785 CO 0.16 -0.27 -0.41 -0.74 -1.14 0.00 0.00 176.83 174.44 2a3l h HIS 786 N 0.06 0.00 0.07 3.45 -0.00 -1.55 -2.76 115.15 114.42 2a3l h HIS 786 Ca 0.50 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.62 2a3l h HIS 786 Cb 0.95 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.35 2a3l h HIS 786 CO -0.49 0.41 -1.34 -1.49 -0.00 0.00 0.00 177.93 175.02 2a3l h TRP 787 N 0.00 0.27 0.00 5.26 6.55 0.19 -3.45 115.95 124.77 2a3l h TRP 787 Ca -0.00 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.64 2a3l h TRP 787 Cb 0.85 -0.01 0.00 0.00 -0.86 0.00 0.00 29.16 29.14 2a3l h TRP 787 CO 0.00 1.52 0.00 0.44 -1.05 0.00 0.00 178.44 179.35 2a3l n ILE 788 N -4.08 0.00 -3.55 1.49 -5.35 0.12 -4.60 119.36 103.39 2a3l n ILE 788 Ca -0.27 0.26 -0.10 0.00 -0.27 0.00 0.00 62.75 62.37 2a3l n ILE 788 Cb 0.82 -1.22 -0.04 0.00 -1.74 0.00 0.00 39.64 37.46 2a3l n ILE 788 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2a3l s GLY 789 N -2.28 -0.36 0.00 3.28 0.00 -1.04 -4.37 107.32 102.55 2a3l s GLY 789 Ca 0.00 1.59 0.21 0.00 0.00 0.00 0.00 44.72 46.52 2a3l s GLY 789 CO 0.00 0.74 1.66 0.58 0.00 0.00 0.00 173.10 176.08 2a3l n LYS 790 N 0.32 0.25 -0.08 2.90 2.85 -1.22 -1.53 118.16 121.64 2a3l n LYS 790 Ca -0.09 0.10 0.07 0.00 -1.05 0.00 0.00 58.31 57.33 2a3l n LYS 790 Cb 0.59 -1.50 0.11 0.00 -0.65 0.00 0.00 35.03 33.58 2a3l n LYS 790 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2a3l n ASP 791 N -1.32 2.50 -0.34 -5.58 8.00 -1.26 -4.67 116.55 113.89 2a3l n ASP 791 Ca 0.09 -1.73 0.30 0.00 0.71 0.00 0.00 54.79 54.17 2a3l n ASP 791 Cb 0.18 -0.11 0.64 0.00 -0.02 0.00 0.00 41.12 41.81 2a3l n ASP 791 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2a3l h TYR 792 N 2.55 0.32 0.00 1.24 -0.00 -1.36 0.16 116.97 119.88 2a3l h TYR 792 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 2a3l h TYR 792 Cb 0.64 -0.09 0.00 0.00 -0.00 0.00 0.00 36.73 37.28 2a3l h TYR 792 CO 0.11 0.01 0.00 2.48 -0.00 0.00 0.00 178.16 180.76 2a3l n TYR 793 N -4.41 0.00 -3.02 0.10 4.11 -1.26 -4.66 117.16 108.02 2a3l n TYR 793 Ca 0.27 0.00 -0.41 0.00 -0.00 0.00 0.00 57.90 57.76 2a3l n TYR 793 Cb 1.12 -0.14 -0.05 0.00 -0.00 0.00 0.00 39.34 40.26 2a3l n TYR 793 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 2a3l s LYS 794 N -2.28 4.26 0.07 -3.48 2.47 0.54 -0.67 119.74 120.64 2a3l s LYS 794 Ca 0.06 0.80 -0.31 0.00 -1.56 0.00 0.00 55.97 54.95 2a3l s LYS 794 Cb 0.03 -3.57 -0.10 0.00 -1.46 0.00 0.00 37.83 32.73 2a3l s LYS 794 CO 0.06 -0.26 1.89 -2.13 0.16 0.00 0.00 175.35 175.08 2a3l n ARG 795 N 5.06 2.74 0.00 4.03 0.00 -1.06 -4.11 116.66 123.31 2a3l n ARG 795 Ca 0.01 1.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.86 2a3l n ARG 795 Cb 0.49 -2.91 0.00 0.00 0.00 0.00 0.00 32.46 30.04 2a3l n ARG 795 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2a3l n GLY 796 N 4.36 -1.65 0.15 5.14 0.00 -1.26 -4.68 105.19 107.24 2a3l n GLY 796 Ca 0.19 -2.06 -0.10 0.00 0.00 0.00 0.00 46.02 44.06 2a3l n GLY 796 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2a3l h PRO 797 N 0.31 0.42 0.00 1.61 0.11 -1.86 -1.71 132.00 130.89 2a3l h PRO 797 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2a3l h PRO 797 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 2a3l h PRO 797 CO 0.00 0.38 0.00 -0.40 -0.21 0.00 0.00 178.00 177.77 2a3l n ASP 798 N -4.80 0.00 -1.27 -2.05 3.85 -1.26 -1.88 116.55 109.14 2a3l n ASP 798 Ca -0.02 -0.26 0.08 0.00 -0.71 0.00 0.00 54.79 53.89 2a3l n ASP 798 Cb 0.09 0.00 0.32 0.00 -1.35 0.00 0.00 41.12 40.18 2a3l n ASP 798 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2a3l n GLY 799 N -0.52 3.65 2.78 6.12 0.00 -0.64 -4.93 105.19 111.64 2a3l n GLY 799 Ca 0.04 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.81 2a3l n GLY 799 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2a3l s ASN 800 N -1.50 2.06 -1.07 1.61 3.84 -0.79 -3.74 114.94 115.35 2a3l s ASN 800 Ca 0.47 -0.33 -0.18 0.00 0.21 0.00 0.00 52.86 53.03 2a3l s ASN 800 Cb 0.37 -0.54 0.13 0.00 -0.55 0.00 0.00 41.25 40.66 2a3l s ASN 800 CO 0.12 -0.22 1.33 -0.62 -2.79 0.00 0.00 177.10 174.92 2a3l s ASP 801 N 1.90 6.78 0.61 -4.21 2.15 -1.26 -4.88 116.67 117.77 2a3l s ASP 801 Ca 0.03 -2.33 0.24 0.00 0.43 0.00 0.00 52.55 50.92 2a3l s ASP 801 Cb -0.14 -2.44 0.85 0.00 -0.30 0.00 0.00 42.92 40.90 2a3l s ASP 801 CO -0.06 -1.02 1.30 -0.29 -0.17 0.00 0.00 175.17 174.93 2a3l h ILE 802 N 5.53 0.02 0.00 4.11 2.10 -1.91 1.32 117.51 128.68 2a3l h ILE 802 Ca 0.24 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.18 2a3l h ILE 802 Cb 0.96 0.04 0.00 0.00 -1.09 0.00 0.00 36.82 36.72 2a3l h ILE 802 CO 1.23 0.00 0.00 1.41 -1.08 0.00 0.00 178.15 179.71 2a3l n HIS 803 N -3.19 0.24 -0.40 2.19 8.25 -1.26 -0.44 115.22 120.61 2a3l n HIS 803 Ca 0.20 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 2a3l n HIS 803 Cb 1.43 -0.65 0.00 0.00 1.12 0.00 0.00 29.99 31.89 2a3l n HIS 803 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2a3l n LYS 804 N -1.72 -0.22 -0.01 -0.41 5.02 0.45 -4.72 118.16 116.54 2a3l n LYS 804 Ca 0.03 -0.26 -0.00 0.00 -2.02 0.00 0.00 58.31 56.06 2a3l n LYS 804 Cb 0.19 -0.74 -0.02 0.00 -0.02 0.00 0.00 35.03 34.44 2a3l n LYS 804 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 2a3l n THR 805 N -0.04 0.11 -1.73 -0.18 5.66 -0.95 -4.56 114.28 112.58 2a3l n THR 805 Ca 0.00 -0.08 -0.19 0.00 -3.05 0.00 0.00 64.05 60.73 2a3l n THR 805 Cb 0.10 -0.56 -0.07 0.00 -1.55 0.00 0.00 70.33 68.26 2a3l n THR 805 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2a3l n ASN 806 N -1.94 -5.20 -4.22 1.09 5.15 0.41 -4.85 115.26 105.70 2a3l n ASN 806 Ca -0.03 0.39 -0.32 0.00 -0.60 0.00 0.00 54.58 54.02 2a3l n ASN 806 Cb 0.43 -4.56 -0.17 0.00 -0.53 0.00 0.00 39.78 34.95 2a3l n ASN 806 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2a3l s VAL 807 N -2.71 2.10 -0.17 3.44 0.11 -1.26 -4.80 120.40 117.12 2a3l s VAL 807 Ca 0.00 -1.00 -0.41 0.00 -2.93 0.00 0.00 61.98 57.64 2a3l s VAL 807 Cb 0.00 -1.81 -0.18 0.00 -1.53 0.00 0.00 36.38 32.87 2a3l s VAL 807 CO 0.00 0.56 1.47 -2.65 -3.33 0.00 0.00 175.10 171.15 2a3l n PRO 808 N 3.57 0.69 -0.04 1.54 -0.02 -1.26 -4.53 135.00 134.96 2a3l n PRO 808 Ca -0.19 0.25 0.23 0.00 -2.02 0.00 0.00 63.50 61.77 2a3l n PRO 808 Cb 0.53 -1.85 0.72 0.00 -0.02 0.00 0.00 33.50 32.88 2a3l n PRO 808 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2a3l h HIS 809 N 5.20 0.00 0.00 6.00 3.86 -1.91 0.26 115.15 128.55 2a3l h HIS 809 Ca -0.47 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 58.71 2a3l h HIS 809 Cb 1.36 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.82 2a3l h HIS 809 CO 0.66 0.00 -0.13 0.97 0.86 0.00 0.00 177.93 180.29 2a3l h ILE 810 N 0.00 0.24 -0.01 2.45 2.10 -1.87 -0.24 117.51 120.19 2a3l h ILE 810 Ca 0.30 -1.15 -0.04 0.00 1.08 0.00 0.00 64.86 65.04 2a3l h ILE 810 Cb 1.30 1.95 0.00 0.00 -1.09 0.00 0.00 36.82 38.98 2a3l h ILE 810 CO -0.00 0.12 -0.15 -0.09 -1.08 0.00 0.00 178.15 176.95 2a3l h ARG 811 N 0.00 0.12 0.00 2.19 9.65 -0.83 -2.36 114.38 123.14 2a3l h ARG 811 Ca -0.00 -0.12 -0.11 0.00 -1.10 0.00 0.00 59.98 58.65 2a3l h ARG 811 Cb 0.94 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.54 2a3l h ARG 811 CO 0.02 0.84 -0.54 -0.24 2.80 0.00 0.00 179.97 182.84 2a3l h VAL 812 N -0.56 1.39 -0.51 0.20 3.04 -1.53 -0.98 116.25 117.29 2a3l h VAL 812 Ca -0.02 -1.87 -0.06 0.00 -1.01 0.00 0.00 66.70 63.74 2a3l h VAL 812 Cb 0.89 2.01 -0.02 0.00 -2.01 0.00 0.00 31.29 32.16 2a3l h VAL 812 CO 0.03 0.53 0.05 -0.08 -1.01 0.00 0.00 177.57 177.10 2a3l h GLU 813 N 0.00 0.82 -0.47 4.17 4.81 -1.06 0.75 114.58 123.61 2a3l h GLU 813 Ca -0.01 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.00 2a3l h GLU 813 Cb 0.97 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 2a3l h GLU 813 CO 0.07 0.79 0.21 0.35 -0.73 0.00 0.00 179.01 179.70 2a3l h PHE 814 N 0.77 0.69 -0.34 0.92 3.57 -0.88 -1.50 116.94 120.16 2a3l h PHE 814 Ca 0.16 -0.04 -0.14 0.00 3.53 0.00 0.00 57.97 61.47 2a3l h PHE 814 Cb 0.39 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2a3l h PHE 814 CO 0.02 0.57 -0.36 0.00 -2.23 0.00 0.00 178.31 176.31 2a3l h ARG 815 N 0.61 0.80 -0.05 1.11 2.47 -0.28 -1.84 114.38 117.21 2a3l h ARG 815 Ca 0.16 -0.40 -0.13 0.00 -1.26 0.00 0.00 59.98 58.35 2a3l h ARG 815 Cb 0.15 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2a3l h ARG 815 CO -0.02 1.03 -0.56 0.22 0.56 0.00 0.00 179.97 181.20 2a3l h ASP 816 N 0.66 0.15 0.95 7.04 3.58 0.67 -2.61 116.42 126.86 2a3l h ASP 816 Ca 0.06 -0.08 -0.22 0.00 0.42 0.00 0.00 57.03 57.21 2a3l h ASP 816 Cb 0.92 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.89 2a3l h ASP 816 CO 0.08 0.68 -1.07 0.00 -2.88 0.00 0.00 179.24 176.05 2a3l h THR 817 N 0.10 1.61 0.00 2.25 1.03 -1.21 -1.32 112.91 115.38 2a3l h THR 817 Ca -0.00 -3.33 -0.18 0.00 -0.01 0.00 0.00 66.41 62.89 2a3l h THR 817 Cb 1.02 2.79 -0.02 0.00 -1.07 0.00 0.00 68.15 70.87 2a3l h THR 817 CO 0.08 0.92 -0.84 -0.29 -0.01 0.00 0.00 175.52 175.38 2a3l h ILE 818 N 0.00 1.60 -0.00 0.00 6.09 -1.29 -1.71 117.51 122.20 2a3l h ILE 818 Ca -0.04 -2.87 -0.00 0.00 -1.37 0.00 0.00 64.86 60.58 2a3l h ILE 818 Cb 1.79 2.55 0.00 0.00 0.47 0.00 0.00 36.82 41.63 2a3l h ILE 818 CO 0.12 0.82 -0.00 -0.25 -3.07 0.00 0.00 178.15 175.77 2a3l h TRP 819 N 0.00 0.00 -0.79 2.19 7.01 -1.51 -1.45 115.95 121.41 2a3l h TRP 819 Ca -0.01 -0.00 0.16 0.00 2.11 0.00 0.00 58.89 61.15 2a3l h TRP 819 Cb 1.49 -0.00 -0.10 0.00 -2.10 0.00 0.00 29.16 28.44 2a3l h TRP 819 CO 0.00 0.72 0.31 -0.22 -2.79 0.00 0.00 178.44 176.46 2a3l h LYS 820 N -0.71 0.41 0.25 2.65 3.64 -1.24 0.55 116.57 122.11 2a3l h LYS 820 Ca -0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 2a3l h LYS 820 Cb 0.72 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2a3l h LYS 820 CO 0.00 0.27 -0.15 1.49 -2.27 0.00 0.00 179.45 178.79 2a3l h GLU 821 N 0.42 -0.37 -0.30 1.90 4.81 -1.28 -0.93 114.58 118.84 2a3l h GLU 821 Ca 0.44 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.70 2a3l h GLU 821 Cb 0.72 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 2a3l h GLU 821 CO -0.44 -0.25 0.20 0.93 -0.73 0.00 0.00 179.01 178.72 2a3l h GLU 822 N -0.38 0.39 -0.70 1.92 4.39 -0.18 0.15 114.58 120.17 2a3l h GLU 822 Ca -0.03 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.77 2a3l h GLU 822 Cb 0.32 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.79 2a3l h GLU 822 CO 0.03 0.26 0.28 0.52 -1.16 0.00 0.00 179.01 178.93 2a3l h MET 823 N 0.40 0.43 -0.55 2.33 2.86 -0.79 0.47 114.93 120.09 2a3l h MET 823 Ca 0.11 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2a3l h MET 823 Cb -0.04 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 2a3l h MET 823 CO -0.03 0.29 0.13 1.96 1.06 0.00 0.00 176.91 180.32 2a3l h GLN 824 N 0.44 0.85 -0.90 1.72 1.08 -0.42 0.74 115.11 118.63 2a3l h GLN 824 Ca 0.37 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2a3l h GLN 824 Cb 0.51 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.77 2a3l h GLN 824 CO -0.36 0.77 0.58 0.37 -0.95 0.00 0.00 178.83 179.23 2a3l h GLN 825 N 0.82 1.20 0.07 1.46 5.75 0.19 -1.72 115.11 122.88 2a3l h GLN 825 Ca 0.18 -0.09 -0.28 0.00 -0.15 0.00 0.00 58.65 58.31 2a3l h GLN 825 Cb 0.30 -0.26 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 2a3l h GLN 825 CO -0.00 0.81 -1.44 -0.24 -2.65 0.00 0.00 178.83 175.31 2a3l h VAL 826 N 1.23 1.22 -0.82 2.39 3.04 -0.65 -3.15 116.25 119.50 2a3l h VAL 826 Ca 0.33 -2.92 -0.49 0.00 -1.01 0.00 0.00 66.70 62.60 2a3l h VAL 826 Cb -0.11 2.71 -0.25 0.00 -2.01 0.00 0.00 31.29 31.64 2a3l h VAL 826 CO -0.07 0.79 0.63 -1.22 -1.01 0.00 0.00 177.57 176.70 2a3l n TYR 827 N -3.35 2.60 -2.10 3.17 4.01 0.20 -4.64 117.16 117.04 2a3l n TYR 827 Ca -0.13 -2.14 0.00 0.00 -0.16 0.00 0.00 57.90 55.48 2a3l n TYR 827 Cb 1.02 -1.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.00 2a3l n TYR 827 CO 0.00 0.00 0.00 1.47 -0.46 0.00 0.00 176.86 177.87 2a3l n LEU 828 N -0.68 0.00 0.00 7.72 -0.00 -0.96 0.25 117.00 123.33 2a3l n LEU 828 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.52 2a3l n LEU 828 Cb 1.06 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.48 2a3l n LEU 828 CO 0.58 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.58 2a3l n GLY 829 N -0.55 3.00 2.97 1.47 0.00 -0.69 -4.97 105.19 106.42 2a3l n GLY 829 Ca 0.00 -0.10 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2a3l n GLY 829 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2a3l n LYS 830 N 0.00 4.54 -2.97 1.61 4.76 0.68 -5.03 118.16 121.75 2a3l n LYS 830 Ca 0.00 -4.57 -0.39 0.00 -2.87 0.00 0.00 58.31 50.49 2a3l n LYS 830 Cb 0.00 -2.50 -0.06 0.00 -1.84 0.00 0.00 35.03 30.63 2a3l n LYS 830 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2a3l s ALA 831 N -2.92 3.41 0.16 7.82 0.00 -1.25 -4.85 121.76 124.12 2a3l s ALA 831 Ca 0.32 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.35 2a3l s ALA 831 Cb 0.06 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 2a3l s ALA 831 CO 0.09 0.28 1.56 0.28 0.00 0.00 0.00 175.76 177.97 2a3l h VAL 832 N 3.12 0.04 0.00 0.00 2.07 -1.94 -3.47 116.25 116.07 2a3l h VAL 832 Ca -0.47 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2a3l h VAL 832 Cb 1.20 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2a3l h VAL 832 CO 0.66 0.00 0.00 -0.38 0.02 0.00 0.00 177.57 177.87 2a3l n ILE 833 N -5.38 0.00 -1.42 4.57 5.41 -1.26 -5.04 119.36 116.25 2a3l n ILE 833 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2a3l n ILE 833 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 2a3l n ILE 833 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2a3l n SER 834 N 4.16 0.00 -1.28 4.38 2.88 -1.26 -4.88 113.62 117.62 2a3l n SER 834 Ca 0.00 0.95 0.09 0.00 -1.33 0.00 0.00 58.87 58.57 2a3l n SER 834 Cb 0.00 -1.42 0.30 0.00 -0.75 0.00 0.00 64.21 62.34 2a3l n SER 834 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2a3l n ASP 835 N 0.60 4.20 -4.00 -3.46 8.00 -1.26 -4.83 116.55 115.80 2a3l n ASP 835 Ca 0.00 -2.38 -0.11 0.00 0.71 0.00 0.00 54.79 53.01 2a3l n ASP 835 Cb 0.00 -0.49 -0.12 0.00 -0.02 0.00 0.00 41.12 40.49 2a3l n ASP 835 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2a3l s GLU 836 N -1.71 0.38 0.00 -1.24 2.02 -1.26 -2.57 118.70 114.32 2a3l s GLU 836 Ca 0.44 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2a3l s GLU 836 Cb 0.28 -0.11 0.00 0.00 0.10 0.00 0.00 34.13 34.40 2a3l s GLU 836 CO 0.22 0.01 0.00 0.28 0.02 0.00 0.00 175.26 175.79 2a3l n VAL 837 N 1.79 0.00 0.00 2.63 0.31 0.15 -4.49 118.33 118.72 2a3l n VAL 837 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2a3l n VAL 837 Cb 0.56 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.88 2a3l n VAL 837 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2a3l n VAL 838 N 0.00 0.00 0.00 2.52 3.14 -1.26 -4.95 118.33 117.78 2a3l n VAL 838 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2a3l n VAL 838 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2a3l n VAL 838 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72