#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a31 n LYS 216 N 0.00 0.56 -3.82 0.38 4.76 0.79 -4.98 118.16 115.85 1a31 n LYS 216 Ca 0.00 -0.07 -0.03 0.00 -2.87 0.00 0.00 58.31 55.34 1a31 n LYS 216 Cb 0.00 -1.20 0.01 0.00 -1.84 0.00 0.00 35.03 31.99 1a31 n LYS 216 CO 0.00 0.00 0.00 1.67 -1.37 0.00 0.00 177.40 177.70 1a31 s TRP 217 N -2.54 -0.01 -0.07 2.13 1.48 -1.25 -4.99 118.94 113.70 1a31 s TRP 217 Ca -0.03 -0.34 -0.02 0.00 -1.06 0.00 0.00 56.10 54.64 1a31 s TRP 217 Cb 0.05 0.67 -0.03 0.00 -1.16 0.00 0.00 33.47 33.00 1a31 s TRP 217 CO 0.35 -0.86 -0.08 1.63 -4.06 0.00 0.00 176.95 173.93 1a31 n LYS 218 N -0.60 0.14 -5.18 3.25 4.76 -1.26 -4.87 118.16 114.40 1a31 n LYS 218 Ca -0.04 0.06 -0.32 0.00 -2.87 0.00 0.00 58.31 55.14 1a31 n LYS 218 Cb 0.60 -0.82 -0.15 0.00 -1.84 0.00 0.00 35.03 32.82 1a31 n LYS 218 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1a31 s PHE 219 N -2.12 2.45 -0.26 2.13 5.36 -1.26 -4.83 117.98 119.44 1a31 s PHE 219 Ca -0.09 -0.37 -0.01 0.00 -0.96 0.00 0.00 56.93 55.50 1a31 s PHE 219 Cb 0.03 -1.54 0.14 0.00 -0.34 0.00 0.00 43.02 41.31 1a31 s PHE 219 CO 0.12 0.02 0.37 -1.17 -1.46 0.00 0.00 175.22 173.10 1a31 s LEU 220 N -0.62 -0.60 -0.10 6.12 2.96 -1.25 0.80 118.68 125.99 1a31 s LEU 220 Ca 0.10 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1a31 s LEU 220 Cb -0.10 0.99 0.01 0.00 0.50 0.00 0.00 46.19 47.59 1a31 s LEU 220 CO -0.00 -0.33 -0.14 -0.70 -1.32 0.00 0.00 176.35 173.85 1a31 s GLU 221 N 2.51 2.03 0.24 1.98 2.12 0.15 -1.38 118.70 126.34 1a31 s GLU 221 Ca 0.11 -0.50 -0.02 0.00 0.36 0.00 0.00 54.97 54.92 1a31 s GLU 221 Cb -0.14 -1.74 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 1a31 s GLU 221 CO -0.23 -0.05 0.24 -3.38 -0.54 0.00 0.00 175.26 171.29 1a31 s HIS 222 N 0.95 1.12 -2.56 5.30 -3.43 -1.26 0.40 115.29 115.81 1a31 s HIS 222 Ca -0.08 -1.31 0.26 0.00 -0.80 0.00 0.00 55.06 53.13 1a31 s HIS 222 Cb -0.15 -0.43 0.85 0.00 -1.43 0.00 0.00 32.58 31.42 1a31 s HIS 222 CO -0.00 -0.77 1.63 1.63 -2.00 0.00 0.00 174.74 175.22 1a31 n LYS 223 N -0.37 1.81 0.00 -0.38 4.76 -1.26 -4.28 118.16 118.44 1a31 n LYS 223 Ca 0.02 -1.19 0.00 0.00 -2.87 0.00 0.00 58.31 54.27 1a31 n LYS 223 Cb 0.64 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 1a31 n LYS 223 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a31 n GLY 224 N 1.21 -1.26 3.79 0.72 0.00 -1.26 -4.79 105.19 103.60 1a31 n GLY 224 Ca 0.18 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 1a31 n GLY 224 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a31 s PRO 225 N -2.07 1.39 -0.30 1.61 0.04 -1.26 -4.99 135.00 129.42 1a31 s PRO 225 Ca 0.00 0.40 -0.08 0.00 0.04 0.00 0.00 61.00 61.36 1a31 s PRO 225 Cb 0.00 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1a31 s PRO 225 CO 0.00 -2.05 0.10 0.08 0.04 0.00 0.00 177.00 175.17 1a31 s VAL 226 N -3.23 4.13 0.51 -0.36 1.01 0.31 -4.98 120.40 117.79 1a31 s VAL 226 Ca 0.63 -0.64 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 1a31 s VAL 226 Cb -0.15 -3.13 -0.08 0.00 0.00 0.00 0.00 36.38 33.02 1a31 s VAL 226 CO 0.54 0.07 1.02 -0.36 0.00 0.00 0.00 175.10 176.36 1a31 s PHE 227 N 1.53 3.14 0.43 5.22 0.40 -1.26 -0.70 117.98 126.74 1a31 s PHE 227 Ca 0.03 1.55 -0.25 0.00 -0.60 0.00 0.00 56.93 57.66 1a31 s PHE 227 Cb -0.17 -2.96 -0.10 0.00 0.51 0.00 0.00 43.02 40.30 1a31 s PHE 227 CO 0.03 -0.67 1.18 0.00 0.70 0.00 0.00 175.22 176.46 1a31 n ALA 228 N -1.27 0.88 -1.76 5.36 0.00 -1.26 -4.88 120.51 117.59 1a31 n ALA 228 Ca 0.08 0.23 -0.39 0.00 0.00 0.00 0.00 53.44 53.37 1a31 n ALA 228 Cb 0.53 -2.20 0.03 0.00 0.00 0.00 0.00 19.45 17.80 1a31 n ALA 228 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1a31 s PRO 229 N -2.20 3.41 0.47 0.00 0.02 -1.26 -4.94 135.00 130.49 1a31 s PRO 229 Ca 0.63 2.21 -0.23 0.00 0.02 0.00 0.00 61.00 63.64 1a31 s PRO 229 Cb -0.52 -2.41 -0.07 0.00 0.02 0.00 0.00 34.50 31.52 1a31 s PRO 229 CO 0.57 -0.97 1.18 -2.14 -0.33 0.00 0.00 177.00 175.31 1a31 s PRO 230 N -2.72 3.68 0.28 5.54 0.02 -1.26 -4.95 135.00 135.60 1a31 s PRO 230 Ca 0.67 1.80 -0.30 0.00 0.02 0.00 0.00 61.00 63.19 1a31 s PRO 230 Cb -0.39 -2.37 -0.12 0.00 0.02 0.00 0.00 34.50 31.63 1a31 s PRO 230 CO 0.48 -0.62 1.59 0.98 -0.33 0.00 0.00 177.00 179.10 1a31 n TYR 231 N -0.58 2.79 -3.56 6.54 9.36 -1.26 -4.97 117.16 125.48 1a31 n TYR 231 Ca 0.08 0.25 -0.41 0.00 3.32 0.00 0.00 57.90 61.14 1a31 n TYR 231 Cb 0.48 -2.59 -0.11 0.00 -0.63 0.00 0.00 39.34 36.49 1a31 n TYR 231 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 1a31 s GLU 232 N -0.36 3.08 0.46 2.98 0.41 -1.26 -5.07 118.70 118.95 1a31 s GLU 232 Ca 0.65 -0.92 -0.24 0.00 -0.41 0.00 0.00 54.97 54.05 1a31 s GLU 232 Cb -0.51 -3.77 -0.08 0.00 -1.78 0.00 0.00 34.13 27.99 1a31 s GLU 232 CO 0.47 -0.61 1.32 -2.30 -0.49 0.00 0.00 175.26 173.65 1a31 n PRO 233 N 5.05 1.93 -1.32 0.39 -0.02 -1.26 -4.94 135.00 134.83 1a31 n PRO 233 Ca -0.12 0.69 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 1a31 n PRO 233 Cb 0.48 -2.49 0.10 0.00 -0.02 0.00 0.00 33.50 31.56 1a31 n PRO 233 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1a31 n LEU 234 N -0.20 3.98 -4.79 2.45 4.77 -1.26 -4.97 117.00 116.98 1a31 n LEU 234 Ca 0.07 0.66 -0.32 0.00 -0.03 0.00 0.00 56.01 56.39 1a31 n LEU 234 Cb 0.42 -1.45 0.04 0.00 -2.33 0.00 0.00 43.42 40.10 1a31 n LEU 234 CO 0.57 -1.86 0.72 -2.84 -1.33 0.00 0.00 177.39 172.66 1a31 s PRO 235 N -3.55 2.92 0.14 3.23 0.02 -1.26 -4.95 135.00 131.55 1a31 s PRO 235 Ca 0.74 1.26 -0.18 0.00 0.02 0.00 0.00 61.00 62.84 1a31 s PRO 235 Cb -0.33 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.24 1a31 s PRO 235 CO 0.50 -1.14 1.73 0.93 -0.33 0.00 0.00 177.00 178.69 1a31 h GLU 236 N -0.05 0.14 -0.43 5.54 4.39 -2.05 -1.60 114.58 120.52 1a31 h GLU 236 Ca -0.46 -0.01 0.11 0.00 0.34 0.00 0.00 59.36 59.34 1a31 h GLU 236 Cb 1.23 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1a31 h GLU 236 CO 0.55 0.09 0.30 -2.95 -1.16 0.00 0.00 179.01 175.85 1a31 h ASN 237 N 0.14 0.06 -3.20 1.42 -1.07 -2.04 -3.39 115.58 107.50 1a31 h ASN 237 Ca 0.14 0.00 -0.57 0.00 0.07 0.00 0.00 56.30 55.94 1a31 h ASN 237 Cb 0.15 -0.01 -0.06 0.00 -2.07 0.00 0.00 38.32 36.34 1a31 h ASN 237 CO -0.19 0.03 0.88 -0.69 0.07 0.00 0.00 177.43 177.54 1a31 s VAL 238 N -5.09 4.39 0.23 6.14 1.01 -0.60 -5.00 120.40 121.48 1a31 s VAL 238 Ca -0.05 1.61 0.09 0.00 0.00 0.00 0.00 61.98 63.63 1a31 s VAL 238 Cb 0.19 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 1a31 s VAL 238 CO 0.72 -0.41 -0.16 -0.54 0.00 0.00 0.00 175.10 174.70 1a31 s LYS 239 N 3.74 1.45 -0.08 2.72 1.02 -1.26 -4.71 119.74 122.63 1a31 s LYS 239 Ca 0.49 -1.65 0.03 0.00 0.02 0.00 0.00 55.97 54.87 1a31 s LYS 239 Cb -0.15 -1.36 -0.01 0.00 -0.52 0.00 0.00 37.83 35.79 1a31 s LYS 239 CO 0.17 0.24 -0.19 0.12 -0.92 0.00 0.00 175.35 174.77 1a31 s PHE 240 N -2.79 2.63 -0.06 3.18 5.36 -1.26 -4.24 117.98 120.80 1a31 s PHE 240 Ca 0.25 -0.60 0.04 0.00 -0.96 0.00 0.00 56.93 55.65 1a31 s PHE 240 Cb -0.02 -1.69 -0.02 0.00 -0.34 0.00 0.00 43.02 40.94 1a31 s PHE 240 CO 0.10 -0.14 -0.16 0.71 -1.46 0.00 0.00 175.22 174.26 1a31 s TYR 241 N -0.09 2.67 -0.10 10.12 1.51 -1.15 -0.82 117.35 129.48 1a31 s TYR 241 Ca -0.04 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.74 1a31 s TYR 241 Cb -0.14 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1a31 s TYR 241 CO 0.04 0.08 -0.15 -0.47 -1.11 0.00 0.00 175.55 173.93 1a31 s TYR 242 N -0.51 1.97 -1.48 2.71 5.04 0.17 -0.24 117.35 125.01 1a31 s TYR 242 Ca 0.07 -0.91 -0.06 0.00 -2.44 0.00 0.00 57.07 53.73 1a31 s TYR 242 Cb -0.12 -1.41 0.04 0.00 0.35 0.00 0.00 41.96 40.83 1a31 s TYR 242 CO 0.01 -0.46 0.58 -3.47 -1.34 0.00 0.00 175.55 170.88 1a31 n ASP 243 N 4.14 -1.52 0.00 4.32 2.03 -0.99 0.13 116.55 124.66 1a31 n ASP 243 Ca -0.19 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.15 1a31 n ASP 243 Cb 0.51 -3.16 0.00 0.00 -0.72 0.00 0.00 41.12 37.75 1a31 n ASP 243 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a31 n GLY 244 N -1.79 2.31 3.78 0.27 0.00 -1.26 -4.98 105.19 103.53 1a31 n GLY 244 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1a31 n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a31 s LYS 245 N 0.00 2.95 0.62 1.61 1.02 0.12 -4.97 119.74 121.09 1a31 s LYS 245 Ca 0.00 1.29 -0.09 0.00 0.02 0.00 0.00 55.97 57.19 1a31 s LYS 245 Cb 0.00 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.32 1a31 s LYS 245 CO 0.00 -1.12 0.98 0.08 -0.92 0.00 0.00 175.35 174.38 1a31 s VAL 246 N -2.46 4.15 -0.30 3.17 1.01 -1.26 0.44 120.40 125.15 1a31 s VAL 246 Ca 0.65 0.47 -0.10 0.00 0.00 0.00 0.00 61.98 62.99 1a31 s VAL 246 Cb -0.18 -3.66 0.17 0.00 0.00 0.00 0.00 36.38 32.70 1a31 s VAL 246 CO 0.42 -0.80 0.84 -0.32 0.00 0.00 0.00 175.10 175.24 1a31 s MET 247 N -5.13 0.39 -0.31 2.72 1.75 -0.00 -4.69 119.30 114.03 1a31 s MET 247 Ca 0.54 0.85 -0.26 0.00 -1.25 0.00 0.00 55.69 55.57 1a31 s MET 247 Cb -0.11 0.50 0.01 0.00 2.84 0.00 0.00 34.83 38.07 1a31 s MET 247 CO 0.50 -0.27 0.94 0.21 -0.65 0.00 0.00 175.02 175.76 1a31 s LYS 248 N 2.75 4.01 0.30 4.11 2.20 -1.26 -4.35 119.74 127.50 1a31 s LYS 248 Ca 0.03 0.85 -0.28 0.00 -0.36 0.00 0.00 55.97 56.21 1a31 s LYS 248 Cb -0.10 -3.73 -0.09 0.00 -1.51 0.00 0.00 37.83 32.39 1a31 s LYS 248 CO -0.17 -0.80 1.00 -0.51 -0.36 0.00 0.00 175.35 174.50 1a31 s LEU 249 N 3.33 4.46 0.50 5.43 1.43 -1.26 -5.01 118.68 127.56 1a31 s LEU 249 Ca 0.39 2.01 -0.22 0.00 -1.03 0.00 0.00 54.13 55.28 1a31 s LEU 249 Cb -0.13 -3.82 -0.08 0.00 0.03 0.00 0.00 46.19 42.19 1a31 s LEU 249 CO 0.14 -0.08 1.04 -1.54 0.23 0.00 0.00 176.35 176.14 1a31 n SER 250 N 0.91 1.30 -0.28 2.29 3.41 -1.26 -4.48 113.62 115.50 1a31 n SER 250 Ca 0.00 0.94 0.10 0.00 -0.26 0.00 0.00 58.87 59.66 1a31 n SER 250 Cb 0.48 -1.40 0.25 0.00 -0.26 0.00 0.00 64.21 63.28 1a31 n SER 250 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1a31 h PRO 251 N 1.17 0.22 -0.11 4.33 0.13 -1.97 1.15 132.00 136.93 1a31 h PRO 251 Ca -0.47 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1a31 h PRO 251 Cb 1.34 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 1a31 h PRO 251 CO 0.55 0.15 -0.08 -0.22 -0.23 0.00 0.00 178.00 178.17 1a31 h LYS 252 N 0.23 0.25 -0.04 0.86 1.63 -1.88 -0.25 116.57 117.37 1a31 h LYS 252 Ca 0.50 -0.12 -0.04 0.00 -0.85 0.00 0.00 60.65 60.15 1a31 h LYS 252 Cb 0.96 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.58 1a31 h LYS 252 CO -0.61 0.62 -0.15 0.00 -3.45 0.00 0.00 179.45 175.87 1a31 h ALA 253 N 0.62 1.68 -0.03 5.00 0.00 -1.37 -1.90 119.26 123.26 1a31 h ALA 253 Ca 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1a31 h ALA 253 Cb 0.56 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1a31 h ALA 253 CO 0.02 0.24 -0.02 1.49 0.00 0.00 0.00 179.25 180.98 1a31 h GLU 254 N 0.06 0.08 -0.45 0.00 4.81 0.16 -2.34 114.58 116.90 1a31 h GLU 254 Ca 0.01 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1a31 h GLU 254 Cb 0.30 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.63 1a31 h GLU 254 CO 0.02 0.49 0.16 1.49 -0.73 0.00 0.00 179.01 180.45 1a31 h GLU 255 N -0.34 0.33 -0.81 1.92 4.81 -0.49 -0.81 114.58 119.18 1a31 h GLU 255 Ca 0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1a31 h GLU 255 Cb 0.47 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.74 1a31 h GLU 255 CO 0.01 0.22 0.47 0.28 -0.73 0.00 0.00 179.01 179.25 1a31 h VAL 256 N 0.33 1.24 -0.32 0.32 2.07 -1.39 -2.23 116.25 116.26 1a31 h VAL 256 Ca 0.21 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.11 1a31 h VAL 256 Cb 0.20 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1a31 h VAL 256 CO -0.21 0.26 -0.06 0.00 0.02 0.00 0.00 177.57 177.57 1a31 h ALA 257 N 1.25 1.29 -0.56 1.67 0.00 -0.73 -1.96 119.26 120.23 1a31 h ALA 257 Ca 0.29 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1a31 h ALA 257 Cb -0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1a31 h ALA 257 CO -0.05 0.47 0.25 1.79 0.00 0.00 0.00 179.25 181.71 1a31 h THR 258 N 0.49 1.19 -0.14 0.00 1.35 -0.57 0.19 112.91 115.42 1a31 h THR 258 Ca 0.10 -0.56 0.04 0.00 -0.55 0.00 0.00 66.41 65.44 1a31 h THR 258 Cb 0.42 0.50 -0.04 0.00 -1.73 0.00 0.00 68.15 67.29 1a31 h THR 258 CO 0.02 0.23 -0.11 -0.26 -0.25 0.00 0.00 175.52 175.15 1a31 h PHE 259 N 0.79 -0.26 -0.53 4.73 0.04 -1.15 0.33 116.94 120.88 1a31 h PHE 259 Ca 0.19 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 1a31 h PHE 259 Cb 0.11 0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1a31 h PHE 259 CO 0.01 -0.16 0.15 0.35 -0.60 0.00 0.00 178.31 178.05 1a31 h PHE 260 N -0.12 0.87 -0.44 -0.55 3.57 -1.20 -3.01 116.94 116.07 1a31 h PHE 260 Ca 0.09 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.54 1a31 h PHE 260 Cb 0.25 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1a31 h PHE 260 CO -0.24 0.76 0.19 0.00 -2.23 0.00 0.00 178.31 176.79 1a31 h ALA 261 N 1.02 0.54 0.00 2.41 0.00 0.34 -1.04 119.26 122.53 1a31 h ALA 261 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1a31 h ALA 261 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1a31 h ALA 261 CO -0.00 -0.18 0.00 1.63 0.00 0.00 0.00 179.25 180.70 1a31 n LYS 262 N -4.95 0.00 -0.16 0.00 5.02 0.11 -2.44 118.16 115.74 1a31 n LYS 262 Ca 0.03 0.35 0.05 0.00 -2.02 0.00 0.00 58.31 56.72 1a31 n LYS 262 Cb 0.13 -1.50 0.14 0.00 -0.02 0.00 0.00 35.03 33.78 1a31 n LYS 262 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1a31 n MET 263 N -1.50 2.74 0.22 1.97 2.81 -0.41 -4.55 117.12 118.41 1a31 n MET 263 Ca 0.02 -1.97 0.15 0.00 -1.81 0.00 0.00 57.70 54.10 1a31 n MET 263 Cb 0.10 -1.25 0.71 0.00 -0.71 0.00 0.00 33.22 32.07 1a31 n MET 263 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1a31 h LEU 264 N 1.91 0.00 -1.08 4.03 3.38 -1.33 0.23 115.31 122.46 1a31 h LEU 264 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a31 h LEU 264 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1a31 h LEU 264 CO 0.00 0.00 0.00 -0.90 0.09 0.00 0.00 178.44 177.63 1a31 n ASP 265 N -2.65 1.64 -4.50 -0.43 5.75 -1.26 -4.90 116.55 110.21 1a31 n ASP 265 Ca -0.00 -1.61 -0.31 0.00 -0.01 0.00 0.00 54.79 52.86 1a31 n ASP 265 Cb 0.18 -0.05 -0.12 0.00 -1.03 0.00 0.00 41.12 40.11 1a31 n ASP 265 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 1a31 s HIS 266 N -1.90 2.64 0.55 2.11 2.46 0.82 -5.02 115.29 116.96 1a31 s HIS 266 Ca 0.35 -0.21 0.26 0.00 0.47 0.00 0.00 55.06 55.93 1a31 s HIS 266 Cb 0.19 -1.46 1.46 0.00 -0.13 0.00 0.00 32.58 32.64 1a31 s HIS 266 CO 0.30 0.32 2.03 1.05 -2.47 0.00 0.00 174.74 175.97 1a31 h GLU 267 N 4.25 0.00 -0.95 2.88 9.09 -1.90 -1.41 114.58 126.53 1a31 h GLU 267 Ca -0.48 0.00 0.22 0.00 0.05 0.00 0.00 59.36 59.14 1a31 h GLU 267 Cb 1.16 0.00 -0.12 0.00 -1.65 0.00 0.00 28.75 28.14 1a31 h GLU 267 CO 0.49 0.00 0.51 1.88 0.05 0.00 0.00 179.01 181.94 1a31 h TYR 268 N 0.00 0.88 0.00 2.06 0.05 -1.95 0.17 116.97 118.18 1a31 h TYR 268 Ca 0.18 0.04 0.00 0.00 0.05 0.00 0.00 58.73 59.00 1a31 h TYR 268 Cb 0.80 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.30 1a31 h TYR 268 CO 0.00 0.07 0.00 0.25 -1.05 0.00 0.00 178.16 177.43 1a31 n THR 269 N -4.92 0.97 1.00 -2.88 -2.24 -0.53 -1.83 114.28 103.85 1a31 n THR 269 Ca 0.24 0.24 0.11 0.00 -2.27 0.00 0.00 64.05 62.37 1a31 n THR 269 Cb 0.65 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 1a31 n THR 269 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1a31 n THR 270 N -1.40 0.00 -3.07 4.28 -2.24 0.61 -4.77 114.28 107.68 1a31 n THR 270 Ca 0.04 -0.28 -0.39 0.00 -2.27 0.00 0.00 64.05 61.15 1a31 n THR 270 Cb 0.12 1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 69.57 1a31 n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1a31 s LYS 271 N -2.45 4.42 0.25 -0.78 1.02 -0.76 -4.97 119.74 116.48 1a31 s LYS 271 Ca 0.19 0.93 -0.01 0.00 0.02 0.00 0.00 55.97 57.10 1a31 s LYS 271 Cb 0.18 -3.36 0.31 0.00 -0.52 0.00 0.00 37.83 34.44 1a31 s LYS 271 CO 0.55 0.30 1.70 0.93 -0.92 0.00 0.00 175.35 177.92 1a31 h GLU 272 N 5.73 0.68 -0.20 1.68 4.39 -1.90 -1.48 114.58 123.48 1a31 h GLU 272 Ca -0.44 -0.24 -0.00 0.00 0.34 0.00 0.00 59.36 59.02 1a31 h GLU 272 Cb 1.20 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1a31 h GLU 272 CO 0.71 0.81 0.12 0.82 -1.16 0.00 0.00 179.01 180.31 1a31 h ILE 273 N 0.61 1.07 0.69 3.13 1.08 -1.93 -1.04 117.51 121.12 1a31 h ILE 273 Ca 0.10 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 64.37 1a31 h ILE 273 Cb 0.62 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 35.20 1a31 h ILE 273 CO 0.04 0.07 -0.37 0.15 -0.69 0.00 0.00 178.15 177.35 1a31 h PHE 274 N 0.25 -0.97 -0.68 1.37 3.04 -1.66 -0.41 116.94 117.88 1a31 h PHE 274 Ca 0.07 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.13 1a31 h PHE 274 Cb 0.01 0.33 -0.09 0.00 2.56 0.00 0.00 35.95 38.76 1a31 h PHE 274 CO -0.05 -0.58 0.19 0.00 -2.02 0.00 0.00 178.31 175.85 1a31 h ARG 275 N -0.98 0.31 0.02 1.11 3.08 -1.17 0.15 114.38 116.90 1a31 h ARG 275 Ca -0.09 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1a31 h ARG 275 Cb 0.77 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1a31 h ARG 275 CO 0.13 0.21 -0.01 0.87 -1.07 0.00 0.00 179.97 180.09 1a31 h LYS 276 N 0.32 -0.03 -0.79 0.04 1.79 -1.10 0.17 116.57 116.98 1a31 h LYS 276 Ca 0.37 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.89 1a31 h LYS 276 Cb 0.56 0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 31.16 1a31 h LYS 276 CO -0.42 0.31 0.49 -0.91 -1.08 0.00 0.00 179.45 177.84 1a31 h ASN 277 N -0.37 0.77 0.04 0.86 2.35 -0.60 -0.07 115.58 118.56 1a31 h ASN 277 Ca -0.00 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1a31 h ASN 277 Cb 0.35 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.57 1a31 h ASN 277 CO 0.00 0.51 -0.02 0.15 -1.65 0.00 0.00 177.43 176.43 1a31 h PHE 278 N 0.91 -0.05 -0.20 1.19 3.57 -0.49 -2.15 116.94 119.73 1a31 h PHE 278 Ca 0.34 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.88 1a31 h PHE 278 Cb 0.12 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.82 1a31 h PHE 278 CO -0.04 0.20 -0.13 0.35 -2.23 0.00 0.00 178.31 176.46 1a31 h PHE 279 N -0.30 -0.33 -0.14 0.41 3.57 0.04 0.19 116.94 120.39 1a31 h PHE 279 Ca -0.01 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.53 1a31 h PHE 279 Cb 0.27 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1a31 h PHE 279 CO 0.01 -0.20 0.06 -0.22 -2.23 0.00 0.00 178.31 175.73 1a31 h LYS 280 N -0.13 0.13 -0.41 1.11 3.64 -1.04 -1.76 116.57 118.12 1a31 h LYS 280 Ca 0.12 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.41 1a31 h LYS 280 Cb 0.30 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1a31 h LYS 280 CO -0.28 0.09 -0.05 -0.44 -2.27 0.00 0.00 179.45 176.50 1a31 h ASP 281 N 0.14 0.66 -0.41 4.20 3.32 -1.10 -2.56 116.42 120.67 1a31 h ASP 281 Ca 0.06 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.94 1a31 h ASP 281 Cb 0.02 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1a31 h ASP 281 CO -0.05 0.76 0.26 -0.25 -1.72 0.00 0.00 179.24 178.24 1a31 h TRP 282 N 0.63 0.53 -0.72 4.55 7.01 -0.30 -2.52 115.95 125.14 1a31 h TRP 282 Ca 0.12 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.17 1a31 h TRP 282 Cb 0.47 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.31 1a31 h TRP 282 CO 0.02 0.36 0.47 0.00 -2.79 0.00 0.00 178.44 176.51 1a31 h ARG 283 N 0.55 0.80 0.00 2.65 3.08 -0.93 -0.76 114.38 119.77 1a31 h ARG 283 Ca 0.15 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1a31 h ARG 283 Cb -0.03 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1a31 h ARG 283 CO -0.03 0.53 0.00 0.87 -1.07 0.00 0.00 179.97 180.27 1a31 h LYS 284 N 0.83 0.00 -0.00 0.04 1.57 -1.13 -1.34 116.57 116.53 1a31 h LYS 284 Ca 0.30 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 1a31 h LYS 284 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 1a31 h LYS 284 CO -0.09 0.00 -0.77 0.39 -0.57 0.00 0.00 179.45 178.41 1a31 n GLU 285 N -2.30 1.11 -1.62 3.15 -0.58 -0.31 -4.99 120.64 115.09 1a31 n GLU 285 Ca -0.00 -0.16 -0.30 0.00 -0.42 0.00 0.00 57.16 56.27 1a31 n GLU 285 Cb 0.10 -1.36 0.07 0.00 -0.57 0.00 0.00 31.44 29.69 1a31 n GLU 285 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1a31 s MET 286 N -2.61 2.54 0.90 3.49 -1.94 -0.51 -4.16 119.30 117.01 1a31 s MET 286 Ca 0.08 0.72 -0.13 0.00 -1.71 0.00 0.00 55.69 54.66 1a31 s MET 286 Cb 0.14 -1.96 0.14 0.00 2.01 0.00 0.00 34.83 35.15 1a31 s MET 286 CO 0.70 -1.32 1.17 0.95 -0.01 0.00 0.00 175.02 176.50 1a31 s THR 287 N -3.15 1.98 0.42 2.05 -4.23 -1.26 -4.87 115.64 106.58 1a31 s THR 287 Ca 0.59 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 61.20 1a31 s THR 287 Cb -0.14 -2.83 0.23 0.00 1.34 0.00 0.00 72.50 71.10 1a31 s THR 287 CO 0.54 0.00 2.03 0.78 -0.54 0.00 0.00 174.62 177.43 1a31 h ASN 288 N -1.45 0.32 0.28 3.99 -0.26 -1.96 -2.43 115.58 114.05 1a31 h ASN 288 Ca -0.48 -0.03 -0.20 0.00 -0.56 0.00 0.00 56.30 55.03 1a31 h ASN 288 Cb 1.32 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 38.50 1a31 h ASN 288 CO 0.59 0.30 -0.82 -0.33 -1.06 0.00 0.00 177.43 176.11 1a31 h GLU 289 N 0.36 0.42 -0.43 0.81 5.08 -1.99 -2.95 114.58 115.88 1a31 h GLU 289 Ca 0.09 -0.39 -0.06 0.00 -1.00 0.00 0.00 59.36 58.00 1a31 h GLU 289 Cb 0.09 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1a31 h GLU 289 CO -0.01 1.04 0.02 0.93 -1.00 0.00 0.00 179.01 179.99 1a31 h GLU 290 N 0.27 0.68 -0.54 2.33 5.08 -1.80 -1.28 114.58 119.32 1a31 h GLU 290 Ca -0.05 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1a31 h GLU 290 Cb 1.42 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1a31 h GLU 290 CO 0.14 0.68 0.10 0.87 -1.00 0.00 0.00 179.01 179.80 1a31 h LYS 291 N 0.64 0.88 -0.54 2.33 1.57 -1.48 0.31 116.57 120.29 1a31 h LYS 291 Ca 0.13 -0.23 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1a31 h LYS 291 Cb 0.37 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 1a31 h LYS 291 CO 0.01 0.85 0.11 -0.91 -0.57 0.00 0.00 179.45 178.94 1a31 h ASN 292 N 0.77 0.79 0.00 0.86 2.35 -1.24 -3.35 115.58 115.76 1a31 h ASN 292 Ca 0.16 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1a31 h ASN 292 Cb 0.39 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.55 1a31 h ASN 292 CO 0.01 0.79 -0.17 0.40 -1.65 0.00 0.00 177.43 176.81 1a31 h ILE 293 N 0.81 0.00 -1.75 2.81 2.04 -0.90 -3.43 117.51 117.09 1a31 h ILE 293 Ca 0.17 -0.59 -0.47 0.00 1.00 0.00 0.00 64.86 64.96 1a31 h ILE 293 Cb 0.33 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 1a31 h ILE 293 CO 0.00 0.00 1.19 -0.63 0.00 0.00 0.00 178.15 178.71 1a31 s ILE 294 N -1.56 3.48 0.00 -0.67 1.01 0.11 -4.67 121.20 118.90 1a31 s ILE 294 Ca -0.05 0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1a31 s ILE 294 Cb 0.01 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1a31 s ILE 294 CO 0.07 -1.17 0.30 0.35 0.00 0.00 0.00 174.94 174.49 1a31 n THR 295 N 7.16 0.00 -3.78 2.92 -2.24 -1.26 -4.68 114.28 112.39 1a31 n THR 295 Ca 0.22 -0.40 -0.26 0.00 -2.27 0.00 0.00 64.05 61.34 1a31 n THR 295 Cb 0.50 1.16 -0.17 0.00 -2.10 0.00 0.00 70.33 69.72 1a31 n THR 295 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1a31 s ASN 296 N -0.20 2.46 0.28 3.42 3.84 -1.26 -4.99 114.94 118.49 1a31 s ASN 296 Ca 0.00 -0.54 -0.01 0.00 0.21 0.00 0.00 52.86 52.52 1a31 s ASN 296 Cb 0.00 -0.62 0.47 0.00 -0.55 0.00 0.00 41.25 40.55 1a31 s ASN 296 CO 0.00 -0.24 1.89 0.25 -2.79 0.00 0.00 177.10 176.21 1a31 h LEU 297 N 8.24 0.98 -0.26 3.21 5.85 -1.96 -0.09 115.31 131.28 1a31 h LEU 297 Ca -0.19 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1a31 h LEU 297 Cb 1.12 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1a31 h LEU 297 CO 0.33 0.62 0.00 -1.54 -0.34 0.00 0.00 178.44 177.51 1a31 n SER 298 N -4.50 0.11 -0.37 1.25 3.41 -1.26 -0.27 113.62 111.99 1a31 n SER 298 Ca 0.15 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.40 1a31 n SER 298 Cb 0.20 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.57 1a31 n SER 298 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a31 n LYS 299 N -1.65 1.33 -2.98 4.33 5.02 -0.05 -4.94 118.16 119.22 1a31 n LYS 299 Ca 0.00 -0.77 -0.39 0.00 -2.02 0.00 0.00 58.31 55.14 1a31 n LYS 299 Cb 0.04 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1a31 n LYS 299 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a31 s ASP 301 N -1.24 4.71 0.00 0.00 2.15 0.67 -4.92 116.67 118.04 1a31 s ASP 301 Ca 0.37 -1.68 0.23 0.00 0.43 0.00 0.00 52.55 51.91 1a31 s ASP 301 Cb -0.22 -1.63 0.49 0.00 -0.30 0.00 0.00 42.92 41.25 1a31 s ASP 301 CO 0.26 -0.30 1.44 0.49 -0.17 0.00 0.00 175.17 176.89 1a31 n PHE 302 N 4.43 0.62 -0.02 -5.34 3.72 -1.26 -2.95 117.46 116.66 1a31 n PHE 302 Ca -0.07 -0.31 -0.09 0.00 -0.05 0.00 0.00 57.45 56.93 1a31 n PHE 302 Cb 0.42 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.94 1a31 n PHE 302 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1a31 h THR 303 N 4.45 0.66 -0.81 4.37 1.35 -1.91 0.21 112.91 121.23 1a31 h THR 303 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1a31 h THR 303 Cb 0.99 0.66 -0.04 0.00 -1.73 0.00 0.00 68.15 68.03 1a31 h THR 303 CO 0.00 0.00 0.50 1.56 -0.25 0.00 0.00 175.52 177.33 1a31 h GLN 304 N -0.12 1.09 -0.57 4.72 4.20 -1.82 0.39 115.11 123.00 1a31 h GLN 304 Ca 0.10 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1a31 h GLN 304 Cb 0.27 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1a31 h GLN 304 CO -0.24 0.75 0.29 0.52 -0.67 0.00 0.00 178.83 179.48 1a31 h MET 305 N 1.11 0.81 -0.43 1.46 2.86 -1.64 -1.94 114.93 117.16 1a31 h MET 305 Ca 0.29 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.82 1a31 h MET 305 Cb -0.07 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 1a31 h MET 305 CO -0.06 0.64 0.26 1.03 1.06 0.00 0.00 176.91 179.84 1a31 h SER 306 N 0.77 0.52 -0.50 1.22 0.87 0.01 -2.21 113.55 114.22 1a31 h SER 306 Ca 0.20 -0.06 0.05 0.00 -1.23 0.00 0.00 61.79 60.74 1a31 h SER 306 Cb 0.09 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 1a31 h SER 306 CO -0.03 0.42 0.25 -0.61 -0.53 0.00 0.00 176.83 176.34 1a31 h GLN 307 N 0.57 0.47 0.56 2.24 4.15 0.28 -2.30 115.11 121.08 1a31 h GLN 307 Ca 0.15 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 1a31 h GLN 307 Cb 0.00 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1a31 h GLN 307 CO -0.03 0.31 -0.51 -0.92 -1.93 0.00 0.00 178.83 175.75 1a31 h TYR 308 N 0.49 -1.41 -0.95 3.99 3.20 -0.94 0.22 116.97 121.56 1a31 h TYR 308 Ca 0.22 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.17 1a31 h TYR 308 Cb 0.14 0.54 -0.07 0.00 1.54 0.00 0.00 36.73 38.88 1a31 h TYR 308 CO -0.11 -0.69 0.60 0.74 -1.64 0.00 0.00 178.16 177.07 1a31 h PHE 309 N -1.06 1.12 -0.65 -3.82 0.04 -1.35 0.18 116.94 111.39 1a31 h PHE 309 Ca -0.07 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.75 1a31 h PHE 309 Cb 0.90 -0.36 -0.04 0.00 2.20 0.00 0.00 35.95 38.65 1a31 h PHE 309 CO -0.23 0.55 0.41 0.87 -0.60 0.00 0.00 178.31 179.31 1a31 h LYS 310 N 1.08 0.80 0.08 1.51 1.57 -1.14 0.99 116.57 121.46 1a31 h LYS 310 Ca 0.42 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.16 1a31 h LYS 310 Cb 0.21 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1a31 h LYS 310 CO -0.19 0.53 -0.13 0.00 -0.57 0.00 0.00 179.45 179.09 1a31 h ALA 311 N 1.26 -0.22 -0.99 3.86 0.00 0.39 -0.83 119.26 122.73 1a31 h ALA 311 Ca 0.25 -0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.31 1a31 h ALA 311 Cb -0.03 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 17.86 1a31 h ALA 311 CO -0.08 -0.65 0.61 1.96 0.00 0.00 0.00 179.25 181.08 1a31 h GLN 312 N -0.26 0.80 -0.61 0.00 1.08 0.74 0.13 115.11 116.99 1a31 h GLN 312 Ca 0.02 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1a31 h GLN 312 Cb 0.28 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.50 1a31 h GLN 312 CO -0.07 0.53 0.09 1.15 -0.95 0.00 0.00 178.83 179.58 1a31 h THR 313 N 0.82 1.26 -0.62 -0.54 2.02 -0.12 -2.00 112.91 113.74 1a31 h THR 313 Ca 0.55 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1a31 h THR 313 Cb 0.76 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 1a31 h THR 313 CO -0.35 0.38 0.40 -0.08 0.37 0.00 0.00 175.52 176.23 1a31 h GLU 314 N 0.93 0.83 -0.14 6.66 4.57 0.60 -2.13 114.58 125.89 1a31 h GLU 314 Ca 0.18 -0.06 0.04 0.00 -1.18 0.00 0.00 59.36 58.35 1a31 h GLU 314 Cb 0.44 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 28.80 1a31 h GLU 314 CO 0.01 0.57 -0.17 0.00 -1.18 0.00 0.00 179.01 178.25 1a31 h ALA 315 N 1.21 -0.08 -0.01 2.92 0.00 -0.72 0.34 119.26 122.91 1a31 h ALA 315 Ca 0.23 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1a31 h ALA 315 Cb -0.06 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1a31 h ALA 315 CO -0.05 -0.61 0.01 0.07 0.00 0.00 0.00 179.25 178.67 1a31 h ARG 316 N -0.20 0.00 -0.03 0.00 -0.00 -0.97 -1.26 114.38 111.92 1a31 h ARG 316 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 59.98 59.99 1a31 h ARG 316 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.32 1a31 h ARG 316 CO -0.26 0.00 -0.33 1.57 -0.00 0.00 0.00 179.97 180.95 1a31 h LYS 317 N 0.00 0.27 -3.13 0.08 2.10 0.01 -3.33 116.57 112.57 1a31 h LYS 317 Ca 0.01 -0.25 -0.74 0.00 -2.00 0.00 0.00 60.65 57.67 1a31 h LYS 317 Cb 0.03 0.06 -0.11 0.00 -0.90 0.00 0.00 32.23 31.31 1a31 h LYS 317 CO -0.00 0.94 2.51 1.04 -2.00 0.00 0.00 179.45 181.94 1a31 n GLN 318 N -4.44 3.96 -4.39 0.07 1.13 0.87 -4.94 117.38 109.64 1a31 n GLN 318 Ca -0.09 -3.26 -0.28 0.00 -1.94 0.00 0.00 57.00 51.43 1a31 n GLN 318 Cb 0.52 -2.82 -0.12 0.00 0.11 0.00 0.00 30.24 27.93 1a31 n GLN 318 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1a31 s MET 319 N 0.23 1.48 0.50 -1.09 -1.94 -1.20 -4.87 119.30 112.41 1a31 s MET 319 Ca 0.50 -1.40 -0.21 0.00 -1.71 0.00 0.00 55.69 52.87 1a31 s MET 319 Cb 0.15 -1.90 -0.07 0.00 2.01 0.00 0.00 34.83 35.02 1a31 s MET 319 CO -0.05 0.43 1.12 -1.54 -0.01 0.00 0.00 175.02 174.97 1a31 s SER 320 N -2.31 6.03 0.44 3.03 1.04 -1.26 -4.81 113.70 115.87 1a31 s SER 320 Ca 0.17 2.16 0.11 0.00 0.48 0.00 0.00 55.95 58.87 1a31 s SER 320 Cb -0.09 -2.58 1.00 0.00 0.10 0.00 0.00 66.02 64.44 1a31 s SER 320 CO 0.08 -1.00 2.06 0.11 0.98 0.00 0.00 173.24 175.47 1a31 h LYS 321 N 1.60 0.38 -0.56 4.02 1.57 -2.00 0.59 116.57 122.18 1a31 h LYS 321 Ca -0.50 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.23 1a31 h LYS 321 Cb 1.25 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1a31 h LYS 321 CO 0.59 0.25 0.22 1.49 -0.57 0.00 0.00 179.45 181.42 1a31 h GLU 322 N 0.39 0.84 0.69 3.15 4.81 -2.00 0.32 114.58 122.78 1a31 h GLU 322 Ca 0.15 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1a31 h GLU 322 Cb 0.11 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.36 1a31 h GLU 322 CO -0.03 0.73 -0.33 0.93 -0.73 0.00 0.00 179.01 179.58 1a31 h GLU 323 N 0.77 -0.89 -0.73 1.92 5.08 -0.82 -3.05 114.58 116.86 1a31 h GLU 323 Ca 0.19 0.06 0.16 0.00 -1.00 0.00 0.00 59.36 58.77 1a31 h GLU 323 Cb 0.21 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 29.55 1a31 h GLU 323 CO -0.01 -0.57 0.15 0.87 -1.00 0.00 0.00 179.01 178.45 1a31 h LYS 324 N -1.13 0.23 -0.69 2.33 1.57 0.16 -2.19 116.57 116.84 1a31 h LYS 324 Ca -0.09 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1a31 h LYS 324 Cb 0.74 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 1a31 h LYS 324 CO 0.16 0.15 0.19 1.25 -0.57 0.00 0.00 179.45 180.62 1a31 h LEU 325 N 0.24 1.02 0.48 2.94 5.85 -0.99 -1.53 115.31 123.32 1a31 h LEU 325 Ca 0.41 -0.20 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1a31 h LEU 325 Cb 0.70 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 1a31 h LEU 325 CO -0.53 0.97 -0.43 0.11 -0.34 0.00 0.00 178.44 178.23 1a31 h LYS 326 N 1.04 -0.86 -0.87 1.25 6.56 -1.27 0.16 116.57 122.58 1a31 h LYS 326 Ca 0.22 0.06 0.05 0.00 -1.06 0.00 0.00 60.65 59.92 1a31 h LYS 326 Cb 0.34 0.19 -0.05 0.00 -0.57 0.00 0.00 32.23 32.14 1a31 h LYS 326 CO -0.00 -0.57 0.57 0.82 -2.06 0.00 0.00 179.45 178.21 1a31 h ILE 327 N -0.89 1.10 -0.85 1.86 2.04 -1.55 0.46 117.51 119.68 1a31 h ILE 327 Ca -0.06 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1a31 h ILE 327 Cb 0.76 -0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1a31 h ILE 327 CO -0.02 0.19 0.56 0.50 0.00 0.00 0.00 178.15 179.37 1a31 h LYS 328 N 1.03 1.12 -0.01 2.37 3.64 -0.63 0.46 116.57 124.55 1a31 h LYS 328 Ca 0.36 -0.07 -0.19 0.00 -1.27 0.00 0.00 60.65 59.48 1a31 h LYS 328 Cb 0.13 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1a31 h LYS 328 CO -0.12 0.75 -0.83 0.93 -2.27 0.00 0.00 179.45 177.90 1a31 h GLU 329 N 1.15 0.22 -0.93 1.90 4.39 0.20 -2.06 114.58 119.45 1a31 h GLU 329 Ca 0.31 -0.22 0.02 0.00 0.34 0.00 0.00 59.36 59.82 1a31 h GLU 329 Cb -0.12 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.53 1a31 h GLU 329 CO -0.07 0.93 0.61 0.93 -1.16 0.00 0.00 179.01 180.25 1a31 h GLU 330 N 0.13 1.18 -0.11 2.33 3.07 0.17 0.07 114.58 121.42 1a31 h GLU 330 Ca -0.04 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.36 58.59 1a31 h GLU 330 Cb 1.44 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 1a31 h GLU 330 CO 0.13 0.78 -0.61 -0.91 -1.40 0.00 0.00 179.01 177.00 1a31 h ASN 331 N 1.21 0.42 0.84 1.42 4.21 -0.06 -2.88 115.58 120.74 1a31 h ASN 331 Ca 0.35 -0.24 -0.05 0.00 1.21 0.00 0.00 56.30 57.57 1a31 h ASN 331 Cb -0.07 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 37.00 1a31 h ASN 331 CO -0.09 0.92 -0.24 -0.08 -1.29 0.00 0.00 177.43 176.65 1a31 h GLU 332 N 0.27 0.00 0.00 0.81 4.81 -0.29 -2.53 114.58 117.65 1a31 h GLU 332 Ca -0.01 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 1a31 h GLU 332 Cb 1.14 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1a31 h GLU 332 CO 0.10 0.24 -0.63 0.87 -0.73 0.00 0.00 179.01 178.86 1a31 h LYS 333 N 0.00 0.00 0.00 1.92 1.57 -1.05 -1.43 116.57 117.59 1a31 h LYS 333 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 1a31 h LYS 333 Cb 0.73 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.04 1a31 h LYS 333 CO 0.03 0.63 -0.37 1.25 -0.57 0.00 0.00 179.45 180.43 1a31 h LEU 334 N 0.00 0.32 -0.91 2.94 5.85 -1.40 -2.96 115.31 119.15 1a31 h LEU 334 Ca -0.01 -0.78 -0.08 0.00 0.84 0.00 0.00 57.88 57.85 1a31 h LEU 334 Cb 1.29 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1a31 h LEU 334 CO 0.08 1.06 -0.10 0.25 -0.34 0.00 0.00 178.44 179.39 1a31 h LEU 335 N -0.38 0.68 -0.96 2.25 7.12 -1.47 0.89 115.31 123.43 1a31 h LEU 335 Ca -0.05 -0.19 -0.11 0.00 0.13 0.00 0.00 57.88 57.67 1a31 h LEU 335 Cb 1.11 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 41.05 1a31 h LEU 335 CO 0.07 0.81 -0.42 0.11 -0.13 0.00 0.00 178.44 178.88 1a31 h LYS 336 N 0.64 0.20 0.01 1.25 1.57 -1.35 0.34 116.57 119.22 1a31 h LYS 336 Ca 0.11 -0.10 -0.19 0.00 -1.87 0.00 0.00 60.65 58.60 1a31 h LYS 336 Cb 0.54 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1a31 h LYS 336 CO 0.03 0.59 -1.04 0.93 -0.57 0.00 0.00 179.45 179.39 1a31 h GLU 337 N 0.17 0.01 -0.02 3.15 5.08 -1.21 -3.41 114.58 118.35 1a31 h GLU 337 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1a31 h GLU 337 Cb 0.82 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1a31 h GLU 337 CO 0.06 1.01 -0.36 0.66 -1.00 0.00 0.00 179.01 179.39 1a31 n TYR 338 N -4.43 0.00 1.14 4.33 4.02 0.30 -4.45 117.16 118.08 1a31 n TYR 338 Ca -0.28 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 57.72 1a31 n TYR 338 Cb 0.66 0.00 0.35 0.00 -0.02 0.00 0.00 39.34 40.33 1a31 n TYR 338 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1a31 n GLY 339 N 1.35 0.42 3.13 2.72 0.00 0.11 -4.81 105.19 108.11 1a31 n GLY 339 Ca 0.10 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 1a31 n GLY 339 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a31 s PHE 340 N -1.76 0.74 0.28 1.61 0.40 -1.25 0.23 117.98 118.22 1a31 s PHE 340 Ca 0.33 -0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 55.72 1a31 s PHE 340 Cb 0.18 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 43.24 1a31 s PHE 340 CO 0.27 -0.20 0.38 0.00 0.70 0.00 0.00 175.22 176.36 1a31 s ILE 342 N -3.62 2.63 -0.16 0.00 1.01 0.16 0.21 121.20 121.42 1a31 s ILE 342 Ca 0.31 -1.14 -0.01 0.00 0.00 0.00 0.00 60.65 59.81 1a31 s ILE 342 Cb 0.01 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 40.13 1a31 s ILE 342 CO 0.16 0.19 -0.13 -0.32 0.00 0.00 0.00 174.94 174.84 1a31 s MET 343 N 1.27 3.28 6.00 2.79 1.75 -0.62 0.29 119.30 134.07 1a31 s MET 343 Ca -0.01 -0.71 0.00 0.00 -1.25 0.00 0.00 55.69 53.72 1a31 s MET 343 Cb -0.17 -2.71 0.00 0.00 2.84 0.00 0.00 34.83 34.79 1a31 s MET 343 CO -0.06 0.00 0.00 -0.25 -0.65 0.00 0.00 175.02 174.07 1a31 n ASP 344 N 4.12 0.00 0.08 1.11 8.00 0.24 -2.57 116.55 127.54 1a31 n ASP 344 Ca -0.19 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.29 1a31 n ASP 344 Cb 0.52 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 1a31 n ASP 344 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 1a31 h ASN 345 N 0.00 0.00 -2.00 -2.24 2.35 -1.95 -3.45 115.58 108.29 1a31 h ASN 345 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 1a31 h ASN 345 Cb 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.30 1a31 h ASN 345 CO 0.00 0.72 -0.54 -1.00 -1.65 0.00 0.00 177.43 174.96 1a31 s HIS 346 N -2.84 2.82 0.29 1.19 3.76 -1.06 -5.10 115.29 114.34 1a31 s HIS 346 Ca 0.01 -0.28 -0.20 0.00 -0.15 0.00 0.00 55.06 54.44 1a31 s HIS 346 Cb 0.09 -1.54 -0.09 0.00 1.11 0.00 0.00 32.58 32.15 1a31 s HIS 346 CO 0.79 0.40 0.79 -1.59 -0.85 0.00 0.00 174.74 174.28 1a31 s LYS 347 N -3.84 4.24 0.10 1.40 0.00 -1.26 -1.58 119.74 118.79 1a31 s LYS 347 Ca 0.36 0.93 0.05 0.00 0.00 0.00 0.00 55.97 57.30 1a31 s LYS 347 Cb -0.05 -2.65 -0.03 0.00 0.00 0.00 0.00 37.83 35.09 1a31 s LYS 347 CO 0.23 0.25 -0.12 -1.21 0.00 0.00 0.00 175.35 174.51 1a31 s GLU 348 N -2.42 0.88 0.08 1.78 0.41 0.56 -4.90 118.70 115.09 1a31 s GLU 348 Ca 0.50 -1.12 -0.20 0.00 -0.41 0.00 0.00 54.97 53.74 1a31 s GLU 348 Cb -0.14 -0.69 -0.07 0.00 -1.78 0.00 0.00 34.13 31.45 1a31 s GLU 348 CO 0.19 0.13 0.58 0.50 -0.49 0.00 0.00 175.26 176.17 1a31 s ARG 349 N -2.48 4.22 -0.15 1.61 6.06 -1.26 0.45 118.95 127.40 1a31 s ARG 349 Ca 0.04 0.76 -0.08 0.00 -2.50 0.00 0.00 55.73 53.95 1a31 s ARG 349 Cb -0.05 -3.24 -0.04 0.00 0.06 0.00 0.00 34.95 31.67 1a31 s ARG 349 CO 0.01 0.64 0.13 0.42 -2.50 0.00 0.00 175.30 174.00 1a31 s ILE 350 N -1.10 5.42 0.01 4.11 1.01 0.13 -1.20 121.20 129.59 1a31 s ILE 350 Ca 0.29 0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.86 1a31 s ILE 350 Cb -0.20 -3.40 -0.15 0.00 0.01 0.00 0.00 42.46 38.72 1a31 s ILE 350 CO 0.19 0.56 1.14 0.00 0.00 0.00 0.00 174.94 176.83 1a31 h ALA 351 N 5.59 -0.85 -3.11 9.38 0.00 -1.14 -3.42 119.26 125.70 1a31 h ALA 351 Ca -0.50 -0.20 -0.59 0.00 0.00 0.00 0.00 54.91 53.62 1a31 h ALA 351 Cb 1.20 0.33 -0.40 0.00 0.00 0.00 0.00 17.79 18.92 1a31 h ALA 351 CO 0.64 -0.83 -0.76 0.54 0.00 0.00 0.00 179.25 178.84 1a31 s ASN 352 N -4.57 3.95 0.00 0.00 4.22 -1.26 -4.98 114.94 112.30 1a31 s ASN 352 Ca -0.14 -1.77 0.25 0.00 -2.14 0.00 0.00 52.86 49.06 1a31 s ASN 352 Cb 0.02 -0.86 0.49 0.00 1.28 0.00 0.00 41.25 42.18 1a31 s ASN 352 CO 0.45 -0.40 1.40 2.22 -2.04 0.00 0.00 177.10 178.73 1a31 n PHE 353 N 4.67 0.00 -3.78 1.54 1.16 -1.26 -4.57 117.46 115.22 1a31 n PHE 353 Ca -0.00 0.00 -0.37 0.00 -1.87 0.00 0.00 57.45 55.21 1a31 n PHE 353 Cb 0.41 -0.18 -0.06 0.00 -1.61 0.00 0.00 39.48 38.04 1a31 n PHE 353 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 1a31 s LYS 354 N -2.83 3.59 0.30 3.97 1.02 -1.26 -0.53 119.74 124.00 1a31 s LYS 354 Ca 0.15 -0.01 -0.29 0.00 0.02 0.00 0.00 55.97 55.84 1a31 s LYS 354 Cb 0.18 -3.21 -0.10 0.00 -0.52 0.00 0.00 37.83 34.18 1a31 s LYS 354 CO 0.66 0.73 1.15 0.42 -0.92 0.00 0.00 175.35 177.39 1a31 s ILE 355 N -0.96 3.28 0.08 2.17 -1.09 0.12 -4.88 121.20 119.92 1a31 s ILE 355 Ca 0.17 1.28 -0.32 0.00 -2.23 0.00 0.00 60.65 59.55 1a31 s ILE 355 Cb -0.13 -3.81 -0.11 0.00 -1.58 0.00 0.00 42.46 36.84 1a31 s ILE 355 CO 0.06 0.29 1.86 -0.62 -1.23 0.00 0.00 174.94 175.30 1a31 n GLU 356 N 1.02 2.68 -1.25 2.79 1.02 -1.26 -4.40 120.64 121.25 1a31 n GLU 356 Ca -0.01 0.98 -0.32 0.00 -0.02 0.00 0.00 57.16 57.79 1a31 n GLU 356 Cb 0.44 -2.87 0.10 0.00 -0.02 0.00 0.00 31.44 29.10 1a31 n GLU 356 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 1a31 s PRO 357 N 3.14 1.97 0.78 3.49 0.02 -1.26 -4.69 135.00 138.45 1a31 s PRO 357 Ca 0.85 1.51 -0.12 0.00 0.02 0.00 0.00 61.00 63.25 1a31 s PRO 357 Cb -0.51 -1.84 0.07 0.00 0.02 0.00 0.00 34.50 32.23 1a31 s PRO 357 CO 0.40 -1.91 1.14 -1.25 -0.33 0.00 0.00 177.00 175.05 1a31 s PRO 358 N -4.36 1.99 0.00 5.54 0.04 -1.26 -4.95 135.00 132.00 1a31 s PRO 358 Ca 0.68 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1a31 s PRO 358 Cb -0.23 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1a31 s PRO 358 CO 0.50 -1.89 0.00 0.41 0.04 0.00 0.00 177.00 176.07 1a31 n GLY 359 N -0.31 -1.45 3.80 0.56 0.00 -1.07 -4.99 105.19 101.73 1a31 n GLY 359 Ca 0.11 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.70 1a31 n GLY 359 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a31 s LEU 360 N 0.00 4.37 -0.02 0.99 1.43 -1.26 -0.56 118.68 123.63 1a31 s LEU 360 Ca 0.00 0.69 -0.30 0.00 -1.03 0.00 0.00 54.13 53.49 1a31 s LEU 360 Cb 0.00 -2.40 -0.06 0.00 0.03 0.00 0.00 46.19 43.75 1a31 s LEU 360 CO 0.00 0.25 1.65 0.12 0.23 0.00 0.00 176.35 178.60 1a31 s PHE 361 N -0.45 2.09 -1.13 0.29 5.36 0.13 -4.75 117.98 119.53 1a31 s PHE 361 Ca 0.19 0.23 -0.07 0.00 -0.96 0.00 0.00 56.93 56.33 1a31 s PHE 361 Cb -0.14 -3.92 0.27 0.00 -0.34 0.00 0.00 43.02 38.88 1a31 s PHE 361 CO 0.08 -3.83 1.46 0.54 -1.46 0.00 0.00 175.22 172.01 1a31 n ARG 362 N 6.74 4.03 -2.60 10.12 1.74 -1.26 -0.59 116.66 134.83 1a31 n ARG 362 Ca 0.17 -4.31 -0.38 0.00 -0.77 0.00 0.00 57.85 52.56 1a31 n ARG 362 Cb 0.42 -2.63 -0.05 0.00 -1.02 0.00 0.00 32.46 29.18 1a31 n ARG 362 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1a31 s GLY 363 N -0.22 2.89 0.41 -0.13 0.00 -1.26 -5.04 107.32 103.96 1a31 s GLY 363 Ca 0.33 0.70 -0.10 0.00 0.00 0.00 0.00 44.72 45.66 1a31 s GLY 363 CO 0.04 1.20 0.76 0.50 0.00 0.00 0.00 173.10 175.60 1a31 s ARG 364 N -1.94 3.75 5.33 2.90 0.52 -1.26 -4.57 118.95 123.67 1a31 s ARG 364 Ca 0.50 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.14 1a31 s ARG 364 Cb -0.24 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 32.82 1a31 s ARG 364 CO 0.31 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 176.00 1a31 n GLY 365 N -1.36 2.07 2.71 -3.53 0.00 -1.26 -2.50 105.19 101.32 1a31 n GLY 365 Ca 0.02 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.12 1a31 n GLY 365 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1a31 n ASN 366 N 2.14 7.24 -4.68 1.61 6.94 -1.26 -4.98 115.26 122.27 1a31 n ASN 366 Ca 0.00 -3.56 -0.42 0.00 -0.02 0.00 0.00 54.58 50.57 1a31 n ASN 366 Cb 0.00 -1.16 -0.03 0.00 -2.36 0.00 0.00 39.78 36.23 1a31 n ASN 366 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1a31 s HIS 367 N -3.15 2.16 -1.60 -2.53 2.46 -1.04 -4.49 115.29 107.10 1a31 s HIS 367 Ca 0.52 0.20 0.08 0.00 0.47 0.00 0.00 55.06 56.34 1a31 s HIS 367 Cb 0.36 -3.97 0.42 0.00 -0.13 0.00 0.00 32.58 29.26 1a31 s HIS 367 CO -0.29 -4.02 1.06 -0.35 -2.47 0.00 0.00 174.74 168.67 1a31 n PRO 368 N 6.28 0.16 0.00 2.88 -0.04 -1.26 -2.51 135.00 140.50 1a31 n PRO 368 Ca 0.17 0.15 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 1a31 n PRO 368 Cb 0.41 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1a31 n PRO 368 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1a31 n LYS 369 N -1.20 0.55 -1.64 0.54 5.02 -1.26 -5.01 118.16 115.17 1a31 n LYS 369 Ca 0.04 -0.76 -0.41 0.00 -2.02 0.00 0.00 58.31 55.17 1a31 n LYS 369 Cb 0.05 -1.07 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1a31 n LYS 369 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1a31 n MET 370 N 0.16 1.50 0.00 1.97 0.00 -1.05 -1.39 117.12 118.31 1a31 n MET 370 Ca 0.03 0.54 0.00 0.00 0.00 0.00 0.00 57.70 58.27 1a31 n MET 370 Cb 0.15 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.21 1a31 n MET 370 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1a31 n GLY 371 N 1.07 2.61 3.76 3.17 0.00 0.25 -4.02 105.19 112.02 1a31 n GLY 371 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1a31 n GLY 371 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1a31 s MET 372 N -0.51 2.88 -0.22 1.61 1.00 -0.49 -2.65 119.30 120.91 1a31 s MET 372 Ca 0.00 1.65 -0.25 0.00 0.00 0.00 0.00 55.69 57.09 1a31 s MET 372 Cb 0.00 -1.94 -0.01 0.00 0.00 0.00 0.00 34.83 32.88 1a31 s MET 372 CO 0.00 -1.24 0.82 -1.17 0.00 0.00 0.00 175.02 173.44 1a31 s LEU 373 N -4.40 4.11 -0.15 -0.03 2.96 -1.26 0.21 118.68 120.11 1a31 s LEU 373 Ca 0.73 1.07 -0.21 0.00 -0.22 0.00 0.00 54.13 55.49 1a31 s LEU 373 Cb -0.26 -3.19 -0.03 0.00 0.50 0.00 0.00 46.19 43.21 1a31 s LEU 373 CO 0.36 -0.48 0.63 -0.75 -1.32 0.00 0.00 176.35 174.79 1a31 s LYS 374 N 2.63 4.29 0.73 1.98 2.20 0.28 -4.81 119.74 127.03 1a31 s LYS 374 Ca 0.36 0.67 -0.09 0.00 -0.36 0.00 0.00 55.97 56.54 1a31 s LYS 374 Cb -0.16 -3.52 0.05 0.00 -1.51 0.00 0.00 37.83 32.69 1a31 s LYS 374 CO 0.09 -0.11 1.08 -0.98 -0.36 0.00 0.00 175.35 175.07 1a31 s ARG 375 N 1.45 2.33 -0.29 4.03 1.70 -1.26 -2.58 118.95 124.33 1a31 s ARG 375 Ca 0.31 0.05 -0.26 0.00 -0.47 0.00 0.00 55.73 55.36 1a31 s ARG 375 Cb -0.16 -2.07 0.01 0.00 -0.57 0.00 0.00 34.95 32.15 1a31 s ARG 375 CO 0.12 -1.26 0.91 0.50 -1.08 0.00 0.00 175.30 174.49 1a31 s ARG 376 N -5.36 4.05 -0.15 3.89 3.52 -1.26 -4.48 118.95 119.16 1a31 s ARG 376 Ca 0.60 0.86 -0.29 0.00 -0.13 0.00 0.00 55.73 56.77 1a31 s ARG 376 Cb -0.11 -3.71 -0.01 0.00 -1.56 0.00 0.00 34.95 29.56 1a31 s ARG 376 CO 0.48 -0.72 1.21 0.42 -0.81 0.00 0.00 175.30 175.88 1a31 s ILE 377 N 3.19 4.35 0.33 4.11 -1.09 -1.26 -5.04 121.20 125.79 1a31 s ILE 377 Ca 0.38 1.64 0.03 0.00 -2.23 0.00 0.00 60.65 60.47 1a31 s ILE 377 Cb -0.14 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 1a31 s ILE 377 CO 0.12 -0.12 0.50 -0.04 -1.23 0.00 0.00 174.94 174.17 1a31 s MET 378 N 3.19 3.32 0.46 2.79 -1.94 -1.26 -4.87 119.30 120.98 1a31 s MET 378 Ca 0.53 -0.64 0.17 0.00 -1.71 0.00 0.00 55.69 54.04 1a31 s MET 378 Cb -0.21 -2.75 1.13 0.00 2.01 0.00 0.00 34.83 35.01 1a31 s MET 378 CO 0.15 0.14 1.98 -1.35 -0.01 0.00 0.00 175.02 175.93 1a31 h PRO 379 N 0.85 0.29 0.00 2.03 0.11 -1.96 0.21 132.00 133.53 1a31 h PRO 379 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1a31 h PRO 379 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1a31 h PRO 379 CO 0.59 0.19 0.00 0.93 -0.21 0.00 0.00 178.00 179.50 1a31 h GLU 380 N 0.30 0.00 -0.02 1.05 3.07 -1.65 -0.57 114.58 116.76 1a31 h GLU 380 Ca 0.28 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.14 1a31 h GLU 380 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 1a31 h GLU 380 CO -0.06 0.00 -0.39 -0.25 -1.40 0.00 0.00 179.01 176.90 1a31 n ASP 381 N -2.41 2.11 -4.70 1.42 8.00 0.73 -3.49 116.55 118.21 1a31 n ASP 381 Ca -0.00 -1.55 -0.38 0.00 0.71 0.00 0.00 54.79 53.56 1a31 n ASP 381 Cb 0.13 0.39 -0.06 0.00 -0.02 0.00 0.00 41.12 41.56 1a31 n ASP 381 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1a31 s ILE 382 N -2.41 5.15 -0.23 0.53 -1.09 -0.25 -4.51 121.20 118.39 1a31 s ILE 382 Ca 0.20 0.96 -0.07 0.00 -2.23 0.00 0.00 60.65 59.51 1a31 s ILE 382 Cb 0.18 -3.83 -0.03 0.00 -1.58 0.00 0.00 42.46 37.20 1a31 s ILE 382 CO 0.53 0.26 0.07 -0.63 -1.23 0.00 0.00 174.94 173.95 1a31 s ILE 383 N 1.03 4.49 -0.05 2.92 1.01 -0.74 0.28 121.20 130.15 1a31 s ILE 383 Ca 0.25 -0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 1a31 s ILE 383 Cb -0.15 -3.08 -0.05 0.00 0.01 0.00 0.00 42.46 39.19 1a31 s ILE 383 CO 0.10 0.37 0.28 -0.63 0.00 0.00 0.00 174.94 175.06 1a31 s ILE 384 N 1.28 5.26 -0.05 2.92 -1.09 -0.61 -1.94 121.20 126.97 1a31 s ILE 384 Ca 0.05 0.50 0.03 0.00 -2.23 0.00 0.00 60.65 59.00 1a31 s ILE 384 Cb -0.15 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1a31 s ILE 384 CO 0.04 0.57 -0.12 0.21 -1.23 0.00 0.00 174.94 174.40 1a31 s ASN 385 N -1.14 1.70 0.17 3.58 2.47 0.85 -0.04 114.94 122.53 1a31 s ASN 385 Ca 0.21 -0.28 -0.24 0.00 0.42 0.00 0.00 52.86 52.97 1a31 s ASN 385 Cb -0.14 -0.60 0.06 0.00 -1.45 0.00 0.00 41.25 39.11 1a31 s ASN 385 CO 0.10 0.08 0.94 0.00 -3.72 0.00 0.00 177.10 174.50 1a31 s SER 387 N -2.96 4.34 0.26 0.00 1.04 -0.48 -3.84 113.70 112.05 1a31 s SER 387 Ca 0.13 2.08 -0.03 0.00 0.48 0.00 0.00 55.95 58.60 1a31 s SER 387 Cb -0.02 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.91 1a31 s SER 387 CO 0.03 -2.15 1.89 0.11 0.98 0.00 0.00 173.24 174.10 1a31 h LYS 388 N -0.67 1.17 -0.14 4.02 1.57 -1.89 -2.62 116.57 118.01 1a31 h LYS 388 Ca -0.46 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.25 1a31 h LYS 388 Cb 1.26 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1a31 h LYS 388 CO 0.50 0.77 0.00 -0.40 -0.57 0.00 0.00 179.45 179.75 1a31 n ASP 389 N -4.49 1.11 -4.85 0.86 5.75 -1.26 -4.94 116.55 108.73 1a31 n ASP 389 Ca 0.14 -1.70 -0.33 0.00 -0.01 0.00 0.00 54.79 52.89 1a31 n ASP 389 Cb 0.15 -0.09 -0.06 0.00 -1.03 0.00 0.00 41.12 40.09 1a31 n ASP 389 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1a31 s ALA 390 N -1.82 3.45 -0.12 2.12 0.00 -0.99 -5.02 121.76 119.38 1a31 s ALA 390 Ca 0.27 -0.06 -0.29 0.00 0.00 0.00 0.00 51.96 51.88 1a31 s ALA 390 Cb 0.14 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 1a31 s ALA 390 CO 0.21 0.40 1.70 0.21 0.00 0.00 0.00 175.76 178.28 1a31 s LYS 391 N -2.60 3.97 0.09 0.00 2.20 -1.26 -4.94 119.74 117.20 1a31 s LYS 391 Ca 0.48 2.01 -0.31 0.00 -0.36 0.00 0.00 55.97 57.79 1a31 s LYS 391 Cb -0.12 -4.04 -0.07 0.00 -1.51 0.00 0.00 37.83 32.09 1a31 s LYS 391 CO 0.19 -1.10 1.31 0.08 -0.36 0.00 0.00 175.35 175.48 1a31 s VAL 392 N 4.76 3.60 0.27 4.02 1.01 -1.26 -4.72 120.40 128.08 1a31 s VAL 392 Ca 0.75 1.15 -0.30 0.00 0.00 0.00 0.00 61.98 63.58 1a31 s VAL 392 Cb -0.31 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.23 1a31 s VAL 392 CO 0.30 0.09 1.50 -2.16 0.00 0.00 0.00 175.10 174.83 1a31 s PRO 393 N 1.09 4.21 0.02 2.72 0.04 -1.26 -4.95 135.00 136.86 1a31 s PRO 393 Ca 0.62 2.41 -0.23 0.00 0.04 0.00 0.00 61.00 63.85 1a31 s PRO 393 Cb -0.34 -3.07 -0.05 0.00 0.04 0.00 0.00 34.50 31.07 1a31 s PRO 393 CO 0.30 -0.50 0.68 -1.54 0.04 0.00 0.00 177.00 175.97 1a31 s SER 394 N 0.41 7.09 1.10 6.66 1.04 -1.26 -4.99 113.70 123.75 1a31 s SER 394 Ca 0.61 1.30 -0.14 0.00 0.48 0.00 0.00 55.95 58.20 1a31 s SER 394 Cb -0.44 -2.42 0.24 0.00 0.10 0.00 0.00 66.02 63.50 1a31 s SER 394 CO 0.45 0.05 1.08 -2.16 0.98 0.00 0.00 173.24 173.65 1a31 s PRO 395 N -0.10 -0.37 0.59 4.02 0.04 -1.26 -4.96 135.00 132.95 1a31 s PRO 395 Ca 0.35 0.39 -0.20 0.00 0.04 0.00 0.00 61.00 61.58 1a31 s PRO 395 Cb -0.19 -1.66 -0.04 0.00 0.04 0.00 0.00 34.50 32.65 1a31 s PRO 395 CO 0.20 -3.24 1.16 -2.30 0.04 0.00 0.00 177.00 172.86 1a31 n PRO 396 N -4.51 1.21 -1.67 0.56 -0.02 -1.26 -4.84 135.00 124.47 1a31 n PRO 396 Ca 0.07 0.46 -0.46 0.00 -2.02 0.00 0.00 63.50 61.54 1a31 n PRO 396 Cb 0.58 -2.37 -0.04 0.00 -0.02 0.00 0.00 33.50 31.64 1a31 n PRO 396 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1a31 n PRO 397 N -1.17 2.14 -0.55 0.52 -0.02 -1.26 -1.63 135.00 133.03 1a31 n PRO 397 Ca 0.13 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 1a31 n PRO 397 Cb 0.46 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1a31 n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a31 n GLY 398 N 3.40 0.71 2.45 -1.23 0.00 -1.26 -5.05 105.19 104.21 1a31 n GLY 398 Ca 0.17 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1a31 n GLY 398 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a31 n HIS 399 N -2.55 0.20 -3.67 1.61 8.25 -0.64 -5.16 115.22 113.25 1a31 n HIS 399 Ca 0.00 -1.88 -0.15 0.00 -0.26 0.00 0.00 57.72 55.43 1a31 n HIS 399 Cb 0.00 -0.03 -0.08 0.00 1.12 0.00 0.00 29.99 31.00 1a31 n HIS 399 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1a31 s LYS 400 N -3.15 0.79 0.78 -0.41 1.02 -1.26 -4.85 119.74 112.67 1a31 s LYS 400 Ca 0.13 0.05 -0.12 0.00 0.02 0.00 0.00 55.97 56.05 1a31 s LYS 400 Cb 0.01 0.37 0.06 0.00 -0.52 0.00 0.00 37.83 37.74 1a31 s LYS 400 CO 0.09 -0.22 1.11 -1.58 -0.92 0.00 0.00 175.35 173.82 1a31 s TRP 401 N -1.13 2.95 0.11 3.18 0.23 -1.25 -1.84 118.94 121.18 1a31 s TRP 401 Ca -0.11 1.07 -0.13 0.00 -2.03 0.00 0.00 56.10 54.90 1a31 s TRP 401 Cb -0.03 -3.15 -0.11 0.00 0.03 0.00 0.00 33.47 30.21 1a31 s TRP 401 CO 0.06 -1.66 1.37 -0.22 0.96 0.00 0.00 176.95 177.46 1a31 h LYS 402 N -1.00 0.80 -2.16 4.98 3.64 0.10 -3.44 116.57 119.50 1a31 h LYS 402 Ca -0.47 -0.53 0.18 0.00 -1.27 0.00 0.00 60.65 58.57 1a31 h LYS 402 Cb 1.27 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 33.05 1a31 h LYS 402 CO 0.61 1.15 0.55 -2.00 -2.27 0.00 0.00 179.45 177.50 1a31 s GLU 403 N -4.07 0.92 -0.05 1.90 2.12 -1.19 -5.00 118.70 113.33 1a31 s GLU 403 Ca -0.11 -0.46 0.01 0.00 0.36 0.00 0.00 54.97 54.77 1a31 s GLU 403 Cb 0.09 0.35 0.02 0.00 0.26 0.00 0.00 34.13 34.85 1a31 s GLU 403 CO 0.88 -0.42 -0.06 0.08 -0.54 0.00 0.00 175.26 175.20 1a31 s VAL 404 N -3.07 0.63 0.18 3.70 1.01 -1.26 -1.58 120.40 120.01 1a31 s VAL 404 Ca 0.10 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.94 1a31 s VAL 404 Cb -0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 36.38 35.69 1a31 s VAL 404 CO -0.03 0.25 -0.04 0.00 0.00 0.00 0.00 175.10 175.28 1a31 s ARG 405 N 0.92 1.15 -0.55 2.72 1.70 0.95 -4.96 118.95 120.89 1a31 s ARG 405 Ca -0.11 -1.54 0.05 0.00 -0.47 0.00 0.00 55.73 53.66 1a31 s ARG 405 Cb -0.14 -0.51 0.19 0.00 -0.57 0.00 0.00 34.95 33.92 1a31 s ARG 405 CO 0.00 -0.04 0.47 0.72 -1.08 0.00 0.00 175.30 175.38 1a31 n HIS 406 N -0.28 1.31 -3.64 5.89 8.25 -1.25 -2.01 115.22 123.50 1a31 n HIS 406 Ca -0.08 -3.83 -0.39 0.00 -0.26 0.00 0.00 57.72 53.17 1a31 n HIS 406 Cb 0.62 -0.25 -0.10 0.00 1.12 0.00 0.00 29.99 31.39 1a31 n HIS 406 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1a31 s ASP 407 N -1.00 5.53 0.00 0.41 -1.08 -1.26 -4.87 116.67 114.41 1a31 s ASP 407 Ca 0.31 -2.01 0.00 0.00 -0.52 0.00 0.00 52.55 50.34 1a31 s ASP 407 Cb 0.04 -1.94 0.00 0.00 -1.46 0.00 0.00 42.92 39.56 1a31 s ASP 407 CO -0.15 -0.63 0.63 -0.46 0.52 0.00 0.00 175.17 175.08 1a31 n ASN 408 N 4.72 0.65 -0.01 -0.34 2.04 -1.26 -2.47 115.26 118.60 1a31 n ASN 408 Ca -0.05 -1.90 0.11 0.00 -0.44 0.00 0.00 54.58 52.30 1a31 n ASN 408 Cb 0.41 -0.32 -0.15 0.00 -2.53 0.00 0.00 39.78 37.18 1a31 n ASN 408 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1a31 n LYS 409 N -0.14 0.52 -3.90 -3.83 4.76 -1.26 -0.15 118.16 114.16 1a31 n LYS 409 Ca 0.00 -0.15 -0.22 0.00 -2.87 0.00 0.00 58.31 55.07 1a31 n LYS 409 Cb 0.16 -1.50 -0.05 0.00 -1.84 0.00 0.00 35.03 31.80 1a31 n LYS 409 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1a31 s VAL 410 N -3.36 3.17 -1.52 -0.18 -7.23 -1.03 -4.62 120.40 105.64 1a31 s VAL 410 Ca -0.04 -1.50 0.16 0.00 -1.81 0.00 0.00 61.98 58.79 1a31 s VAL 410 Cb 0.14 -3.08 -0.00 0.00 0.56 0.00 0.00 36.38 34.00 1a31 s VAL 410 CO 0.88 -0.15 0.87 0.35 -0.31 0.00 0.00 175.10 176.75 1a31 n THR 411 N -1.31 0.00 -3.01 5.32 -2.24 -1.26 -4.75 114.28 107.03 1a31 n THR 411 Ca -0.02 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 61.12 1a31 n THR 411 Cb 0.61 1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 69.99 1a31 n THR 411 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1a31 s TRP 412 N -1.92 3.43 -0.20 4.78 1.48 -1.26 -4.76 118.94 120.49 1a31 s TRP 412 Ca 0.14 1.09 0.14 0.00 -1.06 0.00 0.00 56.10 56.40 1a31 s TRP 412 Cb 0.13 -2.45 -0.23 0.00 -1.16 0.00 0.00 33.47 29.75 1a31 s TRP 412 CO 0.41 0.00 0.07 1.28 -4.06 0.00 0.00 176.95 174.65 1a31 n LEU 413 N -0.86 0.73 -3.88 -4.66 4.77 -0.61 -4.62 117.00 107.87 1a31 n LEU 413 Ca 0.03 0.01 -0.11 0.00 -0.03 0.00 0.00 56.01 55.91 1a31 n LEU 413 Cb 0.54 0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.68 1a31 n LEU 413 CO 0.45 0.59 -0.18 -0.69 -1.33 0.00 0.00 177.39 176.23 1a31 s VAL 414 N -2.51 0.10 0.21 4.08 1.01 -1.22 -0.11 120.40 121.97 1a31 s VAL 414 Ca -0.15 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.83 1a31 s VAL 414 Cb 0.07 -0.60 0.03 0.00 0.00 0.00 0.00 36.38 35.88 1a31 s VAL 414 CO 0.78 -0.45 0.56 -0.94 0.00 0.00 0.00 175.10 175.05 1a31 s SER 415 N -1.65 -0.26 -0.02 3.32 1.04 -0.82 -0.13 113.70 115.18 1a31 s SER 415 Ca -0.11 -0.51 -0.30 0.00 0.48 0.00 0.00 55.95 55.51 1a31 s SER 415 Cb -0.05 0.61 0.11 0.00 0.10 0.00 0.00 66.02 66.78 1a31 s SER 415 CO -0.01 -1.11 0.97 -1.66 0.98 0.00 0.00 173.24 172.42 1a31 s TRP 416 N -3.89 -0.27 -0.26 5.02 -2.14 0.53 -1.79 118.94 116.15 1a31 s TRP 416 Ca 0.10 0.13 -0.12 0.00 2.66 0.00 0.00 56.10 58.87 1a31 s TRP 416 Cb -0.02 0.55 -0.05 0.00 -3.10 0.00 0.00 33.47 30.85 1a31 s TRP 416 CO -0.01 -0.50 0.25 0.99 -2.66 0.00 0.00 176.95 175.02 1a31 s THR 417 N -2.98 5.27 0.21 0.66 2.01 -1.26 0.69 115.64 120.25 1a31 s THR 417 Ca 0.07 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 1a31 s THR 417 Cb -0.01 -3.58 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 1a31 s THR 417 CO -0.07 0.24 1.23 -0.70 -0.69 0.00 0.00 174.62 174.64 1a31 s GLU 418 N 1.69 4.46 0.41 4.92 -6.30 0.20 -4.95 118.70 119.13 1a31 s GLU 418 Ca 0.10 1.96 0.22 0.00 -2.50 0.00 0.00 54.97 54.75 1a31 s GLU 418 Cb -0.15 -3.20 0.53 0.00 0.00 0.00 0.00 34.13 31.30 1a31 s GLU 418 CO 0.09 -0.12 1.66 -2.95 0.02 0.00 0.00 175.26 173.97 1a31 h ASN 419 N 4.95 0.00 0.73 -1.70 -1.07 -1.93 -1.25 115.58 115.31 1a31 h ASN 419 Ca -0.45 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 55.76 1a31 h ASN 419 Cb 1.21 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.44 1a31 h ASN 419 CO 0.74 0.20 -0.74 0.40 0.07 0.00 0.00 177.43 178.09 1a31 h ILE 420 N 0.00 1.53 0.00 6.14 2.04 -1.92 -3.36 117.51 121.94 1a31 h ILE 420 Ca -0.00 -2.53 0.00 0.00 1.00 0.00 0.00 64.86 63.33 1a31 h ILE 420 Cb 0.99 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 1a31 h ILE 420 CO 0.03 0.72 0.00 0.00 0.00 0.00 0.00 178.15 178.90 1a31 n GLN 421 N -3.67 -0.03 -1.34 2.37 6.02 -1.25 -5.01 117.38 114.48 1a31 n GLN 421 Ca -0.01 -0.37 -0.12 0.00 -0.01 0.00 0.00 57.00 56.49 1a31 n GLN 421 Cb 0.72 -0.71 -0.05 0.00 1.02 0.00 0.00 30.24 31.22 1a31 n GLN 421 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a31 n GLY 422 N -0.05 1.27 3.94 1.08 0.00 -0.47 -5.01 105.19 105.95 1a31 n GLY 422 Ca 0.00 -0.39 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 1a31 n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1a31 s SER 423 N -2.79 5.42 -0.18 1.61 1.04 -1.24 -4.79 113.70 112.76 1a31 s SER 423 Ca 0.00 0.45 -0.11 0.00 0.48 0.00 0.00 55.95 56.78 1a31 s SER 423 Cb 0.00 -1.40 -0.05 0.00 0.10 0.00 0.00 66.02 64.67 1a31 s SER 423 CO 0.00 -1.12 0.17 -0.63 0.98 0.00 0.00 173.24 172.63 1a31 s ILE 424 N -2.93 5.39 -0.05 -1.02 1.01 -1.26 -0.63 121.20 121.72 1a31 s ILE 424 Ca 0.55 0.27 -0.03 0.00 0.00 0.00 0.00 60.65 61.44 1a31 s ILE 424 Cb -0.10 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.83 1a31 s ILE 424 CO 0.43 0.44 0.11 -0.54 0.00 0.00 0.00 174.94 175.38 1a31 s LYS 425 N 0.27 3.26 0.19 2.79 -0.14 0.22 -4.90 119.74 121.43 1a31 s LYS 425 Ca 0.10 -0.33 0.08 0.00 -1.36 0.00 0.00 55.97 54.46 1a31 s LYS 425 Cb -0.12 -3.01 -0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1a31 s LYS 425 CO -0.00 0.70 -0.16 0.71 -0.76 0.00 0.00 175.35 175.84 1a31 s TYR 426 N -1.14 1.74 -0.27 3.18 2.02 -1.26 -0.34 117.35 121.27 1a31 s TYR 426 Ca 0.21 -0.54 -0.05 0.00 -0.37 0.00 0.00 57.07 56.32 1a31 s TYR 426 Cb -0.12 -0.83 0.01 0.00 -0.40 0.00 0.00 41.96 40.63 1a31 s TYR 426 CO 0.11 0.35 0.02 0.42 -1.57 0.00 0.00 175.55 174.88 1a31 s ILE 427 N -2.67 3.52 0.43 2.71 1.01 0.82 -4.95 121.20 122.08 1a31 s ILE 427 Ca 0.20 -0.80 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1a31 s ILE 427 Cb -0.02 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 1a31 s ILE 427 CO 0.07 0.14 0.05 0.23 0.00 0.00 0.00 174.94 175.43 1a31 n MET 428 N 4.79 0.78 -2.69 2.79 2.81 -1.26 -1.57 117.12 122.76 1a31 n MET 428 Ca -0.15 -3.30 -0.28 0.00 -1.81 0.00 0.00 57.70 52.16 1a31 n MET 428 Cb 0.48 1.20 -0.01 0.00 -0.71 0.00 0.00 33.22 34.19 1a31 n MET 428 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1a31 s LEU 429 N 0.00 3.67 0.83 4.03 1.43 -1.26 -0.76 118.68 126.62 1a31 s LEU 429 Ca 0.07 0.96 -0.14 0.00 -1.03 0.00 0.00 54.13 53.99 1a31 s LEU 429 Cb 0.00 -3.90 0.04 0.00 0.03 0.00 0.00 46.19 42.36 1a31 s LEU 429 CO 0.05 -0.54 0.77 -3.20 0.23 0.00 0.00 176.35 173.66 1a31 n ASN 430 N -2.06 -0.55 0.12 2.29 5.15 -0.34 -4.37 115.26 115.50 1a31 n ASN 430 Ca 0.01 0.51 0.04 0.00 -0.60 0.00 0.00 54.58 54.54 1a31 n ASN 430 Cb 0.55 -1.33 0.45 0.00 -0.53 0.00 0.00 39.78 38.92 1a31 n ASN 430 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1a31 h PRO 431 N -0.96 0.25 0.00 1.20 0.11 -1.98 -1.44 132.00 129.19 1a31 h PRO 431 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1a31 h PRO 431 Cb 1.31 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1a31 h PRO 431 CO 0.41 0.29 0.00 -1.13 -0.21 0.00 0.00 178.00 177.36 1a31 n SER 432 N -4.38 0.00 -4.77 -2.05 3.41 -1.26 -3.27 113.62 101.30 1a31 n SER 432 Ca -0.00 -0.91 -0.34 0.00 -0.26 0.00 0.00 58.87 57.36 1a31 n SER 432 Cb 0.18 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1a31 n SER 432 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1a31 s SER 433 N -1.67 5.43 0.09 4.04 0.01 -0.54 -4.82 113.70 116.23 1a31 s SER 433 Ca 0.12 2.07 -0.16 0.00 1.31 0.00 0.00 55.95 59.29 1a31 s SER 433 Cb 0.06 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.62 1a31 s SER 433 CO 0.09 -1.41 1.39 -0.09 0.41 0.00 0.00 173.24 173.63 1a31 h ARG 434 N 0.59 0.65 -0.78 12.44 2.43 -1.88 1.37 114.38 129.19 1a31 h ARG 434 Ca -0.48 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.30 1a31 h ARG 434 Cb 1.25 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.79 1a31 h ARG 434 CO 0.56 0.97 0.39 0.97 -1.51 0.00 0.00 179.97 181.35 1a31 h ILE 435 N 0.37 1.24 0.16 1.20 2.10 -1.93 -0.07 117.51 120.58 1a31 h ILE 435 Ca 0.03 -0.66 -0.01 0.00 1.08 0.00 0.00 64.86 65.31 1a31 h ILE 435 Cb 0.87 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 36.85 1a31 h ILE 435 CO 0.07 0.28 -0.08 0.11 -1.08 0.00 0.00 178.15 177.46 1a31 h LYS 436 N 1.09 -0.21 -0.89 2.19 1.79 -1.75 -3.25 116.57 115.55 1a31 h LYS 436 Ca 0.27 0.01 0.24 0.00 -2.18 0.00 0.00 60.65 58.99 1a31 h LYS 436 Cb 0.09 0.05 -0.14 0.00 -1.58 0.00 0.00 32.23 30.65 1a31 h LYS 436 CO -0.04 0.07 0.25 0.78 -1.08 0.00 0.00 179.45 179.43 1a31 h GLY 437 N -1.00 1.39 1.03 3.86 0.00 0.19 0.20 103.07 108.74 1a31 h GLY 437 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.31 1a31 h GLY 437 CO 0.04 -0.38 0.55 -2.09 0.00 0.00 0.00 176.54 174.66 1a31 h GLU 438 N 0.21 1.00 -0.59 4.80 4.81 -1.10 -0.73 114.58 122.98 1a31 h GLU 438 Ca 0.56 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.63 1a31 h GLU 438 Cb 1.14 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.27 1a31 h GLU 438 CO -0.66 0.66 -0.04 0.87 -0.73 0.00 0.00 179.01 179.11 1a31 h LYS 439 N 1.03 1.07 -0.55 1.92 1.57 -0.64 -0.44 116.57 120.54 1a31 h LYS 439 Ca 0.34 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1a31 h LYS 439 Cb 0.06 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 1a31 h LYS 439 CO -0.10 1.07 0.27 0.22 -0.57 0.00 0.00 179.45 180.33 1a31 h ASP 440 N 0.97 0.72 0.34 0.86 3.58 -1.12 0.57 116.42 122.34 1a31 h ASP 440 Ca 0.16 -0.13 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1a31 h ASP 440 Cb 0.61 -0.19 -0.00 0.00 1.72 0.00 0.00 39.33 41.47 1a31 h ASP 440 CO 0.04 0.65 -0.21 -0.25 -2.88 0.00 0.00 179.24 176.58 1a31 h TRP 441 N 0.75 -0.55 -0.91 0.28 7.01 -0.88 -1.62 115.95 120.03 1a31 h TRP 441 Ca 0.19 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.28 1a31 h TRP 441 Cb 0.11 0.20 -0.07 0.00 -2.10 0.00 0.00 29.16 27.29 1a31 h TRP 441 CO -0.00 -0.33 0.56 0.37 -2.79 0.00 0.00 178.44 176.24 1a31 h GLN 442 N -0.53 0.91 -0.38 2.65 4.15 -0.60 -2.43 115.11 118.86 1a31 h GLN 442 Ca -0.04 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.39 1a31 h GLN 442 Cb 0.44 -0.20 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 1a31 h GLN 442 CO 0.04 0.60 0.07 -0.22 -1.93 0.00 0.00 178.83 177.38 1a31 h LYS 443 N 0.93 0.19 -0.12 1.69 3.64 0.86 -1.37 116.57 122.39 1a31 h LYS 443 Ca 0.43 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.70 1a31 h LYS 443 Cb 0.35 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1a31 h LYS 443 CO -0.23 0.12 -0.39 1.88 -2.27 0.00 0.00 179.45 178.56 1a31 h TYR 444 N 0.19 0.30 -0.27 1.91 0.05 -0.89 -2.88 116.97 115.38 1a31 h TYR 444 Ca 0.18 -0.08 0.02 0.00 0.05 0.00 0.00 58.73 58.91 1a31 h TYR 444 Cb 0.22 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 1a31 h TYR 444 CO -0.20 0.61 0.12 0.93 -1.05 0.00 0.00 178.16 178.58 1a31 h GLU 445 N 0.22 0.26 -1.01 4.88 4.39 -0.83 0.85 114.58 123.34 1a31 h GLU 445 Ca 0.02 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.80 1a31 h GLU 445 Cb 0.78 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.30 1a31 h GLU 445 CO 0.06 0.17 0.64 1.15 -1.16 0.00 0.00 179.01 179.87 1a31 h THR 446 N 0.27 1.01 -0.36 1.13 2.02 -1.26 0.90 112.91 116.61 1a31 h THR 446 Ca 0.11 -0.38 -0.13 0.00 0.77 0.00 0.00 66.41 66.79 1a31 h THR 446 Cb 0.05 -0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.27 1a31 h THR 446 CO -0.09 0.20 -0.31 0.00 0.37 0.00 0.00 175.52 175.69 1a31 h ALA 447 N 1.50 0.76 -0.67 6.16 0.00 -1.07 -2.00 119.26 123.94 1a31 h ALA 447 Ca 0.46 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1a31 h ALA 447 Cb 0.32 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1a31 h ALA 447 CO -0.22 0.65 0.27 0.00 0.00 0.00 0.00 179.25 179.96 1a31 h ARG 448 N 0.67 0.98 -0.17 0.00 3.08 0.14 -1.40 114.38 117.68 1a31 h ARG 448 Ca 0.07 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1a31 h ARG 448 Cb 0.85 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 1a31 h ARG 448 CO 0.07 0.80 -0.23 0.00 -1.07 0.00 0.00 179.97 179.54 1a31 h ARG 449 N 0.97 0.30 -0.64 0.04 3.08 -0.63 -2.10 114.38 115.39 1a31 h ARG 449 Ca 0.23 -0.10 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 1a31 h ARG 449 Cb 0.18 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1a31 h ARG 449 CO -0.02 0.52 0.38 1.25 -1.07 0.00 0.00 179.97 181.02 1a31 h LEU 450 N 0.27 0.78 -0.91 3.04 5.85 -0.52 -2.79 115.31 121.03 1a31 h LEU 450 Ca 0.04 -0.07 0.19 0.00 0.84 0.00 0.00 57.88 58.89 1a31 h LEU 450 Cb 0.56 -0.20 -0.17 0.00 0.37 0.00 0.00 40.66 41.22 1a31 h LEU 450 CO 0.04 0.62 -0.19 0.50 -0.34 0.00 0.00 178.44 179.08 1a31 h LYS 451 N 0.87 0.01 -0.10 1.25 3.64 -0.88 0.71 116.57 122.08 1a31 h LYS 451 Ca 0.23 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1a31 h LYS 451 Cb -0.01 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1a31 h LYS 451 CO -0.04 0.00 0.01 0.87 -2.27 0.00 0.00 179.45 178.03 1a31 h LYS 452 N 0.01 0.16 -0.00 1.90 1.57 -1.53 -3.07 116.57 115.60 1a31 h LYS 452 Ca 0.46 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 1a31 h LYS 452 Cb 0.74 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1a31 h LYS 452 CO -0.92 0.38 -0.04 0.00 -0.57 0.00 0.00 179.45 178.29 1a31 h VAL 454 N 0.07 1.15 0.02 0.00 2.07 0.45 0.26 116.25 120.27 1a31 h VAL 454 Ca 0.00 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 1a31 h VAL 454 Cb 0.37 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1a31 h VAL 454 CO 0.00 0.18 -0.01 0.44 0.02 0.00 0.00 177.57 178.20 1a31 h ASP 455 N 1.00 -0.02 -0.54 0.57 5.19 -1.76 0.39 116.42 121.25 1a31 h ASP 455 Ca 0.30 -0.15 0.06 0.00 -0.62 0.00 0.00 57.03 56.62 1a31 h ASP 455 Cb -0.01 0.01 -0.05 0.00 0.18 0.00 0.00 39.33 39.45 1a31 h ASP 455 CO -0.08 0.14 0.26 0.50 -3.12 0.00 0.00 179.24 176.94 1a31 h LYS 456 N -0.17 0.48 -0.41 3.56 3.64 -1.65 -1.33 116.57 120.69 1a31 h LYS 456 Ca -0.00 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1a31 h LYS 456 Cb 0.17 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1a31 h LYS 456 CO 0.00 0.32 0.15 0.82 -2.27 0.00 0.00 179.45 178.47 1a31 h ILE 457 N 0.50 1.21 -0.35 2.00 2.04 -0.25 -2.00 117.51 120.65 1a31 h ILE 457 Ca 0.25 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 1a31 h ILE 457 Cb 0.19 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1a31 h ILE 457 CO -0.19 0.23 -0.05 0.03 0.00 0.00 0.00 178.15 178.17 1a31 h ARG 458 N 0.51 0.56 0.00 2.37 3.08 0.23 -2.49 114.38 118.64 1a31 h ARG 458 Ca 0.13 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 1a31 h ARG 458 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1a31 h ARG 458 CO -0.01 0.63 -0.51 -0.91 -1.07 0.00 0.00 179.97 178.10 1a31 h ASN 459 N 0.53 0.00 0.02 7.04 2.35 -1.07 -1.64 115.58 122.81 1a31 h ASN 459 Ca 0.11 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1a31 h ASN 459 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1a31 h ASN 459 CO 0.02 0.51 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.69 1a31 h GLN 460 N 0.00 -0.03 0.00 0.81 4.15 -1.09 -2.72 115.11 116.23 1a31 h GLN 460 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 1a31 h GLN 460 Cb 1.03 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 1a31 h GLN 460 CO 0.07 0.68 -0.13 0.10 -1.93 0.00 0.00 178.83 177.62 1a31 h TYR 461 N -0.93 0.00 0.00 3.99 -0.00 -1.54 0.10 116.97 118.59 1a31 h TYR 461 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1a31 h TYR 461 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.45 1a31 h TYR 461 CO 0.19 0.13 0.00 0.00 -0.00 0.00 0.00 178.16 178.48 1a31 h ARG 462 N 0.00 0.00 0.12 0.10 3.08 -1.35 -2.32 114.38 114.01 1a31 h ARG 462 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.98 59.69 1a31 h ARG 462 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1a31 h ARG 462 CO 0.02 0.00 -1.98 0.39 -1.07 0.00 0.00 179.97 177.33 1a31 n GLU 463 N -2.68 0.76 0.16 0.04 1.02 0.11 -3.86 120.64 116.19 1a31 n GLU 463 Ca 0.03 0.27 0.12 0.00 -0.02 0.00 0.00 57.16 57.55 1a31 n GLU 463 Cb 0.34 -1.72 0.58 0.00 -0.02 0.00 0.00 31.44 30.63 1a31 n GLU 463 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1a31 h ASP 464 N 0.07 0.00 0.20 1.62 5.19 -0.57 -2.05 116.42 120.88 1a31 h ASP 464 Ca -0.42 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.99 1a31 h ASP 464 Cb 2.04 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.55 1a31 h ASP 464 CO 0.09 0.00 0.00 0.79 -3.12 0.00 0.00 179.24 177.00 1a31 n TRP 465 N -2.30 0.00 -2.35 4.55 8.01 -0.90 -2.69 117.44 121.76 1a31 n TRP 465 Ca -0.00 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.09 1a31 n TRP 465 Cb 0.11 -0.27 0.05 0.00 -2.01 0.00 0.00 31.31 29.18 1a31 n TRP 465 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1a31 n LYS 466 N -1.27 2.42 -3.20 -0.99 4.01 -0.77 -4.92 118.16 113.44 1a31 n LYS 466 Ca 0.05 -3.67 -0.26 0.00 -0.51 0.00 0.00 58.31 53.92 1a31 n LYS 466 Cb 0.09 -1.79 -0.02 0.00 -0.51 0.00 0.00 35.03 32.80 1a31 n LYS 466 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 1a31 s SER 467 N -3.54 6.35 -0.32 4.39 0.15 -1.10 -4.95 113.70 114.68 1a31 s SER 467 Ca 0.39 0.66 0.01 0.00 0.70 0.00 0.00 55.95 57.70 1a31 s SER 467 Cb 0.37 -2.12 0.33 0.00 -1.71 0.00 0.00 66.02 62.89 1a31 s SER 467 CO -0.02 -0.32 1.76 2.29 1.20 0.00 0.00 173.24 178.16 1a31 n LYS 468 N -1.57 1.84 -3.32 5.44 0.00 -1.26 -4.49 118.16 114.80 1a31 n LYS 468 Ca -0.02 -1.82 -0.12 0.00 -0.00 0.00 0.00 58.31 56.35 1a31 n LYS 468 Cb 0.55 -1.71 -0.06 0.00 -0.00 0.00 0.00 35.03 33.81 1a31 n LYS 468 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1a31 s GLU 469 N -2.05 0.59 0.40 -1.58 2.02 -1.26 -4.99 118.70 111.83 1a31 s GLU 469 Ca 0.35 -0.44 0.24 0.00 0.02 0.00 0.00 54.97 55.14 1a31 s GLU 469 Cb 0.29 -0.46 1.34 0.00 0.10 0.00 0.00 34.13 35.40 1a31 s GLU 469 CO 0.03 -1.14 1.61 1.98 0.02 0.00 0.00 175.26 177.76 1a31 h MET 470 N 7.42 0.10 0.09 1.61 1.85 -1.97 0.26 114.93 124.29 1a31 h MET 470 Ca 0.00 -0.01 0.01 0.00 -0.61 0.00 0.00 59.70 59.09 1a31 h MET 470 Cb 1.10 -0.02 -0.03 0.00 0.43 0.00 0.00 31.60 33.07 1a31 h MET 470 CO 0.21 0.06 -0.34 0.87 -0.40 0.00 0.00 176.91 177.31 1a31 h LYS 471 N 0.10 -0.48 -0.98 0.39 1.57 -1.94 3.41 116.57 118.65 1a31 h LYS 471 Ca 0.82 0.03 0.24 0.00 -1.87 0.00 0.00 60.65 59.87 1a31 h LYS 471 Cb 2.32 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 34.66 1a31 h LYS 471 CO -0.57 -0.32 0.64 0.28 -0.57 0.00 0.00 179.45 178.91 1a31 h VAL 472 N -0.50 0.60 0.07 0.50 2.07 -0.89 0.24 116.25 118.35 1a31 h VAL 472 Ca -0.01 -0.13 -0.25 0.00 0.82 0.00 0.00 66.70 67.13 1a31 h VAL 472 Cb 0.50 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1a31 h VAL 472 CO -0.18 0.07 -1.11 0.03 0.02 0.00 0.00 177.57 176.40 1a31 h ARG 473 N 0.38 0.24 -0.05 1.57 3.08 0.32 -2.18 114.38 117.75 1a31 h ARG 473 Ca 0.53 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 1a31 h ARG 473 Cb 1.37 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.54 1a31 h ARG 473 CO -0.22 1.13 -0.00 1.96 -1.07 0.00 0.00 179.97 181.77 1a31 h GLN 474 N 0.09 0.08 -0.56 0.04 4.20 0.95 -1.57 115.11 118.34 1a31 h GLN 474 Ca -0.10 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.49 1a31 h GLN 474 Cb 1.82 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.57 1a31 h GLN 474 CO 0.18 0.39 -0.03 0.07 -0.67 0.00 0.00 178.83 178.76 1a31 h ARG 475 N -0.23 1.01 -0.83 1.46 0.11 -1.12 -2.55 114.38 112.22 1a31 h ARG 475 Ca 0.01 -0.34 0.05 0.00 0.10 0.00 0.00 59.98 59.80 1a31 h ARG 475 Cb 0.35 -0.08 -0.05 0.00 1.11 0.00 0.00 29.97 31.30 1a31 h ARG 475 CO 0.00 1.02 0.52 0.00 0.10 0.00 0.00 179.97 181.62 1a31 h ALA 476 N 0.95 1.12 -0.37 0.08 0.00 -1.27 0.53 119.26 120.31 1a31 h ALA 476 Ca 0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1a31 h ALA 476 Cb 0.59 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1a31 h ALA 476 CO 0.04 0.31 0.07 0.28 0.00 0.00 0.00 179.25 179.95 1a31 h VAL 477 N 0.99 1.23 -0.71 0.00 2.07 -1.12 -0.58 116.25 118.14 1a31 h VAL 477 Ca 0.35 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 67.00 1a31 h VAL 477 Cb 0.09 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 1a31 h VAL 477 CO -0.14 0.28 0.25 0.00 0.02 0.00 0.00 177.57 177.98 1a31 h ALA 478 N 0.92 1.11 -0.81 1.67 0.00 -0.93 -1.20 119.26 120.02 1a31 h ALA 478 Ca 0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1a31 h ALA 478 Cb 0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1a31 h ALA 478 CO 0.01 0.62 0.34 1.25 0.00 0.00 0.00 179.25 181.46 1a31 h LEU 479 N 1.04 1.11 0.34 0.00 5.85 0.29 -1.35 115.31 122.58 1a31 h LEU 479 Ca 0.23 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1a31 h LEU 479 Cb 0.24 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1a31 h LEU 479 CO -0.01 0.97 -0.36 0.22 -0.34 0.00 0.00 178.44 178.91 1a31 h TYR 480 N 1.18 -0.99 -0.62 1.25 3.20 0.01 0.29 116.97 121.29 1a31 h TYR 480 Ca 0.27 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.20 1a31 h TYR 480 Cb 0.20 0.39 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 1a31 h TYR 480 CO 0.02 -0.51 0.34 0.74 -1.64 0.00 0.00 178.16 177.12 1a31 h PHE 481 N -0.74 0.63 0.12 -3.82 0.04 -1.12 0.77 116.94 112.83 1a31 h PHE 481 Ca -0.02 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1a31 h PHE 481 Cb 0.67 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1a31 h PHE 481 CO -0.22 0.31 -0.11 0.82 -0.60 0.00 0.00 178.31 178.51 1a31 h ILE 482 N 0.64 0.76 0.88 -0.55 2.04 -0.82 1.14 117.51 121.60 1a31 h ILE 482 Ca 0.27 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.09 1a31 h ILE 482 Cb 0.15 0.76 0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1a31 h ILE 482 CO -0.17 0.00 -0.43 -0.78 0.00 0.00 0.00 178.15 176.78 1a31 h ASP 483 N -0.25 -1.01 -0.07 1.72 3.58 0.01 0.56 116.42 120.97 1a31 h ASP 483 Ca 0.00 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1a31 h ASP 483 Cb 0.23 0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.54 1a31 h ASP 483 CO -0.02 -0.68 0.00 0.11 -2.88 0.00 0.00 179.24 175.77 1a31 h LYS 484 N -1.26 0.12 -0.01 0.28 1.79 0.59 -3.31 116.57 114.77 1a31 h LYS 484 Ca -0.12 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 1a31 h LYS 484 Cb 0.92 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.55 1a31 h LYS 484 CO 0.20 0.38 -0.53 1.28 -1.08 0.00 0.00 179.45 179.70 1a31 n LEU 485 N -4.86 1.88 -2.20 2.94 4.77 0.38 -4.99 117.00 114.93 1a31 n LEU 485 Ca -0.07 -0.73 -0.19 0.00 -0.03 0.00 0.00 56.01 55.00 1a31 n LEU 485 Cb 0.18 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1a31 n LEU 485 CO 0.34 0.36 -0.22 0.00 -1.33 0.00 0.00 177.39 176.55 1a31 n ALA 486 N -0.20 -0.59 -1.49 -1.18 0.00 0.20 -4.94 120.51 112.31 1a31 n ALA 486 Ca 0.08 0.16 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1a31 n ALA 486 Cb 0.44 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 17.77 1a31 n ALA 486 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a31 s LEU 487 N -5.46 3.41 0.54 0.00 1.43 -1.24 -4.93 118.68 112.43 1a31 s LEU 487 Ca 0.03 2.15 -0.16 0.00 -1.03 0.00 0.00 54.13 55.12 1a31 s LEU 487 Cb -0.01 -4.57 -0.07 0.00 0.03 0.00 0.00 46.19 41.57 1a31 s LEU 487 CO 0.03 -1.81 1.00 -0.13 0.23 0.00 0.00 176.35 175.68 1a31 s ARG 488 N -3.93 3.79 0.25 1.70 0.52 -1.26 -4.57 118.95 115.45 1a31 s ARG 488 Ca 0.70 0.99 -0.06 0.00 -0.52 0.00 0.00 55.73 56.85 1a31 s ARG 488 Cb -0.24 -2.11 0.48 0.00 0.52 0.00 0.00 34.95 33.60 1a31 s ARG 488 CO 0.41 -0.41 1.63 0.00 0.02 0.00 0.00 175.30 176.95 1a31 h ALA 489 N 0.72 0.83 -2.67 2.13 0.00 -1.93 0.73 119.26 119.08 1a31 h ALA 489 Ca -0.47 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a31 h ALA 489 Cb 1.19 0.45 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1a31 h ALA 489 CO 0.61 -0.44 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1a31 n GLY 490 N -1.44 0.29 3.76 0.00 0.00 -1.26 0.92 105.19 107.47 1a31 n GLY 490 Ca 0.15 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1a31 n GLY 490 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a31 s ASN 491 N -2.38 7.21 0.34 1.61 0.01 -1.26 -2.74 114.94 117.73 1a31 s ASN 491 Ca 0.00 2.29 -0.29 0.00 -0.71 0.00 0.00 52.86 54.15 1a31 s ASN 491 Cb 0.00 -2.63 -0.11 0.00 0.41 0.00 0.00 41.25 38.93 1a31 s ASN 491 CO 0.00 -0.18 1.44 -0.70 -1.51 0.00 0.00 177.10 176.15 1a31 s GLU 492 N -1.52 4.19 0.12 -0.60 2.12 -1.26 -4.91 118.70 116.84 1a31 s GLU 492 Ca 0.45 2.45 0.08 0.00 0.36 0.00 0.00 54.97 58.31 1a31 s GLU 492 Cb -0.32 -3.01 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1a31 s GLU 492 CO 0.41 -0.43 -0.13 0.15 -0.54 0.00 0.00 175.26 174.72 1a31 s LYS 493 N -1.71 1.99 -0.35 4.30 1.02 -1.26 -5.06 119.74 118.67 1a31 s LYS 493 Ca 0.53 -1.11 -0.27 0.00 0.02 0.00 0.00 55.97 55.13 1a31 s LYS 493 Cb -0.44 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.60 1a31 s LYS 493 CO 0.57 0.49 2.20 -2.00 -0.92 0.00 0.00 175.35 175.69 1a31 s GLU 494 N -2.28 2.77 -0.60 1.68 2.56 -1.26 -4.88 118.70 116.69 1a31 s GLU 494 Ca 0.21 1.63 -0.27 0.00 0.00 0.00 0.00 54.97 56.54 1a31 s GLU 494 Cb -0.11 -4.42 -0.10 0.00 2.00 0.00 0.00 34.13 31.50 1a31 s GLU 494 CO 0.13 -2.52 2.47 0.39 -0.56 0.00 0.00 175.26 175.17 1a31 n GLU 495 N 8.83 0.82 0.00 4.30 1.02 -1.26 -0.04 120.64 134.32 1a31 n GLU 495 Ca 0.30 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1a31 n GLU 495 Cb 0.49 -3.08 0.00 0.00 -0.02 0.00 0.00 31.44 28.83 1a31 n GLU 495 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1a31 n GLY 496 N 6.13 0.76 0.01 0.62 0.00 -1.26 -4.91 105.19 106.53 1a31 n GLY 496 Ca 0.43 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.47 1a31 n GLY 496 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1a31 n GLU 497 N -1.00 5.32 -4.41 1.61 -0.58 0.94 -4.92 120.64 117.59 1a31 n GLU 497 Ca 0.00 -0.04 -0.23 0.00 -0.42 0.00 0.00 57.16 56.47 1a31 n GLU 497 Cb 0.00 -0.72 -0.08 0.00 -0.57 0.00 0.00 31.44 30.07 1a31 n GLU 497 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1a31 s THR 498 N -1.34 0.34 -0.17 2.62 -4.23 -1.04 -4.70 115.64 107.12 1a31 s THR 498 Ca 0.02 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.33 1a31 s THR 498 Cb 0.03 -2.41 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 1a31 s THR 498 CO 0.17 0.00 0.56 0.00 -0.54 0.00 0.00 174.62 174.80 1a31 s ALA 499 N -3.35 3.51 -0.58 3.99 0.00 -1.26 -4.38 121.76 119.70 1a31 s ALA 499 Ca 0.31 -0.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.73 1a31 s ALA 499 Cb 0.03 -2.84 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 1a31 s ALA 499 CO 0.19 -0.35 2.07 0.34 0.00 0.00 0.00 175.76 178.01 1a31 s ASP 500 N 1.03 4.94 0.14 0.00 2.15 -1.26 -4.95 116.67 118.71 1a31 s ASP 500 Ca 0.27 0.57 0.06 0.00 0.43 0.00 0.00 52.55 53.89 1a31 s ASP 500 Cb -0.16 -2.52 -0.04 0.00 -0.30 0.00 0.00 42.92 39.90 1a31 s ASP 500 CO 0.11 -2.60 -0.15 0.42 -0.17 0.00 0.00 175.17 172.78 1a31 s THR 501 N 10.33 1.45 0.22 1.71 -4.23 -1.26 -4.84 115.64 119.02 1a31 s THR 501 Ca 0.79 -1.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.51 1a31 s THR 501 Cb -0.14 -1.64 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1a31 s THR 501 CO 0.22 -0.42 0.04 0.68 -0.54 0.00 0.00 174.62 174.60 1a31 s VAL 502 N -2.22 0.68 0.39 2.29 -7.23 0.13 -4.91 120.40 109.53 1a31 s VAL 502 Ca 0.11 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1a31 s VAL 502 Cb -0.04 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 1a31 s VAL 502 CO 0.04 -0.24 0.18 0.61 -0.31 0.00 0.00 175.10 175.38 1a31 n GLY 503 N -0.37 3.14 0.21 2.32 0.00 -1.26 -4.12 105.19 105.11 1a31 n GLY 503 Ca -0.03 -2.06 -0.06 0.00 0.00 0.00 0.00 46.02 43.87 1a31 n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a31 n SER 506 N -3.86 3.44 -4.61 0.00 3.41 -0.42 -4.68 113.62 106.90 1a31 n SER 506 Ca -0.01 -1.99 -0.40 0.00 -0.26 0.00 0.00 58.87 56.21 1a31 n SER 506 Cb 0.17 -0.26 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 1a31 n SER 506 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1a31 n LEU 507 N 1.47 2.84 -4.56 1.04 4.77 -0.65 -4.74 117.00 117.16 1a31 n LEU 507 Ca 0.20 0.98 -0.28 0.00 -0.03 0.00 0.00 56.01 56.88 1a31 n LEU 507 Cb 0.60 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.23 1a31 n LEU 507 CO 0.16 -1.57 -0.42 -0.13 -1.33 0.00 0.00 177.39 174.09 1a31 s ARG 508 N -2.18 2.04 0.31 3.23 0.52 -1.26 -0.97 118.95 120.65 1a31 s ARG 508 Ca 0.66 -1.20 0.05 0.00 -0.52 0.00 0.00 55.73 54.72 1a31 s ARG 508 Cb -0.52 -2.19 0.84 0.00 0.52 0.00 0.00 34.95 33.60 1a31 s ARG 508 CO 0.55 0.46 1.60 0.28 0.02 0.00 0.00 175.30 178.20 1a31 h VAL 509 N 2.97 0.11 0.00 3.52 2.07 -0.36 0.58 116.25 125.14 1a31 h VAL 509 Ca -0.48 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1a31 h VAL 509 Cb 1.19 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1a31 h VAL 509 CO 0.53 0.01 0.00 1.05 0.02 0.00 0.00 177.57 179.18 1a31 h GLU 510 N 0.07 0.00 -0.00 1.57 4.11 -1.71 -2.29 114.58 116.32 1a31 h GLU 510 Ca 0.63 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.06 1a31 h GLU 510 Cb 1.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.62 1a31 h GLU 510 CO -0.81 0.00 -0.40 0.72 0.07 0.00 0.00 179.01 178.59 1a31 n HIS 511 N -2.42 0.00 -4.86 2.06 8.25 0.20 -4.83 115.22 113.63 1a31 n HIS 511 Ca -0.01 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.15 1a31 n HIS 511 Cb 0.10 -0.21 -0.14 0.00 1.12 0.00 0.00 29.99 30.86 1a31 n HIS 511 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1a31 s ILE 512 N -2.81 2.24 -0.15 1.59 -1.09 -0.86 -1.23 121.20 118.89 1a31 s ILE 512 Ca 0.16 -1.37 -0.05 0.00 -2.23 0.00 0.00 60.65 57.16 1a31 s ILE 512 Cb 0.18 -1.89 0.07 0.00 -1.58 0.00 0.00 42.46 39.25 1a31 s ILE 512 CO 0.63 0.35 0.28 0.20 -1.23 0.00 0.00 174.94 175.17 1a31 s ASN 513 N -1.29 0.41 0.19 3.58 0.01 -1.00 -4.94 114.94 111.92 1a31 s ASN 513 Ca 0.12 0.51 -0.15 0.00 -0.71 0.00 0.00 52.86 52.63 1a31 s ASN 513 Cb -0.10 0.75 -0.08 0.00 0.41 0.00 0.00 41.25 42.23 1a31 s ASN 513 CO 0.03 -0.25 0.61 -0.76 -1.51 0.00 0.00 177.10 175.22 1a31 s LEU 514 N 2.43 4.29 -0.24 0.60 1.02 -1.26 -0.02 118.68 125.50 1a31 s LEU 514 Ca 0.02 1.17 -0.04 0.00 0.02 0.00 0.00 54.13 55.30 1a31 s LEU 514 Cb -0.13 -3.49 0.08 0.00 0.02 0.00 0.00 46.19 42.68 1a31 s LEU 514 CO -0.10 0.03 0.10 -1.00 0.02 0.00 0.00 176.35 175.40 1a31 s HIS 515 N -1.58 0.61 0.36 0.29 3.76 0.30 -4.97 115.29 114.05 1a31 s HIS 515 Ca 0.42 -0.83 0.16 0.00 -0.15 0.00 0.00 55.06 54.66 1a31 s HIS 515 Cb -0.14 -0.98 1.09 0.00 1.11 0.00 0.00 32.58 33.66 1a31 s HIS 515 CO 0.20 -0.70 1.69 -1.35 -0.85 0.00 0.00 174.74 173.72 1a31 h PRO 516 N 8.34 0.35 -3.21 8.40 0.11 -1.96 -0.40 132.00 143.64 1a31 h PRO 516 Ca -0.17 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.76 1a31 h PRO 516 Cb 1.07 -0.08 -0.24 0.00 0.11 0.00 0.00 31.00 31.86 1a31 h PRO 516 CO 0.38 0.23 -0.43 -1.83 -0.21 0.00 0.00 178.00 176.15 1a31 s GLU 517 N -5.61 0.37 -0.28 1.05 4.04 -1.26 -0.22 118.70 116.78 1a31 s GLU 517 Ca -0.10 0.12 -0.16 0.00 0.04 0.00 0.00 54.97 54.88 1a31 s GLU 517 Cb 0.29 0.17 0.10 0.00 0.02 0.00 0.00 34.13 34.71 1a31 s GLU 517 CO 0.80 -0.07 0.75 -1.17 -1.84 0.00 0.00 175.26 173.73 1a31 s LEU 518 N -0.36 -0.86 -1.40 1.83 2.96 1.12 -4.91 118.68 117.07 1a31 s LEU 518 Ca -0.05 1.36 -0.01 0.00 -0.22 0.00 0.00 54.13 55.22 1a31 s LEU 518 Cb -0.03 2.23 0.00 0.00 0.50 0.00 0.00 46.19 48.90 1a31 s LEU 518 CO 0.01 -0.21 0.48 0.47 -1.32 0.00 0.00 176.35 175.78 1a31 n ASP 519 N 4.26 -0.58 0.00 3.68 10.43 -1.26 0.18 116.55 133.26 1a31 n ASP 519 Ca -0.19 -0.97 0.00 0.00 2.57 0.00 0.00 54.79 56.20 1a31 n ASP 519 Cb 0.58 -3.25 0.00 0.00 1.84 0.00 0.00 41.12 40.29 1a31 n ASP 519 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1a31 n GLY 520 N -1.89 1.82 3.80 0.44 0.00 -1.26 -4.93 105.19 103.16 1a31 n GLY 520 Ca -0.30 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 1a31 n GLY 520 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a31 s GLN 521 N 0.00 4.41 -0.17 1.61 -2.07 0.47 -5.06 119.66 118.85 1a31 s GLN 521 Ca 0.00 1.08 -0.02 0.00 -1.82 0.00 0.00 55.36 54.60 1a31 s GLN 521 Cb 0.00 -2.87 -0.01 0.00 -1.09 0.00 0.00 33.01 29.04 1a31 s GLN 521 CO 0.00 0.36 -0.08 -1.21 -1.32 0.00 0.00 175.29 173.03 1a31 s GLU 522 N -1.96 3.42 -0.26 9.60 8.01 -1.26 0.36 118.70 136.61 1a31 s GLU 522 Ca 0.46 -0.64 -0.01 0.00 0.01 0.00 0.00 54.97 54.79 1a31 s GLU 522 Cb -0.18 -2.82 -0.01 0.00 -4.31 0.00 0.00 34.13 26.81 1a31 s GLU 522 CO 0.22 0.06 0.23 0.66 0.01 0.00 0.00 175.26 176.44 1a31 n TYR 523 N 4.02 -0.71 -3.91 1.61 4.01 0.69 -4.66 117.16 118.21 1a31 n TYR 523 Ca -0.18 0.26 -0.35 0.00 -0.16 0.00 0.00 57.90 57.47 1a31 n TYR 523 Cb 0.52 -2.71 -0.09 0.00 -0.31 0.00 0.00 39.34 36.75 1a31 n TYR 523 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1a31 s VAL 524 N -3.07 5.06 -0.24 -0.72 1.01 -0.16 -1.37 120.40 120.91 1a31 s VAL 524 Ca 0.08 0.06 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 1a31 s VAL 524 Cb -0.01 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1a31 s VAL 524 CO 0.20 0.47 0.16 -0.69 0.00 0.00 0.00 175.10 175.24 1a31 s VAL 525 N 0.19 5.36 -0.61 2.92 1.01 -0.65 -0.54 120.40 128.08 1a31 s VAL 525 Ca 0.06 0.18 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 1a31 s VAL 525 Cb -0.12 -3.50 0.16 0.00 0.00 0.00 0.00 36.38 32.92 1a31 s VAL 525 CO -0.00 0.34 0.50 -0.70 0.00 0.00 0.00 175.10 175.24 1a31 s GLU 526 N 1.06 2.87 -0.03 2.72 2.12 0.97 -0.58 118.70 127.83 1a31 s GLU 526 Ca 0.07 -2.13 -0.30 0.00 0.36 0.00 0.00 54.97 52.97 1a31 s GLU 526 Cb -0.14 -4.06 -0.03 0.00 0.26 0.00 0.00 34.13 30.17 1a31 s GLU 526 CO 0.05 -1.23 0.99 -0.06 -0.54 0.00 0.00 175.26 174.46 1a31 s PHE 527 N 0.72 3.62 -0.28 5.30 0.08 0.12 -2.36 117.98 125.18 1a31 s PHE 527 Ca 0.11 1.67 0.00 0.00 0.12 0.00 0.00 56.93 58.84 1a31 s PHE 527 Cb -0.21 -3.14 0.15 0.00 -0.57 0.00 0.00 43.02 39.25 1a31 s PHE 527 CO -0.03 -0.07 0.37 0.34 -0.10 0.00 0.00 175.22 175.73 1a31 s ASP 528 N 1.03 0.67 0.37 1.36 2.15 -0.36 -1.62 116.67 120.27 1a31 s ASP 528 Ca 0.51 -0.35 -0.15 0.00 0.43 0.00 0.00 52.55 52.99 1a31 s ASP 528 Cb -0.20 0.96 0.05 0.00 -0.30 0.00 0.00 42.92 43.43 1a31 s ASP 528 CO 0.25 -0.35 0.76 0.72 -0.17 0.00 0.00 175.17 176.38 1a31 s PHE 529 N 2.50 0.17 -0.30 -5.34 -0.12 -1.16 -4.52 117.98 109.20 1a31 s PHE 529 Ca 0.10 -0.80 -0.08 0.00 -0.05 0.00 0.00 56.93 56.10 1a31 s PHE 529 Cb -0.13 0.76 0.00 0.00 -0.63 0.00 0.00 43.02 43.02 1a31 s PHE 529 CO -0.28 -1.52 0.12 -0.51 -0.05 0.00 0.00 175.22 172.98 1a31 s LEU 530 N -3.07 3.99 0.00 -1.99 1.43 -1.26 -0.24 118.68 117.53 1a31 s LEU 530 Ca 0.16 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 1a31 s LEU 530 Cb -0.05 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.23 1a31 s LEU 530 CO 0.12 -0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.11 1a31 n GLY 531 N 4.93 1.31 3.77 -3.19 0.00 0.95 0.20 105.19 113.16 1a31 n GLY 531 Ca -0.14 -1.61 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1a31 n GLY 531 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a31 n LYS 532 N 0.00 2.59 -1.59 1.61 4.81 -1.26 -1.90 118.16 122.42 1a31 n LYS 532 Ca 0.00 0.91 -0.18 0.00 -0.87 0.00 0.00 58.31 58.17 1a31 n LYS 532 Cb 0.00 -2.63 -0.07 0.00 0.02 0.00 0.00 35.03 32.35 1a31 n LYS 532 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1a31 n ASP 533 N 0.45 -5.12 -1.32 3.14 8.00 -1.26 -2.54 116.55 117.89 1a31 n ASP 533 Ca 0.02 0.39 -0.16 0.00 0.71 0.00 0.00 54.79 55.75 1a31 n ASP 533 Cb 0.39 -4.18 -0.06 0.00 -0.02 0.00 0.00 41.12 37.25 1a31 n ASP 533 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1a31 n SER 534 N -0.89 -4.93 -4.67 -2.24 7.64 -0.80 -4.67 113.62 103.06 1a31 n SER 534 Ca -0.18 0.35 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 1a31 n SER 534 Cb 0.59 -3.88 -0.04 0.00 -1.01 0.00 0.00 64.21 59.87 1a31 n SER 534 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1a31 s ILE 535 N -2.63 4.84 0.13 0.44 1.01 -1.05 -4.75 121.20 119.19 1a31 s ILE 535 Ca 0.00 1.74 -0.31 0.00 0.00 0.00 0.00 60.65 62.08 1a31 s ILE 535 Cb 0.00 -4.18 -0.08 0.00 0.01 0.00 0.00 42.46 38.21 1a31 s ILE 535 CO 0.00 0.00 1.32 0.00 0.00 0.00 0.00 174.94 176.26 1a31 s ARG 536 N 2.23 4.37 -0.41 2.79 1.04 -1.26 -0.03 118.95 127.68 1a31 s ARG 536 Ca 0.40 1.99 -0.03 0.00 -1.04 0.00 0.00 55.73 57.06 1a31 s ARG 536 Cb -0.17 -3.25 0.11 0.00 -2.04 0.00 0.00 34.95 29.60 1a31 s ARG 536 CO 0.13 -0.33 0.21 -0.47 -0.04 0.00 0.00 175.30 174.80 1a31 s TYR 537 N 0.75 3.59 -0.12 5.89 6.14 0.66 -4.91 117.35 129.35 1a31 s TYR 537 Ca 0.60 -2.40 -0.03 0.00 0.64 0.00 0.00 57.07 55.88 1a31 s TYR 537 Cb -0.35 -3.23 -0.03 0.00 0.42 0.00 0.00 41.96 38.77 1a31 s TYR 537 CO 0.33 -0.97 -0.00 -0.47 0.64 0.00 0.00 175.55 175.07 1a31 s TYR 538 N 1.15 3.13 -0.19 4.97 6.14 -1.26 -3.00 117.35 128.28 1a31 s TYR 538 Ca 0.08 0.05 -0.28 0.00 0.64 0.00 0.00 57.07 57.56 1a31 s TYR 538 Cb -0.23 -1.87 0.09 0.00 0.42 0.00 0.00 41.96 40.37 1a31 s TYR 538 CO -0.04 0.29 0.82 1.21 0.64 0.00 0.00 175.55 178.47 1a31 s ASN 539 N -0.39 -0.60 -0.34 4.32 3.84 -0.64 -5.00 114.94 116.13 1a31 s ASN 539 Ca 0.07 0.96 -0.08 0.00 0.21 0.00 0.00 52.86 54.02 1a31 s ASN 539 Cb -0.12 0.90 0.03 0.00 -0.55 0.00 0.00 41.25 41.50 1a31 s ASN 539 CO 0.02 -0.35 0.14 -0.54 -2.79 0.00 0.00 177.10 173.58 1a31 s LYS 540 N -0.33 2.83 -0.23 0.43 1.02 -1.26 -0.70 119.74 121.50 1a31 s LYS 540 Ca -0.03 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 54.92 1a31 s LYS 540 Cb -0.03 -3.54 0.06 0.00 -0.52 0.00 0.00 37.83 33.80 1a31 s LYS 540 CO 0.02 -0.62 -0.07 0.08 -0.92 0.00 0.00 175.35 173.84 1a31 s VAL 541 N 1.49 1.66 -0.39 3.17 1.01 0.25 -4.91 120.40 122.67 1a31 s VAL 541 Ca 0.01 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 60.47 1a31 s VAL 541 Cb -0.19 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1a31 s VAL 541 CO 0.04 -0.02 1.70 -2.84 0.00 0.00 0.00 175.10 173.98 1a31 s PRO 542 N 1.35 3.31 0.48 2.72 0.02 -1.26 -1.63 135.00 139.99 1a31 s PRO 542 Ca -0.05 1.19 0.08 0.00 0.02 0.00 0.00 61.00 62.24 1a31 s PRO 542 Cb -0.18 -4.17 0.03 0.00 0.02 0.00 0.00 34.50 30.19 1a31 s PRO 542 CO -0.06 -1.88 0.57 0.14 -0.33 0.00 0.00 177.00 175.43 1a31 s VAL 543 N 6.75 2.54 0.09 3.83 -7.23 -0.47 -5.00 120.40 120.92 1a31 s VAL 543 Ca 0.73 -1.13 -0.30 0.00 -1.81 0.00 0.00 61.98 59.47 1a31 s VAL 543 Cb -0.19 -2.67 -0.06 0.00 0.56 0.00 0.00 36.38 34.03 1a31 s VAL 543 CO 0.32 0.00 1.04 -1.61 -0.31 0.00 0.00 175.10 174.53 1a31 s GLU 544 N -4.38 4.60 0.06 4.82 2.02 -1.26 -4.79 118.70 119.76 1a31 s GLU 544 Ca 0.53 1.56 -0.12 0.00 0.02 0.00 0.00 54.97 56.96 1a31 s GLU 544 Cb -0.06 -3.37 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 1a31 s GLU 544 CO 0.32 0.05 0.64 1.17 0.02 0.00 0.00 175.26 177.46 1a31 n LYS 545 N 3.12 -0.17 0.03 1.61 4.81 -1.26 0.97 118.16 127.27 1a31 n LYS 545 Ca 0.04 0.63 0.19 0.00 -0.87 0.00 0.00 58.31 58.30 1a31 n LYS 545 Cb 0.48 -0.92 0.68 0.00 0.02 0.00 0.00 35.03 35.29 1a31 n LYS 545 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a31 h ARG 546 N 0.00 0.01 0.05 1.64 3.08 -1.95 0.19 114.38 117.40 1a31 h ARG 546 Ca 0.06 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1a31 h ARG 546 Cb 0.15 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1a31 h ARG 546 CO -0.35 0.01 -0.02 0.28 -1.07 0.00 0.00 179.97 178.81 1a31 h VAL 547 N 0.01 1.31 -0.15 2.04 2.07 0.25 -1.62 116.25 120.16 1a31 h VAL 547 Ca 0.23 -1.38 0.04 0.00 0.82 0.00 0.00 66.70 66.41 1a31 h VAL 547 Cb 0.89 2.20 -0.05 0.00 -1.52 0.00 0.00 31.29 32.81 1a31 h VAL 547 CO -0.00 0.34 -0.15 0.15 0.02 0.00 0.00 177.57 177.92 1a31 h PHE 548 N -0.70 -0.38 -0.20 1.57 3.04 -0.07 -0.52 116.94 119.68 1a31 h PHE 548 Ca -0.01 0.02 0.01 0.00 3.98 0.00 0.00 57.97 61.97 1a31 h PHE 548 Cb 0.60 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1a31 h PHE 548 CO 0.13 -0.22 0.12 0.87 -2.02 0.00 0.00 178.31 177.19 1a31 h LYS 549 N -0.17 0.24 -0.96 1.11 1.79 -0.76 -1.66 116.57 116.15 1a31 h LYS 549 Ca 0.10 -0.01 0.20 0.00 -2.18 0.00 0.00 60.65 58.75 1a31 h LYS 549 Cb 0.32 -0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 30.83 1a31 h LYS 549 CO -0.26 0.16 0.61 -0.91 -1.08 0.00 0.00 179.45 177.97 1a31 h ASN 550 N 0.24 0.61 0.39 0.86 2.35 -0.74 1.30 115.58 120.59 1a31 h ASN 550 Ca 0.08 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.86 1a31 h ASN 550 Cb -0.01 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1a31 h ASN 550 CO -0.03 0.23 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.74 1a31 h LEU 551 N 0.60 0.00 -0.03 1.61 3.38 -0.17 0.12 115.31 120.84 1a31 h LEU 551 Ca 0.53 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 58.28 1a31 h LEU 551 Cb 1.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.79 1a31 h LEU 551 CO -0.28 0.17 -0.82 1.56 0.09 0.00 0.00 178.44 179.16 1a31 h GLN 552 N 0.00 0.60 -0.37 1.13 4.20 0.20 -2.92 115.11 117.96 1a31 h GLN 552 Ca -0.00 -0.61 0.02 0.00 0.06 0.00 0.00 58.65 58.11 1a31 h GLN 552 Cb 0.41 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1a31 h GLN 552 CO 0.02 1.22 0.21 1.25 -0.67 0.00 0.00 178.83 180.87 1a31 h LEU 553 N 0.22 0.34 -1.35 1.46 5.85 -0.38 -1.29 115.31 120.17 1a31 h LEU 553 Ca -0.09 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1a31 h LEU 553 Cb 1.49 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.45 1a31 h LEU 553 CO 0.16 0.25 0.00 -0.26 -0.34 0.00 0.00 178.44 178.25 1a31 h PHE 554 N 0.43 0.00 -0.01 1.25 0.04 -0.80 -2.39 116.94 115.45 1a31 h PHE 554 Ca 0.15 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1a31 h PHE 554 Cb 0.01 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.16 1a31 h PHE 554 CO -0.08 0.00 -0.30 -1.33 -0.60 0.00 0.00 178.31 176.00 1a31 n MET 555 N -2.40 1.56 -1.88 1.51 2.81 -0.55 -4.85 117.12 113.33 1a31 n MET 555 Ca -0.00 -1.03 -0.43 0.00 -1.81 0.00 0.00 57.70 54.44 1a31 n MET 555 Cb 0.13 -1.34 -0.03 0.00 -0.71 0.00 0.00 33.22 31.26 1a31 n MET 555 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1a31 s GLU 556 N -1.99 3.63 -0.60 0.03 2.02 -0.84 -2.87 118.70 118.09 1a31 s GLU 556 Ca 0.16 1.91 0.00 0.00 0.02 0.00 0.00 54.97 57.07 1a31 s GLU 556 Cb 0.15 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 30.21 1a31 s GLU 556 CO 0.41 -1.51 0.00 0.09 0.02 0.00 0.00 175.26 174.27 1a31 n ASN 557 N 9.35 -3.95 -4.88 -0.19 3.02 -1.26 -5.04 115.26 112.32 1a31 n ASN 557 Ca 0.22 0.14 -0.21 0.00 -0.03 0.00 0.00 54.58 54.70 1a31 n ASN 557 Cb 0.45 -1.94 -0.03 0.00 -0.61 0.00 0.00 39.78 37.64 1a31 n ASN 557 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1a31 s LYS 558 N -2.16 3.11 0.23 3.52 1.02 -1.14 -5.12 119.74 119.20 1a31 s LYS 558 Ca 0.00 -0.95 0.06 0.00 0.02 0.00 0.00 55.97 55.09 1a31 s LYS 558 Cb 0.00 -2.69 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1a31 s LYS 558 CO 0.00 0.39 0.27 -0.65 -0.92 0.00 0.00 175.35 174.44 1a31 s GLN 559 N -3.90 3.19 0.20 1.68 -1.52 -1.26 -5.02 119.66 113.02 1a31 s GLN 559 Ca 0.34 -0.87 -0.15 0.00 -1.95 0.00 0.00 55.36 52.72 1a31 s GLN 559 Cb -0.08 -2.74 0.19 0.00 -0.22 0.00 0.00 33.01 30.16 1a31 s GLN 559 CO 0.27 0.43 1.62 -1.35 -0.25 0.00 0.00 175.29 176.01 1a31 h PRO 560 N 1.49 -0.04 -0.43 2.91 0.11 -1.98 -0.22 132.00 133.84 1a31 h PRO 560 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1a31 h PRO 560 Cb 1.23 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1a31 h PRO 560 CO 0.62 -0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 1a31 n GLU 561 N -5.42 0.24 -4.22 1.05 4.71 -1.26 -2.42 120.64 113.32 1a31 n GLU 561 Ca 0.06 0.00 -0.27 0.00 -0.01 0.00 0.00 57.16 56.94 1a31 n GLU 561 Cb 0.32 -1.15 -0.08 0.00 -1.01 0.00 0.00 31.44 29.52 1a31 n GLU 561 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1a31 s ASP 562 N -0.54 4.67 0.28 1.62 1.01 -0.10 -4.99 116.67 118.63 1a31 s ASP 562 Ca 0.00 -0.42 -0.30 0.00 0.71 0.00 0.00 52.55 52.54 1a31 s ASP 562 Cb 0.00 -0.96 -0.10 0.00 1.01 0.00 0.00 42.92 42.87 1a31 s ASP 562 CO 0.00 0.10 1.42 -1.81 0.21 0.00 0.00 175.17 175.09 1a31 s ASP 563 N -2.89 6.65 -0.04 0.27 1.01 -1.26 0.14 116.67 120.53 1a31 s ASP 563 Ca 0.27 2.71 -0.26 0.00 0.71 0.00 0.00 52.55 55.98 1a31 s ASP 563 Cb -0.09 -2.63 -0.21 0.00 1.01 0.00 0.00 42.92 40.99 1a31 s ASP 563 CO 0.18 -0.69 1.14 0.25 0.21 0.00 0.00 175.17 176.26 1a31 h LEU 564 N 4.56 0.07 -6.48 1.23 5.85 -1.32 -3.31 115.31 115.92 1a31 h LEU 564 Ca -0.47 -0.63 -0.80 0.00 0.84 0.00 0.00 57.88 56.82 1a31 h LEU 564 Cb 1.22 -0.02 -0.25 0.00 0.37 0.00 0.00 40.66 41.98 1a31 h LEU 564 CO 0.74 0.69 1.15 0.49 -0.34 0.00 0.00 178.44 181.17 1a31 n PHE 565 N -4.72 2.54 -0.32 1.25 3.72 -1.26 -4.82 117.46 113.85 1a31 n PHE 565 Ca -0.09 -2.60 0.25 0.00 -0.05 0.00 0.00 57.45 54.96 1a31 n PHE 565 Cb 0.35 -1.34 0.55 0.00 -0.94 0.00 0.00 39.48 38.10 1a31 n PHE 565 CO 0.00 0.00 0.00 0.38 -0.05 0.00 0.00 176.76 177.09 1a31 h ASP 566 N 4.86 0.37 -0.83 4.37 2.03 -1.92 0.94 116.42 126.25 1a31 h ASP 566 Ca 0.41 0.07 -0.37 0.00 -0.73 0.00 0.00 57.03 56.41 1a31 h ASP 566 Cb 0.46 0.01 -0.22 0.00 -0.83 0.00 0.00 39.33 38.76 1a31 h ASP 566 CO 1.31 0.07 0.43 0.54 -1.03 0.00 0.00 179.24 180.56 1a31 n ARG 567 N -4.56 2.76 -4.09 4.15 3.00 -1.26 -4.98 116.66 111.68 1a31 n ARG 567 Ca 0.25 -3.06 -0.14 0.00 -0.01 0.00 0.00 57.85 54.90 1a31 n ARG 567 Cb 0.94 -2.15 -0.11 0.00 0.00 0.00 0.00 32.46 31.13 1a31 n ARG 567 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1a31 s LEU 568 N -3.18 2.28 0.18 0.55 0.20 0.32 -4.92 118.68 114.12 1a31 s LEU 568 Ca 0.55 -0.59 -0.15 0.00 0.69 0.00 0.00 54.13 54.63 1a31 s LEU 568 Cb 0.46 -0.21 0.02 0.00 -0.43 0.00 0.00 46.19 46.02 1a31 s LEU 568 CO 0.11 -0.20 0.44 0.54 -0.29 0.00 0.00 176.35 176.95 1a31 s ASN 569 N -1.71 -0.16 0.36 3.68 2.20 -1.26 -4.92 114.94 113.13 1a31 s ASN 569 Ca -0.07 -0.61 0.05 0.00 -0.94 0.00 0.00 52.86 51.29 1a31 s ASN 569 Cb -0.09 0.53 0.73 0.00 -2.00 0.00 0.00 41.25 40.42 1a31 s ASN 569 CO 0.00 -1.00 1.98 0.71 -2.94 0.00 0.00 177.10 175.86 1a31 h THR 570 N 2.31 1.06 0.51 0.54 1.35 -1.88 -0.05 112.91 116.76 1a31 h THR 570 Ca -0.30 -0.26 -0.03 0.00 -0.55 0.00 0.00 66.41 65.28 1a31 h THR 570 Cb 1.25 0.24 0.01 0.00 -1.73 0.00 0.00 68.15 67.91 1a31 h THR 570 CO 0.41 0.14 -0.25 1.23 -0.25 0.00 0.00 175.52 176.80 1a31 h GLY 571 N 0.76 -0.72 0.31 5.82 0.00 -1.98 0.31 103.07 107.57 1a31 h GLY 571 Ca 0.28 0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.89 1a31 h GLY 571 CO -0.08 -0.26 -0.38 -2.22 0.00 0.00 0.00 176.54 173.59 1a31 h ILE 572 N -0.77 0.21 -0.15 2.60 2.04 -1.87 -0.26 117.51 119.31 1a31 h ILE 572 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1a31 h ILE 572 Cb 0.56 0.21 -0.06 0.00 -0.74 0.00 0.00 36.82 36.80 1a31 h ILE 572 CO 0.12 0.00 -0.24 0.25 0.00 0.00 0.00 178.15 178.27 1a31 h LEU 573 N -0.60 -0.76 -1.66 1.44 5.85 -0.83 -1.64 115.31 117.11 1a31 h LEU 573 Ca 0.03 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1a31 h LEU 573 Cb 0.64 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1a31 h LEU 573 CO -0.24 -0.29 0.05 0.78 -0.34 0.00 0.00 178.44 178.40 1a31 h ASN 574 N -0.30 0.23 -0.27 1.25 2.35 -0.14 -0.62 115.58 118.07 1a31 h ASN 574 Ca 0.11 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1a31 h ASN 574 Cb 0.46 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1a31 h ASN 574 CO -0.32 0.24 0.18 0.50 -1.65 0.00 0.00 177.43 176.38 1a31 h LYS 575 N 0.26 0.36 -0.30 0.81 1.63 -0.14 0.75 116.57 119.95 1a31 h LYS 575 Ca 0.07 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1a31 h LYS 575 Cb 0.10 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 1a31 h LYS 575 CO -0.00 0.25 0.15 1.25 -3.45 0.00 0.00 179.45 177.65 1a31 h HIS 576 N 0.36 0.43 -0.84 1.91 2.76 -0.54 -1.66 115.15 117.57 1a31 h HIS 576 Ca 0.10 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 1a31 h HIS 576 Cb -0.03 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.74 1a31 h HIS 576 CO -0.05 0.38 0.53 -0.07 -1.30 0.00 0.00 177.93 177.42 1a31 h LEU 577 N 0.35 0.85 -1.02 0.26 3.38 -0.66 -0.79 115.31 117.67 1a31 h LEU 577 Ca 0.10 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1a31 h LEU 577 Cb 0.11 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1a31 h LEU 577 CO -0.01 0.56 0.55 1.56 0.09 0.00 0.00 178.44 181.18 1a31 h GLN 578 N 0.99 1.22 0.00 1.13 1.08 -0.45 -0.09 115.11 118.99 1a31 h GLN 578 Ca 0.35 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.40 1a31 h GLN 578 Cb 0.11 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 1a31 h GLN 578 CO -0.15 0.85 -0.21 0.22 -0.95 0.00 0.00 178.83 178.59 1a31 h ASP 579 N 1.24 0.00 1.03 1.46 1.82 -0.25 -2.16 116.42 119.56 1a31 h ASP 579 Ca 0.32 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.79 1a31 h ASP 579 Cb -0.06 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 39.92 1a31 h ASP 579 CO -0.06 0.21 -1.03 -0.07 -1.61 0.00 0.00 179.24 176.68 1a31 h LEU 580 N 0.00 0.00 -6.52 2.28 3.38 0.10 -3.46 115.31 111.09 1a31 h LEU 580 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.14 1a31 h LEU 580 Cb 0.47 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 40.97 1a31 h LEU 580 CO 0.03 0.75 0.28 -0.32 0.09 0.00 0.00 178.44 179.27 1a31 s MET 581 N -2.82 0.27 0.05 1.13 0.00 -0.22 -5.08 119.30 112.64 1a31 s MET 581 Ca 0.00 0.65 -0.34 0.00 0.00 0.00 0.00 55.69 56.01 1a31 s MET 581 Cb 0.09 0.36 -0.13 0.00 0.00 0.00 0.00 34.83 35.15 1a31 s MET 581 CO 0.79 -0.09 1.74 -0.85 0.00 0.00 0.00 175.02 176.61 1a31 n GLU 582 N 4.76 2.25 -0.08 4.11 0.00 -1.16 -1.08 120.64 129.44 1a31 n GLU 582 Ca -0.10 0.82 0.00 0.00 0.00 0.00 0.00 57.16 57.88 1a31 n GLU 582 Cb 0.53 -2.64 0.00 0.00 0.00 0.00 0.00 31.44 29.34 1a31 n GLU 582 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1a31 n GLY 583 N 3.93 0.68 3.62 -1.84 0.00 -1.26 -5.04 105.19 105.28 1a31 n GLY 583 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1a31 n GLY 583 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a31 s LEU 584 N 0.00 4.05 0.31 0.99 2.96 -0.24 -4.99 118.68 121.75 1a31 s LEU 584 Ca 0.00 0.82 0.05 0.00 -0.22 0.00 0.00 54.13 54.78 1a31 s LEU 584 Cb 0.00 -3.23 -0.06 0.00 0.50 0.00 0.00 46.19 43.40 1a31 s LEU 584 CO 0.00 -0.68 0.01 0.42 -1.32 0.00 0.00 176.35 174.78 1a31 s THR 585 N 3.14 1.39 0.20 3.68 -4.23 -1.26 -3.18 115.64 115.38 1a31 s THR 585 Ca 0.37 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 58.71 1a31 s THR 585 Cb -0.14 -2.67 0.15 0.00 1.34 0.00 0.00 72.50 71.18 1a31 s THR 585 CO 0.13 -0.12 1.68 0.00 -0.54 0.00 0.00 174.62 175.77 1a31 h ALA 586 N 2.16 0.54 -0.01 3.99 0.00 -1.95 -1.23 119.26 122.77 1a31 h ALA 586 Ca -0.41 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1a31 h ALA 586 Cb 1.24 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1a31 h ALA 586 CO 0.70 -0.37 0.06 1.57 0.00 0.00 0.00 179.25 181.20 1a31 h LYS 587 N 0.14 0.00 0.00 0.00 2.10 -1.97 0.62 116.57 117.47 1a31 h LYS 587 Ca 0.28 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.88 1a31 h LYS 587 Cb 0.42 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 1a31 h LYS 587 CO -0.43 0.00 -0.22 0.28 -2.00 0.00 0.00 179.45 177.07 1a31 h VAL 588 N 0.00 1.05 -0.10 0.07 2.07 -1.60 -1.89 116.25 115.85 1a31 h VAL 588 Ca 0.00 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 1a31 h VAL 588 Cb 0.12 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1a31 h VAL 588 CO -0.00 0.22 -0.15 -0.26 0.02 0.00 0.00 177.57 177.40 1a31 h PHE 589 N 0.00 0.15 -0.24 1.57 -1.00 -1.00 0.50 116.94 116.92 1a31 h PHE 589 Ca -0.00 -0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.57 1a31 h PHE 589 Cb 0.43 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.95 1a31 h PHE 589 CO 0.00 0.31 -0.59 0.00 -1.61 0.00 0.00 178.31 176.42 1a31 h ARG 590 N 0.14 0.82 0.22 1.51 3.08 -1.48 0.08 114.38 118.75 1a31 h ARG 590 Ca 0.03 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 1a31 h ARG 590 Cb 0.37 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1a31 h ARG 590 CO 0.02 1.19 -0.11 1.15 -1.07 0.00 0.00 179.97 181.15 1a31 h THR 591 N 0.57 0.85 -0.31 2.04 2.02 -1.33 -2.33 112.91 114.42 1a31 h THR 591 Ca -0.01 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.67 1a31 h THR 591 Cb 1.20 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.74 1a31 h THR 591 CO 0.13 0.12 0.02 0.22 0.37 0.00 0.00 175.52 176.38 1a31 h TYR 592 N -0.59 0.03 -0.85 3.16 3.20 -0.90 0.17 116.97 121.18 1a31 h TYR 592 Ca -0.03 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1a31 h TYR 592 Cb 0.43 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1a31 h TYR 592 CO 0.02 -0.03 0.45 -0.91 -1.64 0.00 0.00 178.16 176.05 1a31 h ASN 593 N 0.12 1.08 -0.18 -2.11 4.21 -1.01 -1.97 115.58 115.71 1a31 h ASN 593 Ca 0.15 -0.10 -0.12 0.00 1.21 0.00 0.00 56.30 57.44 1a31 h ASN 593 Cb 0.19 -0.27 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 1a31 h ASN 593 CO -0.23 0.88 -0.35 0.00 -1.29 0.00 0.00 177.43 176.43 1a31 h ALA 594 N 1.30 0.29 -0.17 -0.83 0.00 -0.83 -3.03 119.26 115.98 1a31 h ALA 594 Ca 0.30 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1a31 h ALA 594 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1a31 h ALA 594 CO -0.05 0.35 0.04 0.77 0.00 0.00 0.00 179.25 180.37 1a31 h SER 595 N 0.22 0.26 -0.93 0.00 0.02 -0.55 -2.82 113.55 109.74 1a31 h SER 595 Ca 0.01 -0.23 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1a31 h SER 595 Cb 0.95 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 1a31 h SER 595 CO 0.08 0.42 0.59 -0.29 -1.14 0.00 0.00 176.83 176.48 1a31 h ILE 596 N 0.09 1.25 0.01 3.27 6.09 -1.46 -1.58 117.51 125.18 1a31 h ILE 596 Ca 0.05 -0.50 -0.00 0.00 -1.37 0.00 0.00 64.86 63.04 1a31 h ILE 596 Cb 0.26 -0.09 0.00 0.00 0.47 0.00 0.00 36.82 37.46 1a31 h ILE 596 CO 0.00 0.25 -0.01 0.74 -3.07 0.00 0.00 178.15 176.07 1a31 h THR 597 N 1.27 1.06 -0.67 2.19 2.02 -1.47 0.25 112.91 117.56 1a31 h THR 597 Ca 0.34 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 1a31 h THR 597 Cb -0.10 1.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1a31 h THR 597 CO -0.07 0.06 0.39 0.25 0.37 0.00 0.00 175.52 176.52 1a31 h LEU 598 N -0.11 0.83 -0.10 2.58 5.85 -1.30 0.21 115.31 123.26 1a31 h LEU 598 Ca -0.00 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1a31 h LEU 598 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1a31 h LEU 598 CO 0.00 0.67 -0.01 -0.61 -0.34 0.00 0.00 178.44 178.15 1a31 h GLN 599 N 0.92 0.02 -0.10 1.25 4.15 -0.81 0.26 115.11 120.80 1a31 h GLN 599 Ca 0.24 -0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.51 1a31 h GLN 599 Cb 0.01 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.68 1a31 h GLN 599 CO -0.04 0.01 -0.60 0.37 -1.93 0.00 0.00 178.83 176.65 1a31 h GLN 600 N 0.02 0.34 0.00 1.69 -0.00 -0.78 -2.81 115.11 113.56 1a31 h GLN 600 Ca 0.05 -0.23 -0.01 0.00 -0.00 0.00 0.00 58.65 58.46 1a31 h GLN 600 Cb 0.06 0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.58 1a31 h GLN 600 CO -0.09 0.84 -0.04 1.96 0.00 0.00 0.00 178.83 181.49 1a31 h GLN 601 N 0.25 0.00 0.04 1.69 1.08 -0.33 -1.57 115.11 116.27 1a31 h GLN 601 Ca -0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.97 1a31 h GLN 601 Cb 1.11 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.53 1a31 h GLN 601 CO 0.10 0.04 -1.01 -0.07 -0.95 0.00 0.00 178.83 176.94 1a31 h LEU 602 N 0.00 0.20 -0.01 1.46 3.38 -0.74 -1.70 115.31 117.91 1a31 h LEU 602 Ca -0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 1a31 h LEU 602 Cb 0.67 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1a31 h LEU 602 CO 0.01 1.09 -0.08 0.50 0.09 0.00 0.00 178.44 180.04 1a31 h LYS 603 N 0.06 0.07 -0.18 1.13 3.64 -1.24 -2.40 116.57 117.64 1a31 h LYS 603 Ca -0.06 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1a31 h LYS 603 Cb 1.71 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.54 1a31 h LYS 603 CO 0.15 0.79 -0.02 1.49 -2.27 0.00 0.00 179.45 179.59 1a31 h GLU 604 N -0.64 0.26 0.00 1.90 4.81 -1.37 -3.20 114.58 116.35 1a31 h GLU 604 Ca -0.01 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1a31 h GLU 604 Cb 0.82 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.15 1a31 h GLU 604 CO 0.02 0.31 -1.54 1.28 -0.73 0.00 0.00 179.01 178.34 1a31 n LEU 605 N -4.36 0.24 -4.67 1.64 4.77 -0.64 -4.92 117.00 109.05 1a31 n LEU 605 Ca -0.00 -0.15 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 1a31 n LEU 605 Cb 0.19 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 1a31 n LEU 605 CO 0.37 0.06 1.34 -0.89 -1.33 0.00 0.00 177.39 176.93 1a31 s THR 606 N -3.09 3.43 -0.45 -5.08 2.01 -0.90 -4.90 115.64 106.66 1a31 s THR 606 Ca -0.03 0.67 -0.29 0.00 0.31 0.00 0.00 61.69 62.35 1a31 s THR 606 Cb 0.12 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 69.22 1a31 s THR 606 CO 0.75 -0.04 1.23 0.00 -0.69 0.00 0.00 174.62 175.87 1a31 s ALA 607 N 3.48 3.12 -1.20 7.40 0.00 -1.26 -4.90 121.76 128.40 1a31 s ALA 607 Ca 0.73 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.33 1a31 s ALA 607 Cb -0.35 -3.91 0.00 0.00 0.00 0.00 0.00 23.12 18.86 1a31 s ALA 607 CO 0.30 -2.29 0.66 -0.35 0.00 0.00 0.00 175.76 174.08 1a31 n PRO 608 N 7.91 0.00 -2.74 0.00 -0.05 -1.26 -1.67 135.00 137.19 1a31 n PRO 608 Ca 0.14 0.21 -0.12 0.00 -0.05 0.00 0.00 63.50 63.67 1a31 n PRO 608 Cb 0.49 -1.55 0.02 0.00 -0.05 0.00 0.00 33.50 32.40 1a31 n PRO 608 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 175.50 175.20 1a31 n ASP 609 N -1.16 1.65 -4.99 3.54 9.92 -1.26 -5.11 116.55 119.13 1a31 n ASP 609 Ca 0.00 -2.86 -0.19 0.00 -0.53 0.00 0.00 54.79 51.21 1a31 n ASP 609 Cb 0.05 -0.54 0.03 0.00 -0.64 0.00 0.00 41.12 40.02 1a31 n ASP 609 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1a31 s GLU 610 N -3.04 2.57 -0.23 -1.24 2.02 -0.67 -5.09 118.70 113.02 1a31 s GLU 610 Ca 0.31 -1.29 -0.08 0.00 0.02 0.00 0.00 54.97 53.93 1a31 s GLU 610 Cb 0.43 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.96 1a31 s GLU 610 CO -0.00 -0.57 0.09 0.54 0.02 0.00 0.00 175.26 175.34 1a31 s ASN 611 N -4.47 5.46 0.09 -0.19 4.22 -1.26 -4.98 114.94 113.81 1a31 s ASN 611 Ca 0.58 -0.08 -0.03 0.00 -2.14 0.00 0.00 52.86 51.19 1a31 s ASN 611 Cb -0.09 -1.97 0.13 0.00 1.28 0.00 0.00 41.25 40.60 1a31 s ASN 611 CO 0.36 0.03 0.50 -0.38 -2.04 0.00 0.00 177.10 175.57 1a31 n ILE 612 N 4.51 -0.14 -0.14 0.54 2.08 -1.26 0.35 119.36 125.30 1a31 n ILE 612 Ca -0.16 0.74 -0.12 0.00 0.56 0.00 0.00 62.75 63.77 1a31 n ILE 612 Cb 0.52 -1.01 -0.02 0.00 -0.75 0.00 0.00 39.64 38.38 1a31 n ILE 612 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1a31 h PRO 613 N 0.00 0.90 -0.38 0.38 0.13 -1.99 -2.38 132.00 128.66 1a31 h PRO 613 Ca 0.15 -0.41 -0.10 0.00 -0.87 0.00 0.00 66.00 64.77 1a31 h PRO 613 Cb 0.23 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.32 1a31 h PRO 613 CO -0.33 1.06 -0.17 0.00 -0.23 0.00 0.00 178.00 178.33 1a31 h ALA 614 N 0.82 0.98 -0.75 -0.56 0.00 -0.52 -1.73 119.26 117.51 1a31 h ALA 614 Ca 0.09 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1a31 h ALA 614 Cb 0.81 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1a31 h ALA 614 CO 0.07 0.60 0.39 0.87 0.00 0.00 0.00 179.25 181.18 1a31 h LYS 615 N 0.64 1.04 0.00 0.00 1.57 -1.15 0.46 116.57 119.13 1a31 h LYS 615 Ca 0.10 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1a31 h LYS 615 Cb 0.65 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1a31 h LYS 615 CO 0.05 0.77 -0.06 0.82 -0.57 0.00 0.00 179.45 180.46 1a31 h ILE 616 N 1.04 0.95 -0.09 1.86 2.04 -0.83 0.91 117.51 123.39 1a31 h ILE 616 Ca 0.26 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.86 1a31 h ILE 616 Cb 0.05 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1a31 h ILE 616 CO -0.04 0.06 -0.09 -0.07 0.00 0.00 0.00 178.15 178.01 1a31 h LEU 617 N 0.00 0.24 -0.91 1.44 3.38 0.45 -0.19 115.31 119.71 1a31 h LEU 617 Ca -0.00 -0.48 0.17 0.00 0.09 0.00 0.00 57.88 57.66 1a31 h LEU 617 Cb 0.12 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.70 1a31 h LEU 617 CO 0.01 0.67 0.50 0.28 0.09 0.00 0.00 178.44 179.98 1a31 h SER 618 N -0.19 0.61 -0.66 -0.43 0.02 0.21 1.03 113.55 114.15 1a31 h SER 618 Ca 0.02 0.10 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1a31 h SER 618 Cb 0.60 -0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.09 1a31 h SER 618 CO 0.02 0.23 0.41 0.22 -1.14 0.00 0.00 176.83 176.57 1a31 h TYR 619 N 0.66 0.77 -0.24 3.45 3.20 0.15 0.39 116.97 125.36 1a31 h TYR 619 Ca 0.51 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.28 1a31 h TYR 619 Cb 0.76 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1a31 h TYR 619 CO -0.06 0.44 -0.37 -0.91 -1.64 0.00 0.00 178.16 175.61 1a31 h ASN 620 N 0.81 0.55 -0.29 -2.11 4.21 0.21 0.63 115.58 119.58 1a31 h ASN 620 Ca 0.27 -0.23 -0.07 0.00 1.21 0.00 0.00 56.30 57.48 1a31 h ASN 620 Cb 0.02 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.06 1a31 h ASN 620 CO -0.11 0.88 -0.08 0.03 -1.29 0.00 0.00 177.43 176.86 1a31 h ARG 621 N 0.44 0.57 -0.66 0.81 3.08 0.17 0.30 114.38 119.10 1a31 h ARG 621 Ca 0.04 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 1a31 h ARG 621 Cb 0.85 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1a31 h ARG 621 CO 0.07 0.77 0.12 0.00 -1.07 0.00 0.00 179.97 179.86 1a31 h ALA 622 N 0.78 0.87 0.00 0.04 0.00 -0.03 0.13 119.26 121.06 1a31 h ALA 622 Ca 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1a31 h ALA 622 Cb 0.57 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1a31 h ALA 622 CO 0.03 0.63 0.00 -1.71 0.00 0.00 0.00 179.25 178.20 1a31 n ASN 623 N -4.25 0.00 -0.05 0.00 5.15 0.22 -3.55 115.26 112.77 1a31 n ASN 623 Ca 0.04 -0.26 -0.02 0.00 -0.60 0.00 0.00 54.58 53.75 1a31 n ASN 623 Cb 0.28 -0.14 -0.01 0.00 -0.53 0.00 0.00 39.78 39.39 1a31 n ASN 623 CO 0.00 0.00 0.00 0.03 1.40 0.00 0.00 177.26 178.69 1a31 h ARG 624 N 0.00 0.00 -0.14 1.20 -0.00 0.25 -3.37 114.38 112.32 1a31 h ARG 624 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.98 59.52 1a31 h ARG 624 Cb 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.04 1a31 h ARG 624 CO 0.00 0.00 0.18 0.00 0.00 0.00 0.00 179.97 180.15 1a31 h ALA 625 N -1.06 1.68 -3.00 0.04 0.00 -1.62 -3.51 119.26 111.79 1a31 h ALA 625 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a31 h ALA 625 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1a31 h ALA 625 CO 0.00 -0.25 0.00 1.55 0.00 0.00 0.00 179.25 180.55 1a31 n VAL 626 N -3.69 0.00 0.00 0.00 3.14 -1.24 -5.06 118.33 111.49 1a31 n VAL 626 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 1a31 n VAL 626 Cb 0.29 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 1a31 n VAL 626 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1a31 n LYS 720 N 0.00 0.00 0.00 1.45 4.76 -1.26 -5.01 118.16 118.10 1a31 n LYS 720 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1a31 n LYS 720 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1a31 n LYS 720 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1a31 n LEU 721 N 0.00 0.00 -1.18 -0.35 4.77 -1.26 -3.34 117.00 115.64 1a31 n LEU 721 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1a31 n LEU 721 Cb 0.00 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.35 1a31 n LEU 721 CO 0.00 0.00 0.77 0.59 -1.33 0.00 0.00 177.39 177.42 1a31 n ASN 722 N -0.63 3.84 -1.21 -1.43 3.02 -1.26 -5.04 115.26 112.55 1a31 n ASN 722 Ca 0.00 -3.21 0.00 0.00 -0.03 0.00 0.00 54.58 51.34 1a31 n ASN 722 Cb 0.00 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 1a31 n ASN 722 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a31 n LEU 724 N -0.54 0.00 -4.62 3.41 4.77 -1.21 -5.00 117.00 113.81 1a31 n LEU 724 Ca 0.27 0.77 -0.43 0.00 -0.03 0.00 0.00 56.01 56.59 1a31 n LEU 724 Cb 1.02 -1.15 -0.03 0.00 -2.33 0.00 0.00 43.42 40.94 1a31 n LEU 724 CO 0.22 -0.50 1.67 -0.62 -1.33 0.00 0.00 177.39 176.82 1a31 s ASP 725 N 0.00 5.90 0.53 -1.43 -1.08 -1.26 -4.81 116.67 114.52 1a31 s ASP 725 Ca 0.00 1.95 0.23 0.00 -0.52 0.00 0.00 52.55 54.21 1a31 s ASP 725 Cb 0.00 -2.52 1.36 0.00 -1.46 0.00 0.00 42.92 40.30 1a31 s ASP 725 CO 0.00 -1.59 2.04 1.55 0.52 0.00 0.00 175.17 177.69 1a31 h PRO 726 N 12.99 0.00 -0.63 4.34 0.13 -1.99 -0.34 132.00 146.50 1a31 h PRO 726 Ca -0.41 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.85 1a31 h PRO 726 Cb 1.21 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1a31 h PRO 726 CO 0.97 0.00 0.43 0.00 -0.23 0.00 0.00 178.00 179.17 1a31 h ARG 727 N 0.00 0.31 -0.42 0.86 3.08 -1.87 0.69 114.38 117.02 1a31 h ARG 727 Ca 0.18 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.21 1a31 h ARG 727 Cb 0.71 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1a31 h ARG 727 CO -0.00 0.20 0.28 0.82 -1.07 0.00 0.00 179.97 180.20 1a31 h ILE 728 N 0.32 1.10 0.00 2.04 2.04 -1.43 0.23 117.51 121.81 1a31 h ILE 728 Ca 0.30 -0.19 -0.10 0.00 1.00 0.00 0.00 64.86 65.86 1a31 h ILE 728 Cb 0.74 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1a31 h ILE 728 CO -0.07 0.10 -0.48 0.74 0.00 0.00 0.00 178.15 178.44 1a31 h THR 729 N 0.57 0.97 -0.47 -0.27 2.02 -1.37 -2.61 112.91 111.74 1a31 h THR 729 Ca 0.16 -1.92 -0.10 0.00 0.77 0.00 0.00 66.41 65.31 1a31 h THR 729 Cb -0.06 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1a31 h THR 729 CO -0.04 0.47 -0.11 0.58 0.37 0.00 0.00 175.52 176.79 1a31 h VAL 730 N 0.00 1.27 0.43 3.16 2.07 -0.06 -2.48 116.25 120.64 1a31 h VAL 730 Ca -0.00 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 1a31 h VAL 730 Cb 1.13 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1a31 h VAL 730 CO 0.06 0.43 -0.21 0.00 0.02 0.00 0.00 177.57 177.87 1a31 h ALA 731 N 0.88 -0.58 -0.69 1.67 0.00 -0.31 -3.01 119.26 117.21 1a31 h ALA 731 Ca 0.12 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.98 1a31 h ALA 731 Cb 0.66 0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 1a31 h ALA 731 CO 0.05 -0.75 0.28 2.35 0.00 0.00 0.00 179.25 181.18 1a31 h TRP 732 N -0.74 0.49 -0.30 0.00 7.01 -1.50 -1.55 115.95 119.37 1a31 h TRP 732 Ca -0.06 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.96 1a31 h TRP 732 Cb 0.52 -0.12 -0.02 0.00 -2.10 0.00 0.00 29.16 27.45 1a31 h TRP 732 CO -0.01 0.11 0.14 0.00 -2.79 0.00 0.00 178.44 175.89 1a31 h LYS 734 N 0.41 -0.03 -0.96 0.00 1.57 -1.21 0.94 116.57 117.30 1a31 h LYS 734 Ca 0.11 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.07 1a31 h LYS 734 Cb 0.06 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 32.29 1a31 h LYS 734 CO -0.01 0.64 0.61 0.87 -0.57 0.00 0.00 179.45 180.99 1a31 h LYS 735 N -0.96 0.64 -0.73 3.15 1.57 -1.30 0.25 116.57 119.20 1a31 h LYS 735 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1a31 h LYS 735 Cb 0.68 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1a31 h LYS 735 CO 0.00 0.42 0.00 0.91 -0.57 0.00 0.00 179.45 180.22 1a31 n TRP 736 N -4.64 0.98 -1.44 -1.35 5.03 -0.55 -4.94 117.44 110.53 1a31 n TRP 736 Ca 0.21 -0.50 -0.16 0.00 3.03 0.00 0.00 57.50 60.08 1a31 n TRP 736 Cb 0.59 -0.01 -0.07 0.00 -1.03 0.00 0.00 31.31 30.79 1a31 n TRP 736 CO 0.00 0.00 0.00 0.41 -0.03 0.00 0.00 177.69 178.07 1a31 n GLY 737 N 1.61 1.49 3.63 6.99 0.00 0.08 -4.93 105.19 114.07 1a31 n GLY 737 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 1a31 n GLY 737 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a31 s VAL 738 N -2.31 4.69 0.18 1.61 1.01 0.32 -4.97 120.40 120.93 1a31 s VAL 738 Ca 0.00 1.57 -0.33 0.00 0.00 0.00 0.00 61.98 63.22 1a31 s VAL 738 Cb 0.00 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.99 1a31 s VAL 738 CO 0.00 -0.28 1.45 -0.81 0.00 0.00 0.00 175.10 175.46 1a31 n PRO 739 N 6.39 1.88 -0.18 2.72 -0.04 -1.26 -4.36 135.00 140.15 1a31 n PRO 739 Ca 0.08 0.68 0.14 0.00 -0.04 0.00 0.00 63.50 64.35 1a31 n PRO 739 Cb 0.47 -2.36 0.47 0.00 -0.04 0.00 0.00 33.50 32.04 1a31 n PRO 739 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1a31 h ILE 740 N 3.29 0.82 -0.28 0.52 2.04 -1.93 0.29 117.51 122.26 1a31 h ILE 740 Ca -0.45 -0.17 0.08 0.00 1.00 0.00 0.00 64.86 65.32 1a31 h ILE 740 Cb 1.28 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 1a31 h ILE 740 CO 0.81 0.09 0.33 -0.33 0.00 0.00 0.00 178.15 179.04 1a31 h GLU 741 N 0.49 0.00 0.00 2.37 4.39 -1.87 0.85 114.58 120.82 1a31 h GLU 741 Ca 0.38 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 60.02 1a31 h GLU 741 Cb 0.76 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1a31 h GLU 741 CO -0.13 0.00 -0.25 1.57 -1.16 0.00 0.00 179.01 179.04 1a31 h LYS 742 N 0.00 0.00 0.00 2.33 5.09 -0.75 -3.37 116.57 119.86 1a31 h LYS 742 Ca 0.13 0.00 -0.22 0.00 0.09 0.00 0.00 60.65 60.66 1a31 h LYS 742 Cb 0.78 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.08 1a31 h LYS 742 CO -0.00 0.25 -1.76 -0.89 -2.09 0.00 0.00 179.45 174.96 1a31 n ILE 743 N -3.34 0.75 -3.95 0.07 5.41 0.08 -5.00 119.36 113.38 1a31 n ILE 743 Ca 0.01 -0.23 -0.35 0.00 1.00 0.00 0.00 62.75 63.18 1a31 n ILE 743 Cb 0.48 -1.38 -0.09 0.00 -0.71 0.00 0.00 39.64 37.95 1a31 n ILE 743 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1a31 s TYR 744 N -2.25 3.34 1.02 1.39 2.02 0.03 -5.10 117.35 117.78 1a31 s TYR 744 Ca -0.18 0.22 -0.17 0.00 -0.37 0.00 0.00 57.07 56.57 1a31 s TYR 744 Cb 0.06 -2.05 0.24 0.00 -0.40 0.00 0.00 41.96 39.81 1a31 s TYR 744 CO 0.27 0.31 1.33 0.27 -1.57 0.00 0.00 175.55 176.16 1a31 n ASN 745 N 3.15 -0.08 -0.21 2.29 0.23 -1.26 -4.21 115.26 115.17 1a31 n ASN 745 Ca -0.17 -1.46 -0.04 0.00 -0.53 0.00 0.00 54.58 52.37 1a31 n ASN 745 Cb 0.53 -1.03 0.02 0.00 -2.08 0.00 0.00 39.78 37.21 1a31 n ASN 745 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 1a31 h LYS 746 N 0.00 -0.13 -0.38 -3.83 5.09 -1.98 0.11 116.57 115.44 1a31 h LYS 746 Ca -0.44 0.01 -0.09 0.00 0.09 0.00 0.00 60.65 60.22 1a31 h LYS 746 Cb 1.21 0.03 -0.02 0.00 0.10 0.00 0.00 32.23 33.55 1a31 h LYS 746 CO 0.31 -0.09 -0.14 1.15 -2.09 0.00 0.00 179.45 178.58 1a31 h THR 747 N -0.14 1.26 -0.40 0.07 2.02 -1.98 0.19 112.91 113.94 1a31 h THR 747 Ca 0.25 -1.18 -0.11 0.00 0.77 0.00 0.00 66.41 66.14 1a31 h THR 747 Cb 0.55 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1a31 h THR 747 CO -0.69 0.40 -0.21 1.56 0.37 0.00 0.00 175.52 176.95 1a31 h GLN 748 N 0.63 0.78 -0.21 6.66 4.20 -1.69 0.77 115.11 126.26 1a31 h GLN 748 Ca 0.10 -0.31 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1a31 h GLN 748 Cb 0.60 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1a31 h GLN 748 CO 0.04 0.93 -0.24 0.00 -0.67 0.00 0.00 178.83 178.88 1a31 h ARG 749 N 0.68 0.38 0.75 1.46 3.08 -0.28 1.33 114.38 121.78 1a31 h ARG 749 Ca 0.10 -0.13 -0.04 0.00 0.07 0.00 0.00 59.98 59.98 1a31 h ARG 749 Cb 0.72 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.75 1a31 h ARG 749 CO 0.06 0.60 -0.36 0.93 -1.07 0.00 0.00 179.97 180.13 1a31 h GLU 750 N 0.34 -0.96 -0.60 0.04 4.39 0.10 -1.13 114.58 116.76 1a31 h GLU 750 Ca 0.05 0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1a31 h GLU 750 Cb 0.61 0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 1a31 h GLU 750 CO 0.04 -0.62 0.39 -0.22 -1.16 0.00 0.00 179.01 177.44 1a31 h LYS 751 N -1.11 0.76 -0.70 2.33 3.64 0.90 -3.01 116.57 119.38 1a31 h LYS 751 Ca -0.10 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 1a31 h LYS 751 Cb 0.79 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1a31 h LYS 751 CO 0.17 0.50 0.01 1.19 -2.27 0.00 0.00 179.45 179.05 1a31 n PHE 752 N -4.69 1.58 -0.30 1.91 3.72 0.45 -4.53 117.46 115.60 1a31 n PHE 752 Ca 0.05 -0.56 0.23 0.00 -0.05 0.00 0.00 57.45 57.12 1a31 n PHE 752 Cb 0.04 -0.42 0.54 0.00 -0.94 0.00 0.00 39.48 38.70 1a31 n PHE 752 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1a31 h ALA 753 N 3.44 2.33 -0.29 4.37 0.00 -1.06 0.36 119.26 128.41 1a31 h ALA 753 Ca 0.01 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1a31 h ALA 753 Cb 1.63 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1a31 h ALA 753 CO 0.38 -0.70 -0.45 0.11 0.00 0.00 0.00 179.25 178.59 1a31 h TRP 754 N 0.35 0.93 -0.02 0.00 5.08 -1.86 -0.96 115.95 119.47 1a31 h TRP 754 Ca 0.56 -0.29 -0.24 0.00 1.08 0.00 0.00 58.89 59.99 1a31 h TRP 754 Cb 1.51 -0.19 0.01 0.00 -3.00 0.00 0.00 29.16 27.49 1a31 h TRP 754 CO -0.00 1.07 -0.97 0.00 -1.28 0.00 0.00 178.44 177.26 1a31 h ALA 755 N 0.88 0.26 -0.36 0.11 0.00 -1.47 -1.98 119.26 116.69 1a31 h ALA 755 Ca 0.04 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.23 1a31 h ALA 755 Cb 1.02 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1a31 h ALA 755 CO 0.10 0.74 0.12 0.82 0.00 0.00 0.00 179.25 181.03 1a31 h ILE 756 N 0.34 1.15 0.00 0.00 2.04 -0.83 -2.86 117.51 117.35 1a31 h ILE 756 Ca -0.10 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.19 1a31 h ILE 756 Cb 1.61 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 1a31 h ILE 756 CO 0.18 0.19 -1.96 -0.67 0.00 0.00 0.00 178.15 175.89 1a31 n ASP 757 N -4.37 0.10 -1.32 1.72 2.03 -0.38 -4.45 116.55 109.88 1a31 n ASP 757 Ca 0.02 0.04 0.08 0.00 0.52 0.00 0.00 54.79 55.45 1a31 n ASP 757 Cb 0.16 1.65 0.31 0.00 -0.72 0.00 0.00 41.12 42.52 1a31 n ASP 757 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 1a31 n MET 758 N -2.39 3.60 -4.28 -0.67 0.00 -0.75 -4.96 117.12 107.67 1a31 n MET 758 Ca -0.08 -2.80 -0.17 0.00 0.00 0.00 0.00 57.70 54.64 1a31 n MET 758 Cb 0.67 -1.85 -0.15 0.00 0.00 0.00 0.00 33.22 31.89 1a31 n MET 758 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1a31 s ALA 759 N -2.13 0.61 0.40 3.17 0.00 -1.09 -5.02 121.76 117.71 1a31 s ALA 759 Ca 0.45 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 52.17 1a31 s ALA 759 Cb 0.32 -0.16 -0.07 0.00 0.00 0.00 0.00 23.12 23.21 1a31 s ALA 759 CO 0.18 0.15 0.07 -0.51 0.00 0.00 0.00 175.76 175.64 1a31 s ASP 760 N -0.18 4.10 0.00 0.00 1.11 -1.26 -4.79 116.67 115.65 1a31 s ASP 760 Ca 0.03 -1.21 0.00 0.00 0.18 0.00 0.00 52.55 51.54 1a31 s ASP 760 Cb -0.03 -0.44 0.00 0.00 1.07 0.00 0.00 42.92 43.52 1a31 s ASP 760 CO -0.00 -0.45 0.70 -0.62 1.18 0.00 0.00 175.17 175.98 1a31 n GLU 761 N -1.06 0.00 0.00 8.23 -0.58 -1.26 0.21 120.64 126.18 1a31 n GLU 761 Ca -0.03 0.22 0.12 0.00 -0.42 0.00 0.00 57.16 57.05 1a31 n GLU 761 Cb 0.65 -1.74 0.17 0.00 -0.57 0.00 0.00 31.44 29.96 1a31 n GLU 761 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1a31 n ASP 762 N -1.20 0.89 -4.71 1.62 5.68 -1.26 -4.75 116.55 112.81 1a31 n ASP 762 Ca 0.00 -0.69 -0.43 0.00 -0.50 0.00 0.00 54.79 53.17 1a31 n ASP 762 Cb 0.24 0.41 -0.02 0.00 -1.14 0.00 0.00 41.12 40.61 1a31 n ASP 762 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1a31 n TYR 763 N -1.15 2.46 -3.56 2.11 9.36 0.55 -5.00 117.16 121.93 1a31 n TYR 763 Ca 0.07 0.39 -0.19 0.00 3.32 0.00 0.00 57.90 61.49 1a31 n TYR 763 Cb 0.35 -2.50 -0.14 0.00 -0.63 0.00 0.00 39.34 36.42 1a31 n TYR 763 CO 0.00 0.00 0.00 -1.83 0.22 0.00 0.00 176.86 175.25 1a31 s GLU 764 N -0.74 0.14 0.00 2.98 4.04 -1.26 -4.92 118.70 118.94 1a31 s GLU 764 Ca 0.64 0.28 0.00 0.00 0.04 0.00 0.00 54.97 55.93 1a31 s GLU 764 Cb -0.58 -1.02 0.00 0.00 0.02 0.00 0.00 34.13 32.56 1a31 s GLU 764 CO 0.52 -0.56 0.25 0.34 -1.84 0.00 0.00 175.26 173.97