#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrj s LYS 202 N 0.00 0.29 -0.28 -1.09 1.02 -1.26 -5.12 119.74 113.31 1rrj s LYS 202 Ca 0.00 -0.45 -0.28 0.00 0.02 0.00 0.00 55.97 55.26 1rrj s LYS 202 Cb 0.00 -1.62 0.01 0.00 -0.52 0.00 0.00 37.83 35.70 1rrj s LYS 202 CO 0.00 -0.85 1.03 -0.46 -0.92 0.00 0.00 175.35 174.14 1rrj s TRP 203 N 2.01 3.24 -1.16 3.18 -0.00 -1.26 -4.97 118.94 119.98 1rrj s TRP 203 Ca 0.05 1.27 -0.12 0.00 -0.00 0.00 0.00 56.10 57.30 1rrj s TRP 203 Cb -0.16 -3.46 0.22 0.00 -0.00 0.00 0.00 33.47 30.06 1rrj s TRP 203 CO -0.23 -0.62 1.29 0.15 -0.00 0.00 0.00 176.95 177.54 1rrj s LYS 204 N 3.38 4.13 0.56 5.86 1.02 -1.26 -4.82 119.74 128.61 1rrj s LYS 204 Ca 0.43 -2.84 0.33 0.00 0.02 0.00 0.00 55.97 53.92 1rrj s LYS 204 Cb -0.14 -4.84 1.68 0.00 -0.52 0.00 0.00 37.83 34.01 1rrj s LYS 204 CO 0.11 -1.54 2.13 0.11 -0.92 0.00 0.00 175.35 175.24 1rrj h TRP 205 N 6.99 0.00 0.00 3.18 5.08 -1.99 -2.82 115.95 126.39 1rrj h TRP 205 Ca 0.25 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.22 1rrj h TRP 205 Cb 0.88 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.04 1rrj h TRP 205 CO 0.96 0.06 0.00 0.11 -1.28 0.00 0.00 178.44 178.29 1rrj h TRP 206 N 0.00 0.00 -0.01 0.12 0.09 -1.98 -2.69 115.95 111.48 1rrj h TRP 206 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1rrj h TRP 206 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.52 1rrj h TRP 206 CO 0.00 0.00 -0.26 0.39 0.09 0.00 0.00 178.44 178.66 1rrj n GLU 207 N -2.51 1.17 -2.25 0.12 1.02 -1.06 -4.93 120.64 112.19 1rrj n GLU 207 Ca 0.02 -0.81 -0.27 0.00 -0.02 0.00 0.00 57.16 56.08 1rrj n GLU 207 Cb 0.26 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.24 1rrj n GLU 207 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1rrj s GLU 208 N -2.38 2.67 0.05 3.49 0.41 -1.02 -5.02 118.70 116.89 1rrj s GLU 208 Ca 0.25 -0.01 -0.31 0.00 -0.41 0.00 0.00 54.97 54.49 1rrj s GLU 208 Cb 0.19 -2.20 -0.06 0.00 -1.78 0.00 0.00 34.13 30.28 1rrj s GLU 208 CO 0.49 -0.93 1.33 -2.00 -0.49 0.00 0.00 175.26 173.66 1rrj s GLU 209 N -5.13 4.34 0.26 1.61 2.12 -1.26 -4.94 118.70 115.70 1rrj s GLU 209 Ca 0.57 1.93 -0.29 0.00 0.36 0.00 0.00 54.97 57.53 1rrj s GLU 209 Cb -0.11 -3.41 -0.15 0.00 0.26 0.00 0.00 34.13 30.72 1rrj s GLU 209 CO 0.46 -0.44 0.98 0.54 -0.54 0.00 0.00 175.26 176.26 1rrj n ARG 210 N 4.54 1.17 -1.96 4.30 5.12 -1.26 -4.91 116.66 123.67 1rrj n ARG 210 Ca 0.11 0.41 -0.42 0.00 -1.93 0.00 0.00 57.85 56.02 1rrj n ARG 210 Cb 0.44 -1.76 -0.03 0.00 -1.16 0.00 0.00 32.46 29.95 1rrj n ARG 210 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 1rrj s TYR 211 N -0.89 2.85 0.97 -1.55 6.14 -1.26 -4.99 117.35 118.62 1rrj s TYR 211 Ca 0.62 0.55 -0.12 0.00 0.64 0.00 0.00 57.07 58.76 1rrj s TYR 211 Cb -0.75 -3.92 0.12 0.00 0.42 0.00 0.00 41.96 37.83 1rrj s TYR 211 CO 0.58 -3.47 0.81 -2.30 0.64 0.00 0.00 175.55 171.81 1rrj n PRO 212 N 4.55 -0.70 -2.70 4.97 -0.02 -1.26 -5.00 135.00 134.84 1rrj n PRO 212 Ca 0.14 -0.15 -0.37 0.00 -2.02 0.00 0.00 63.50 61.10 1rrj n PRO 212 Cb 0.40 -2.14 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 1rrj n PRO 212 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1rrj s GLU 213 N -4.20 4.47 0.12 -0.52 -6.30 -1.26 -4.48 118.70 106.53 1rrj s GLU 213 Ca 0.63 1.40 0.00 0.00 -2.50 0.00 0.00 54.97 54.50 1rrj s GLU 213 Cb -0.22 -2.73 0.00 0.00 0.00 0.00 0.00 34.13 31.18 1rrj s GLU 213 CO 0.63 0.16 0.00 0.41 0.02 0.00 0.00 175.26 176.47 1rrj n GLY 214 N 0.49 1.25 3.71 -1.50 0.00 -1.26 -4.98 105.19 102.91 1rrj n GLY 214 Ca 0.03 -0.59 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1rrj n GLY 214 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rrj s ILE 215 N 0.00 3.01 -0.12 -0.61 1.01 -1.26 -4.66 121.20 118.57 1rrj s ILE 215 Ca 0.00 0.68 0.17 0.00 0.00 0.00 0.00 60.65 61.49 1rrj s ILE 215 Cb 0.00 -3.43 -0.21 0.00 0.01 0.00 0.00 42.46 38.82 1rrj s ILE 215 CO 0.00 0.04 0.52 0.29 0.00 0.00 0.00 174.94 175.79 1rrj n LYS 216 N 4.29 0.65 -3.55 2.79 4.76 -0.03 -4.74 118.16 122.32 1rrj n LYS 216 Ca 0.13 0.13 -0.11 0.00 -2.87 0.00 0.00 58.31 55.59 1rrj n LYS 216 Cb 0.41 -1.69 -0.02 0.00 -1.84 0.00 0.00 35.03 31.88 1rrj n LYS 216 CO 0.00 0.00 0.00 1.67 -1.37 0.00 0.00 177.40 177.70 1rrj s TRP 217 N -2.77 -0.42 -0.12 2.13 1.48 -1.25 -5.06 118.94 112.93 1rrj s TRP 217 Ca -0.06 0.14 0.04 0.00 -1.06 0.00 0.00 56.10 55.15 1rrj s TRP 217 Cb 0.08 0.57 -0.10 0.00 -1.16 0.00 0.00 33.47 32.86 1rrj s TRP 217 CO 0.83 -0.93 -0.07 1.63 -4.06 0.00 0.00 176.95 174.35 1rrj n LYS 218 N -0.39 0.96 -4.51 3.25 5.02 -1.26 -4.86 118.16 116.37 1rrj n LYS 218 Ca -0.14 0.05 -0.23 0.00 -2.02 0.00 0.00 58.31 55.97 1rrj n LYS 218 Cb 0.63 -1.26 -0.14 0.00 -0.02 0.00 0.00 35.03 34.24 1rrj n LYS 218 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1rrj s PHE 219 N -2.26 1.54 -0.28 2.13 5.36 -1.26 -4.91 117.98 118.30 1rrj s PHE 219 Ca -0.14 -0.36 -0.07 0.00 -0.96 0.00 0.00 56.93 55.40 1rrj s PHE 219 Cb 0.04 -0.92 0.13 0.00 -0.34 0.00 0.00 43.02 41.94 1rrj s PHE 219 CO 0.34 0.06 0.58 -1.17 -1.46 0.00 0.00 175.22 173.58 1rrj s LEU 220 N -1.14 -1.07 -0.03 6.12 2.96 -1.26 -2.85 118.68 121.41 1rrj s LEU 220 Ca 0.05 1.26 -0.00 0.00 -0.22 0.00 0.00 54.13 55.22 1rrj s LEU 220 Cb -0.08 2.04 0.03 0.00 0.50 0.00 0.00 46.19 48.67 1rrj s LEU 220 CO 0.01 -0.23 0.02 -0.70 -1.32 0.00 0.00 176.35 174.13 1rrj s GLU 221 N 2.82 0.08 0.14 1.98 2.12 -0.50 -1.85 118.70 123.49 1rrj s GLU 221 Ca 0.01 0.17 -0.10 0.00 0.36 0.00 0.00 54.97 55.42 1rrj s GLU 221 Cb -0.13 -0.37 -0.00 0.00 0.26 0.00 0.00 34.13 33.89 1rrj s GLU 221 CO -0.18 -0.18 0.28 -3.38 -0.54 0.00 0.00 175.26 171.26 1rrj s HIS 222 N 1.20 0.29 -2.19 5.30 -3.43 -1.26 -0.32 115.29 114.88 1rrj s HIS 222 Ca -0.07 -0.66 0.18 0.00 -0.80 0.00 0.00 55.06 53.70 1rrj s HIS 222 Cb -0.13 -0.02 0.60 0.00 -1.43 0.00 0.00 32.58 31.59 1rrj s HIS 222 CO -0.03 -0.68 1.45 1.63 -2.00 0.00 0.00 174.74 175.11 1rrj n LYS 223 N -0.18 1.81 0.00 -0.38 4.76 -1.26 -4.23 118.16 118.68 1rrj n LYS 223 Ca -0.10 -1.24 0.00 0.00 -2.87 0.00 0.00 58.31 54.10 1rrj n LYS 223 Cb 0.63 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 1rrj n LYS 223 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1rrj n GLY 224 N 1.14 -2.19 3.90 0.72 0.00 -1.26 -4.80 105.19 102.70 1rrj n GLY 224 Ca 0.15 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 1rrj n GLY 224 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rrj s PRO 225 N -0.29 3.49 -0.24 1.61 0.04 -1.26 -4.97 135.00 133.38 1rrj s PRO 225 Ca 0.00 0.33 -0.12 0.00 0.04 0.00 0.00 61.00 61.25 1rrj s PRO 225 Cb 0.00 -2.28 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 1rrj s PRO 225 CO 0.00 -0.36 0.21 0.08 0.04 0.00 0.00 177.00 176.98 1rrj s VAL 226 N -2.89 5.31 0.28 -0.36 1.01 -0.43 -5.01 120.40 118.31 1rrj s VAL 226 Ca 0.50 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.57 1rrj s VAL 226 Cb -0.10 -3.55 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1rrj s VAL 226 CO 0.47 0.30 0.77 -0.36 0.00 0.00 0.00 175.10 176.28 1rrj s PHE 227 N 1.31 3.55 0.43 5.22 0.08 -1.26 -1.83 117.98 125.48 1rrj s PHE 227 Ca 0.10 1.40 -0.26 0.00 0.12 0.00 0.00 56.93 58.29 1rrj s PHE 227 Cb -0.14 -2.64 -0.08 0.00 -0.57 0.00 0.00 43.02 39.58 1rrj s PHE 227 CO 0.07 0.22 1.39 0.00 -0.10 0.00 0.00 175.22 176.80 1rrj s ALA 228 N -1.71 3.26 0.52 5.36 0.00 -1.26 -4.93 121.76 123.00 1rrj s ALA 228 Ca 0.48 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.62 1rrj s ALA 228 Cb -0.14 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.35 1rrj s ALA 228 CO 0.20 -1.08 1.23 -0.35 0.00 0.00 0.00 175.76 175.76 1rrj n PRO 229 N -0.07 1.57 -1.03 0.00 -0.04 -1.26 -4.96 135.00 129.21 1rrj n PRO 229 Ca 0.04 0.57 -0.33 0.00 -0.04 0.00 0.00 63.50 63.74 1rrj n PRO 229 Cb 0.42 -2.41 0.13 0.00 -0.04 0.00 0.00 33.50 31.60 1rrj n PRO 229 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1rrj n PRO 230 N -0.67 0.05 -2.19 0.54 -0.04 -1.26 -4.93 135.00 126.50 1rrj n PRO 230 Ca 0.10 0.09 -0.42 0.00 -0.04 0.00 0.00 63.50 63.23 1rrj n PRO 230 Cb 0.43 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.57 1rrj n PRO 230 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1rrj s TYR 231 N -2.20 3.26 -0.35 0.54 5.04 -1.26 -5.00 117.35 117.37 1rrj s TYR 231 Ca 0.70 1.00 -0.12 0.00 -2.44 0.00 0.00 57.07 56.20 1rrj s TYR 231 Cb -0.28 -3.66 0.00 0.00 0.35 0.00 0.00 41.96 38.37 1rrj s TYR 231 CO 0.54 -2.26 0.23 -1.21 -1.34 0.00 0.00 175.55 171.51 1rrj s GLU 232 N 1.01 3.22 0.64 4.97 2.02 -1.26 -5.08 118.70 124.22 1rrj s GLU 232 Ca 0.64 -0.82 -0.18 0.00 0.02 0.00 0.00 54.97 54.62 1rrj s GLU 232 Cb -0.36 -3.78 -0.01 0.00 0.10 0.00 0.00 34.13 30.08 1rrj s GLU 232 CO 0.31 -0.55 1.30 -2.14 0.02 0.00 0.00 175.26 174.20 1rrj s PRO 233 N 1.66 2.60 0.48 0.39 0.02 -1.26 -4.97 135.00 133.92 1rrj s PRO 233 Ca 0.05 2.08 -0.24 0.00 0.02 0.00 0.00 61.00 62.90 1rrj s PRO 233 Cb -0.18 -1.88 -0.07 0.00 0.02 0.00 0.00 34.50 32.39 1rrj s PRO 233 CO 0.09 -1.56 1.37 -0.51 -0.33 0.00 0.00 177.00 176.05 1rrj s LEU 234 N -4.30 4.03 1.20 -5.54 1.43 -1.26 -5.02 118.68 109.23 1rrj s LEU 234 Ca 0.82 2.78 -0.19 0.00 -1.03 0.00 0.00 54.13 56.51 1rrj s LEU 234 Cb -0.38 -4.06 0.28 0.00 0.03 0.00 0.00 46.19 42.06 1rrj s LEU 234 CO 0.40 -1.24 1.10 -2.16 0.23 0.00 0.00 176.35 174.68 1rrj s PRO 235 N -2.59 -1.18 0.17 1.29 0.04 -1.26 -4.96 135.00 126.52 1rrj s PRO 235 Ca 0.64 -0.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.53 1rrj s PRO 235 Cb -0.41 -1.60 0.10 0.00 0.04 0.00 0.00 34.50 32.64 1rrj s PRO 235 CO 0.51 -3.69 1.78 1.49 0.04 0.00 0.00 177.00 177.13 1rrj h GLU 236 N -2.57 0.44 0.00 4.56 4.81 -2.06 -3.12 114.58 116.64 1rrj h GLU 236 Ca -0.46 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1rrj h GLU 236 Cb 1.30 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1rrj h GLU 236 CO 0.36 0.29 0.00 0.27 -0.73 0.00 0.00 179.01 179.20 1rrj n ASN 237 N -4.91 0.02 -4.36 1.04 6.94 -1.26 -4.48 115.26 108.25 1rrj n ASN 237 Ca 0.03 0.50 -0.46 0.00 -0.02 0.00 0.00 54.58 54.64 1rrj n ASN 237 Cb 0.12 -0.51 -0.04 0.00 -2.36 0.00 0.00 39.78 36.99 1rrj n ASN 237 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1rrj s VAL 238 N -3.01 5.11 0.10 3.53 1.01 -1.18 -5.04 120.40 120.93 1rrj s VAL 238 Ca 0.09 -1.59 -0.10 0.00 0.00 0.00 0.00 61.98 60.38 1rrj s VAL 238 Cb 0.12 -4.49 -0.06 0.00 0.00 0.00 0.00 36.38 31.95 1rrj s VAL 238 CO 0.34 -1.09 0.43 -0.54 0.00 0.00 0.00 175.10 174.24 1rrj s LYS 239 N 1.75 3.78 -0.05 2.72 3.01 -1.26 -4.81 119.74 124.88 1rrj s LYS 239 Ca 0.14 0.20 -0.01 0.00 -1.01 0.00 0.00 55.97 55.29 1rrj s LYS 239 Cb -0.19 -2.95 -0.04 0.00 -1.01 0.00 0.00 37.83 33.64 1rrj s LYS 239 CO -0.01 0.52 0.03 0.12 0.51 0.00 0.00 175.35 176.53 1rrj s PHE 240 N -1.46 3.21 -0.04 3.18 5.36 -1.26 -4.42 117.98 122.55 1rrj s PHE 240 Ca 0.35 0.20 0.04 0.00 -0.96 0.00 0.00 56.93 56.56 1rrj s PHE 240 Cb -0.14 -1.76 -0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1rrj s PHE 240 CO 0.19 0.51 -0.15 0.71 -1.46 0.00 0.00 175.22 175.02 1rrj s TYR 241 N -1.02 1.55 -0.09 10.12 1.51 -1.18 -2.03 117.35 126.21 1rrj s TYR 241 Ca 0.17 -0.45 0.02 0.00 -1.01 0.00 0.00 57.07 55.80 1rrj s TYR 241 Cb -0.12 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1rrj s TYR 241 CO 0.07 -0.16 -0.13 -0.47 -1.11 0.00 0.00 175.55 173.74 1rrj s TYR 242 N 0.11 1.74 -1.39 2.71 5.04 -0.64 -0.73 117.35 124.20 1rrj s TYR 242 Ca -0.05 -0.76 -0.07 0.00 -2.44 0.00 0.00 57.07 53.75 1rrj s TYR 242 Cb -0.11 -1.28 0.04 0.00 0.35 0.00 0.00 41.96 40.96 1rrj s TYR 242 CO 0.02 -0.41 0.51 -3.47 -1.34 0.00 0.00 175.55 170.86 1rrj n ASP 243 N 4.14 -4.78 0.00 4.32 4.64 -0.86 -1.31 116.55 122.70 1rrj n ASP 243 Ca -0.20 -0.31 0.00 0.00 -1.38 0.00 0.00 54.79 52.91 1rrj n ASP 243 Cb 0.51 -3.91 0.00 0.00 -1.04 0.00 0.00 41.12 36.68 1rrj n ASP 243 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1rrj n GLY 244 N -1.30 2.10 3.68 0.27 0.00 -1.26 -5.02 105.19 103.66 1rrj n GLY 244 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1rrj n GLY 244 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rrj s LYS 245 N -0.01 2.85 0.33 1.61 1.02 -0.43 -5.05 119.74 120.06 1rrj s LYS 245 Ca 0.00 -0.53 -0.29 0.00 0.02 0.00 0.00 55.97 55.17 1rrj s LYS 245 Cb 0.00 -2.71 -0.12 0.00 -0.52 0.00 0.00 37.83 34.48 1rrj s LYS 245 CO 0.00 0.66 1.48 0.28 -0.92 0.00 0.00 175.35 176.84 1rrj n VAL 246 N 1.71 1.58 -3.67 3.17 0.31 -1.26 -1.61 118.33 118.56 1rrj n VAL 246 Ca -0.16 -0.39 -0.09 0.00 -0.01 0.00 0.00 64.34 63.68 1rrj n VAL 246 Cb 0.53 -1.84 -0.10 0.00 -0.91 0.00 0.00 33.84 31.52 1rrj n VAL 246 CO 0.00 0.00 0.00 -0.32 -1.32 0.00 0.00 176.83 175.19 1rrj s MET 247 N -1.38 0.32 -0.24 5.55 1.75 -0.86 -4.88 119.30 119.57 1rrj s MET 247 Ca 0.59 0.97 -0.18 0.00 -1.25 0.00 0.00 55.69 55.82 1rrj s MET 247 Cb -0.52 0.24 -0.03 0.00 2.84 0.00 0.00 34.83 37.36 1rrj s MET 247 CO 0.57 -0.23 0.51 -1.59 -0.65 0.00 0.00 175.02 173.62 1rrj s LYS 248 N 2.36 4.10 0.21 4.11 -2.85 -1.26 -4.17 119.74 122.24 1rrj s LYS 248 Ca -0.03 0.33 -0.13 0.00 -1.00 0.00 0.00 55.97 55.14 1rrj s LYS 248 Cb -0.11 -3.62 -0.07 0.00 -2.06 0.00 0.00 37.83 31.96 1rrj s LYS 248 CO -0.12 -0.28 0.59 -0.51 0.10 0.00 0.00 175.35 175.12 1rrj s LEU 249 N 2.09 4.23 0.54 2.77 1.43 -1.26 -5.07 118.68 123.41 1rrj s LEU 249 Ca 0.22 1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 54.18 1rrj s LEU 249 Cb -0.16 -3.59 -0.05 0.00 0.03 0.00 0.00 46.19 42.43 1rrj s LEU 249 CO 0.09 -0.02 1.22 -0.94 0.23 0.00 0.00 176.35 176.93 1rrj s SER 250 N -2.06 5.52 0.32 2.29 1.04 -1.26 -4.63 113.70 114.92 1rrj s SER 250 Ca 0.45 2.42 0.09 0.00 0.48 0.00 0.00 55.95 59.39 1rrj s SER 250 Cb -0.13 -2.61 0.92 0.00 0.10 0.00 0.00 66.02 64.30 1rrj s SER 250 CO 0.20 -1.37 1.65 -0.65 0.98 0.00 0.00 173.24 174.05 1rrj h PRO 251 N 1.34 0.26 -0.68 4.02 0.11 -1.97 0.19 132.00 135.28 1rrj h PRO 251 Ca -0.50 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1rrj h PRO 251 Cb 1.28 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1rrj h PRO 251 CO 0.57 0.17 0.26 -0.22 -0.21 0.00 0.00 178.00 178.57 1rrj h LYS 252 N 0.27 1.02 0.10 1.05 3.64 -1.91 -1.25 116.57 119.48 1rrj h LYS 252 Ca 0.65 -0.19 -0.26 0.00 -1.27 0.00 0.00 60.65 59.58 1rrj h LYS 252 Cb 1.42 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1rrj h LYS 252 CO -0.64 0.86 -1.22 0.00 -2.27 0.00 0.00 179.45 176.18 1rrj h ALA 253 N 1.11 0.17 -0.68 5.00 0.00 -1.37 -3.27 119.26 120.22 1rrj h ALA 253 Ca 0.22 -0.91 -0.06 0.00 0.00 0.00 0.00 54.91 54.16 1rrj h ALA 253 Cb 0.23 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1rrj h ALA 253 CO -0.02 1.05 0.20 1.49 0.00 0.00 0.00 179.25 181.97 1rrj h GLU 254 N 0.06 1.05 -0.10 0.00 4.81 -0.44 -2.19 114.58 117.77 1rrj h GLU 254 Ca -0.12 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1rrj h GLU 254 Cb 1.94 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.16 1rrj h GLU 254 CO 0.18 0.91 0.06 1.49 -0.73 0.00 0.00 179.01 180.92 1rrj h GLU 255 N 1.01 0.15 -0.16 1.92 4.81 -1.32 -1.35 114.58 119.62 1rrj h GLU 255 Ca 0.22 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.39 1rrj h GLU 255 Cb 0.31 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1rrj h GLU 255 CO -0.01 0.18 -0.07 0.28 -0.73 0.00 0.00 179.01 178.67 1rrj h VAL 256 N 0.07 1.15 -0.22 0.32 2.07 -1.57 -2.13 116.25 115.94 1rrj h VAL 256 Ca 0.04 -0.62 -0.13 0.00 0.82 0.00 0.00 66.70 66.81 1rrj h VAL 256 Cb 0.08 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1rrj h VAL 256 CO -0.01 0.20 -0.41 0.00 0.02 0.00 0.00 177.57 177.37 1rrj h ALA 257 N 1.70 0.87 -0.17 1.67 0.00 -0.87 -2.91 119.26 119.56 1rrj h ALA 257 Ca 0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 1rrj h ALA 257 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1rrj h ALA 257 CO 0.01 0.64 -0.17 1.79 0.00 0.00 0.00 179.25 181.52 1rrj h THR 258 N 0.44 1.21 -0.56 0.00 1.35 -0.57 -1.98 112.91 112.79 1rrj h THR 258 Ca 0.04 -0.94 -0.07 0.00 -0.55 0.00 0.00 66.41 64.88 1rrj h THR 258 Cb 0.90 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.57 1rrj h THR 258 CO 0.08 0.29 0.07 -0.26 -0.25 0.00 0.00 175.52 175.45 1rrj h PHE 259 N 0.27 1.02 -0.32 4.73 0.04 -1.36 -1.04 116.94 120.27 1rrj h PHE 259 Ca 0.05 -0.15 -0.16 0.00 2.80 0.00 0.00 57.97 60.51 1rrj h PHE 259 Cb 0.46 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.34 1rrj h PHE 259 CO 0.01 0.90 -0.41 0.35 -0.60 0.00 0.00 178.31 178.56 1rrj h PHE 260 N 0.84 1.03 -0.93 -0.55 3.57 -1.52 -3.10 116.94 116.28 1rrj h PHE 260 Ca 0.17 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1rrj h PHE 260 Cb 0.45 -0.21 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1rrj h PHE 260 CO 0.03 1.14 0.59 0.00 -2.23 0.00 0.00 178.31 177.84 1rrj h ALA 261 N 0.72 1.29 0.00 2.41 0.00 -1.11 -1.94 119.26 120.63 1rrj h ALA 261 Ca 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1rrj h ALA 261 Cb 1.00 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1rrj h ALA 261 CO 0.10 0.64 0.00 0.87 0.00 0.00 0.00 179.25 180.85 1rrj h LYS 262 N 1.27 0.00 -0.34 0.00 1.57 -1.13 -2.94 116.57 115.01 1rrj h LYS 262 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1rrj h LYS 262 Cb -0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1rrj h LYS 262 CO -0.07 0.00 0.00 -1.33 -0.57 0.00 0.00 179.45 177.48 1rrj n MET 263 N -2.89 2.26 0.25 3.15 2.81 -0.77 -4.70 117.12 117.23 1rrj n MET 263 Ca 0.01 -2.05 0.18 0.00 -1.81 0.00 0.00 57.70 54.03 1rrj n MET 263 Cb 0.29 -1.40 0.89 0.00 -0.71 0.00 0.00 33.22 32.30 1rrj n MET 263 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1rrj h LEU 264 N 3.37 0.00 -0.23 4.03 5.85 -1.26 -2.04 115.31 125.03 1rrj h LEU 264 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1rrj h LEU 264 Cb 0.82 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1rrj h LEU 264 CO 0.00 0.00 -0.43 0.44 -0.34 0.00 0.00 178.44 178.11 1rrj h ASP 265 N 0.00 0.00 -4.10 1.25 3.45 -1.85 -3.46 116.42 111.72 1rrj h ASP 265 Ca 0.06 0.00 -0.47 0.00 0.43 0.00 0.00 57.03 57.05 1rrj h ASP 265 Cb 0.41 0.00 0.03 0.00 -0.56 0.00 0.00 39.33 39.21 1rrj h ASP 265 CO -0.00 0.43 0.38 -1.00 -1.57 0.00 0.00 179.24 177.48 1rrj s HIS 266 N -3.12 3.05 0.03 4.55 3.76 -0.77 -4.98 115.29 117.81 1rrj s HIS 266 Ca 0.03 1.57 0.20 0.00 -0.15 0.00 0.00 55.06 56.70 1rrj s HIS 266 Cb 0.08 -3.02 0.56 0.00 1.11 0.00 0.00 32.58 31.30 1rrj s HIS 266 CO 0.72 -0.78 1.67 0.93 -0.85 0.00 0.00 174.74 176.43 1rrj h GLU 267 N 1.40 0.00 0.00 1.40 5.08 -1.89 -3.26 114.58 117.32 1rrj h GLU 267 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1rrj h GLU 267 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1rrj h GLU 267 CO 0.59 0.35 0.00 0.10 -1.00 0.00 0.00 179.01 179.05 1rrj h TYR 268 N 0.00 0.00 0.00 4.33 -0.00 -1.93 -1.91 116.97 117.46 1rrj h TYR 268 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1rrj h TYR 268 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.74 1rrj h TYR 268 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 178.16 178.41 1rrj n THR 269 N -2.96 0.44 1.02 -0.90 -2.24 -1.23 -2.41 114.28 105.99 1rrj n THR 269 Ca -0.02 0.11 0.11 0.00 -2.27 0.00 0.00 64.05 61.98 1rrj n THR 269 Cb 0.14 -0.74 0.05 0.00 -2.10 0.00 0.00 70.33 67.68 1rrj n THR 269 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rrj n THR 270 N -1.42 0.00 -2.42 4.28 -2.24 -0.72 -4.71 114.28 107.06 1rrj n THR 270 Ca 0.07 -0.03 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1rrj n THR 270 Cb 0.22 0.73 -0.04 0.00 -2.10 0.00 0.00 70.33 69.14 1rrj n THR 270 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1rrj s LYS 271 N -2.92 4.55 0.20 -0.78 1.02 -1.01 -4.96 119.74 115.84 1rrj s LYS 271 Ca 0.11 1.84 -0.13 0.00 0.02 0.00 0.00 55.97 57.82 1rrj s LYS 271 Cb 0.17 -3.22 0.23 0.00 -0.52 0.00 0.00 37.83 34.49 1rrj s LYS 271 CO 0.76 0.02 1.66 0.93 -0.92 0.00 0.00 175.35 177.80 1rrj h GLU 272 N 4.71 0.07 -0.37 1.68 4.39 -1.93 -1.45 114.58 121.69 1rrj h GLU 272 Ca -0.45 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 1rrj h GLU 272 Cb 1.21 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 1rrj h GLU 272 CO 0.71 0.05 0.06 0.82 -1.16 0.00 0.00 179.01 179.49 1rrj h ILE 273 N 0.08 1.24 -0.21 3.13 2.04 -1.93 -0.97 117.51 120.89 1rrj h ILE 273 Ca 0.29 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.29 1rrj h ILE 273 Cb 0.45 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1rrj h ILE 273 CO -0.51 0.29 0.14 0.15 0.00 0.00 0.00 178.15 178.21 1rrj h PHE 274 N 0.46 0.26 -0.51 1.37 3.57 -1.55 -1.53 116.94 119.01 1rrj h PHE 274 Ca 0.11 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1rrj h PHE 274 Cb 0.37 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1rrj h PHE 274 CO 0.03 0.17 -0.16 0.00 -2.23 0.00 0.00 178.31 176.12 1rrj h ARG 275 N 0.28 1.00 0.36 1.11 3.08 -1.22 -1.10 114.38 117.90 1rrj h ARG 275 Ca 0.08 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 1rrj h ARG 275 Cb -0.03 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1rrj h ARG 275 CO -0.02 1.08 -0.17 -0.22 -1.07 0.00 0.00 179.97 179.57 1rrj h LYS 276 N 0.88 -0.47 -0.53 0.04 3.64 -1.00 -1.77 116.57 117.37 1rrj h LYS 276 Ca 0.13 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1rrj h LYS 276 Cb 0.73 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 1rrj h LYS 276 CO 0.06 -0.23 0.27 -0.91 -2.27 0.00 0.00 179.45 176.37 1rrj h ASN 277 N -0.64 0.68 0.52 4.20 -0.26 -1.31 -2.50 115.58 116.26 1rrj h ASN 277 Ca -0.05 -0.11 -0.02 0.00 -0.56 0.00 0.00 56.30 55.55 1rrj h ASN 277 Cb 0.46 -0.17 0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1rrj h ASN 277 CO 0.08 0.60 -0.26 0.15 -1.06 0.00 0.00 177.43 176.93 1rrj h PHE 278 N 0.71 -0.68 -0.98 1.19 3.57 -1.14 -2.47 116.94 117.13 1rrj h PHE 278 Ca 0.18 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.74 1rrj h PHE 278 Cb 0.09 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 1rrj h PHE 278 CO -0.01 -0.42 0.64 0.35 -2.23 0.00 0.00 178.31 176.64 1rrj h PHE 279 N -0.72 1.17 -0.66 0.41 3.57 -1.31 0.12 116.94 119.53 1rrj h PHE 279 Ca -0.07 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1rrj h PHE 279 Cb 0.56 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1rrj h PHE 279 CO -0.05 0.60 0.37 -0.22 -2.23 0.00 0.00 178.31 176.78 1rrj h LYS 280 N 1.14 0.91 -0.01 1.11 3.64 -1.39 -1.79 116.57 120.18 1rrj h LYS 280 Ca 0.43 -0.10 -0.17 0.00 -1.27 0.00 0.00 60.65 59.53 1rrj h LYS 280 Cb 0.18 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1rrj h LYS 280 CO -0.17 0.68 -0.78 -0.44 -2.27 0.00 0.00 179.45 176.46 1rrj h ASP 281 N 0.90 0.12 -0.03 4.20 3.45 -0.87 -3.16 116.42 121.03 1rrj h ASP 281 Ca 0.23 -0.09 -0.13 0.00 0.43 0.00 0.00 57.03 57.48 1rrj h ASP 281 Cb 0.02 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1rrj h ASP 281 CO -0.04 0.85 -0.38 -0.25 -1.57 0.00 0.00 179.24 177.85 1rrj h TRP 282 N 0.06 0.63 -0.97 4.55 7.01 -0.58 -3.11 115.95 123.54 1rrj h TRP 282 Ca -0.02 -0.17 0.03 0.00 2.11 0.00 0.00 58.89 60.84 1rrj h TRP 282 Cb 1.37 -0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 28.24 1rrj h TRP 282 CO 0.01 0.84 0.63 0.00 -2.79 0.00 0.00 178.44 177.14 1rrj h ARG 283 N 0.45 1.20 0.00 2.65 2.47 -1.29 -1.92 114.38 117.94 1rrj h ARG 283 Ca 0.04 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 1rrj h ARG 283 Cb 0.86 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1rrj h ARG 283 CO 0.07 0.80 -0.17 0.87 0.56 0.00 0.00 179.97 182.10 1rrj h LYS 284 N 1.24 0.00 0.00 0.04 1.57 -1.57 -2.84 116.57 115.01 1rrj h LYS 284 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1rrj h LYS 284 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1rrj h LYS 284 CO -0.12 0.17 -0.62 0.39 -0.57 0.00 0.00 179.45 178.71 1rrj n GLU 285 N -3.78 0.24 -2.36 3.15 4.71 -0.75 -4.93 120.64 116.92 1rrj n GLU 285 Ca -0.02 0.07 -0.32 0.00 -0.01 0.00 0.00 57.16 56.88 1rrj n GLU 285 Cb 0.28 -1.65 -0.03 0.00 -1.01 0.00 0.00 31.44 29.03 1rrj n GLU 285 CO 0.00 0.00 0.00 -1.64 0.09 0.00 0.00 177.13 175.58 1rrj s MET 286 N -3.14 3.91 0.83 3.49 -1.94 -1.06 -3.86 119.30 117.52 1rrj s MET 286 Ca 0.07 0.92 -0.12 0.00 -1.71 0.00 0.00 55.69 54.85 1rrj s MET 286 Cb 0.14 -2.14 0.10 0.00 2.01 0.00 0.00 34.83 34.94 1rrj s MET 286 CO 0.72 -0.29 1.19 0.95 -0.01 0.00 0.00 175.02 177.58 1rrj s THR 287 N -2.67 2.03 0.35 2.05 -4.23 -1.26 -4.85 115.64 107.06 1rrj s THR 287 Ca 0.58 -0.03 0.11 0.00 -1.18 0.00 0.00 61.69 61.16 1rrj s THR 287 Cb -0.10 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.83 1rrj s THR 287 CO 0.33 0.00 1.80 0.78 -0.54 0.00 0.00 174.62 177.00 1rrj h ASN 288 N -1.12 0.10 0.19 3.99 4.21 -1.98 -0.70 115.58 120.27 1rrj h ASN 288 Ca -0.45 -0.03 -0.14 0.00 1.21 0.00 0.00 56.30 56.88 1rrj h ASN 288 Cb 1.31 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 38.47 1rrj h ASN 288 CO 0.60 0.45 -0.52 -0.33 -1.29 0.00 0.00 177.43 176.34 1rrj h GLU 289 N 0.08 0.36 0.04 0.81 3.07 -2.01 -2.83 114.58 114.10 1rrj h GLU 289 Ca 0.01 -0.21 -0.22 0.00 -0.50 0.00 0.00 59.36 58.43 1rrj h GLU 289 Cb 0.67 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 1rrj h GLU 289 CO 0.05 0.79 -1.04 0.93 -1.40 0.00 0.00 179.01 178.34 1rrj h GLU 290 N 0.28 0.10 0.00 2.33 5.08 -1.84 -3.29 114.58 117.24 1rrj h GLU 290 Ca 0.01 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 1rrj h GLU 290 Cb 1.00 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1rrj h GLU 290 CO 0.09 1.04 -0.39 0.87 -1.00 0.00 0.00 179.01 179.62 1rrj h LYS 291 N 0.04 0.00 0.00 2.33 1.57 -0.98 -1.83 116.57 117.70 1rrj h LYS 291 Ca -0.05 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1rrj h LYS 291 Cb 1.76 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.06 1rrj h LYS 291 CO 0.15 0.39 -0.33 -0.91 -0.57 0.00 0.00 179.45 178.18 1rrj h ASN 292 N 0.00 0.00 0.00 0.86 2.35 -1.57 -3.37 115.58 113.85 1rrj h ASN 292 Ca -0.00 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 1rrj h ASN 292 Cb 0.77 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.12 1rrj h ASN 292 CO 0.05 0.33 -0.95 -0.38 -1.65 0.00 0.00 177.43 174.83 1rrj n ILE 293 N -3.27 1.47 -2.50 2.81 5.41 -1.14 -4.76 119.36 117.38 1rrj n ILE 293 Ca 0.02 0.09 -0.40 0.00 1.00 0.00 0.00 62.75 63.46 1rrj n ILE 293 Cb 0.60 -2.25 -0.03 0.00 -0.71 0.00 0.00 39.64 37.25 1rrj n ILE 293 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 1rrj s ILE 294 N -2.39 3.90 -0.00 1.39 1.01 -0.70 -4.77 121.20 119.63 1rrj s ILE 294 Ca -0.22 -0.91 0.11 0.00 0.00 0.00 0.00 60.65 59.62 1rrj s ILE 294 Cb 0.04 -4.97 -0.17 0.00 0.01 0.00 0.00 42.46 37.38 1rrj s ILE 294 CO 0.37 -1.83 1.05 0.71 0.00 0.00 0.00 174.94 175.23 1rrj h THR 295 N 6.63 1.15 -3.88 2.92 1.35 -1.86 -3.45 112.91 115.77 1rrj h THR 295 Ca 0.23 -2.83 -0.09 0.00 -0.55 0.00 0.00 66.41 63.17 1rrj h THR 295 Cb 0.99 2.54 -0.14 0.00 -1.73 0.00 0.00 68.15 69.81 1rrj h THR 295 CO 1.41 0.66 -0.41 0.54 -0.25 0.00 0.00 175.52 177.47 1rrj s ASN 296 N -6.35 0.16 0.12 5.36 2.20 -1.26 -5.07 114.94 110.10 1rrj s ASN 296 Ca -0.01 -0.73 -0.04 0.00 -0.94 0.00 0.00 52.86 51.14 1rrj s ASN 296 Cb 0.09 0.33 -0.13 0.00 -2.00 0.00 0.00 41.25 39.54 1rrj s ASN 296 CO 0.81 -0.73 1.27 0.25 -2.94 0.00 0.00 177.10 175.76 1rrj h LEU 297 N 2.78 0.49 -2.33 3.54 5.85 -1.95 -3.35 115.31 120.33 1rrj h LEU 297 Ca -0.34 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 57.96 1rrj h LEU 297 Cb 1.19 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.07 1rrj h LEU 297 CO 0.57 1.24 -0.01 0.28 -0.34 0.00 0.00 178.44 180.18 1rrj h SER 298 N 0.19 0.00 0.13 1.25 0.02 -2.00 -1.89 113.55 111.25 1rrj h SER 298 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1rrj h SER 298 Cb 1.66 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.20 1rrj h SER 298 CO 0.17 0.01 -0.14 1.17 -1.14 0.00 0.00 176.83 176.91 1rrj n LYS 299 N -3.15 1.21 -3.21 3.45 3.00 -1.26 -4.90 118.16 113.30 1rrj n LYS 299 Ca -0.02 -0.70 -0.34 0.00 -0.00 0.00 0.00 58.31 57.26 1rrj n LYS 299 Cb 0.17 -1.49 -0.06 0.00 0.00 0.00 0.00 35.03 33.66 1rrj n LYS 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rrj s ASP 301 N -1.95 3.62 0.00 0.00 2.15 0.09 -4.98 116.67 115.61 1rrj s ASP 301 Ca 0.46 -1.04 0.18 0.00 0.43 0.00 0.00 52.55 52.58 1rrj s ASP 301 Cb -0.14 -1.17 0.39 0.00 -0.30 0.00 0.00 42.92 41.70 1rrj s ASP 301 CO 0.19 -0.20 1.31 0.49 -0.17 0.00 0.00 175.17 176.80 1rrj n PHE 302 N 4.69 0.51 -0.25 -5.34 3.72 -1.26 -3.13 117.46 116.40 1rrj n PHE 302 Ca -0.13 -0.32 0.03 0.00 -0.05 0.00 0.00 57.45 56.98 1rrj n PHE 302 Cb 0.45 -0.01 0.16 0.00 -0.94 0.00 0.00 39.48 39.14 1rrj n PHE 302 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1rrj h THR 303 N 3.52 0.79 -0.22 4.37 1.35 -1.93 -0.35 112.91 120.44 1rrj h THR 303 Ca 0.00 -0.19 -0.13 0.00 -0.55 0.00 0.00 66.41 65.54 1rrj h THR 303 Cb 0.85 0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 1rrj h THR 303 CO 0.00 0.10 -0.40 1.56 -0.25 0.00 0.00 175.52 176.54 1rrj h GLN 304 N 0.56 0.51 -0.49 4.72 4.20 -1.85 -2.02 115.11 120.74 1rrj h GLN 304 Ca 0.38 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.73 1rrj h GLN 304 Cb 0.46 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1rrj h GLN 304 CO -0.31 0.83 -0.11 0.52 -0.67 0.00 0.00 178.83 179.08 1rrj h MET 305 N 0.42 0.91 -0.48 1.46 2.86 -1.60 -2.20 114.93 116.32 1rrj h MET 305 Ca 0.04 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.25 1rrj h MET 305 Cb 0.88 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.46 1rrj h MET 305 CO 0.07 0.98 -0.10 1.03 1.06 0.00 0.00 176.91 179.95 1rrj h SER 306 N 0.82 0.91 -0.30 1.22 0.87 -0.90 -2.96 113.55 113.21 1rrj h SER 306 Ca 0.13 -0.35 -0.09 0.00 -1.23 0.00 0.00 61.79 60.25 1rrj h SER 306 Cb 0.64 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1rrj h SER 306 CO 0.04 1.05 -0.12 1.56 -0.53 0.00 0.00 176.83 178.84 1rrj h GLN 307 N 0.75 0.73 -0.06 2.24 4.20 -1.24 -2.94 115.11 118.80 1rrj h GLN 307 Ca 0.12 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1rrj h GLN 307 Cb 0.64 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1rrj h GLN 307 CO 0.04 0.82 0.03 -0.92 -0.67 0.00 0.00 178.83 178.13 1rrj h TYR 308 N 0.66 0.09 0.00 2.96 5.03 -1.34 -1.37 116.97 123.00 1rrj h TYR 308 Ca 0.11 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.39 1rrj h TYR 308 Cb 0.58 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.83 1rrj h TYR 308 CO 0.03 0.20 -0.14 0.74 -1.32 0.00 0.00 178.16 177.66 1rrj h PHE 309 N -0.04 0.00 0.01 -3.82 0.04 -1.47 -0.69 116.94 110.97 1rrj h PHE 309 Ca 0.02 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.58 1rrj h PHE 309 Cb 0.14 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1rrj h PHE 309 CO -0.03 0.14 -0.93 0.87 -0.60 0.00 0.00 178.31 177.76 1rrj h LYS 310 N 0.00 0.27 -0.09 1.51 1.57 -1.32 -2.46 116.57 116.06 1rrj h LYS 310 Ca -0.00 -0.31 -0.14 0.00 -1.87 0.00 0.00 60.65 58.33 1rrj h LYS 310 Cb 0.32 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1rrj h LYS 310 CO 0.02 1.03 -0.56 0.00 -0.57 0.00 0.00 179.45 179.37 1rrj h ALA 311 N 0.85 0.89 -0.20 3.86 0.00 -0.33 -2.51 119.26 121.82 1rrj h ALA 311 Ca -0.06 -0.51 -0.18 0.00 0.00 0.00 0.00 54.91 54.15 1rrj h ALA 311 Cb 1.58 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1rrj h ALA 311 CO 0.15 0.70 -0.59 1.96 0.00 0.00 0.00 179.25 181.47 1rrj h GLN 312 N 0.20 0.66 -0.19 0.00 1.08 -1.10 -0.17 115.11 115.60 1rrj h GLN 312 Ca 0.00 -0.44 -0.08 0.00 -1.45 0.00 0.00 58.65 56.68 1rrj h GLN 312 Cb 1.05 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 1rrj h GLN 312 CO 0.09 1.06 -0.23 1.15 -0.95 0.00 0.00 178.83 179.95 1rrj h THR 313 N 0.50 1.24 0.07 -0.54 2.02 -1.34 -0.41 112.91 114.45 1rrj h THR 313 Ca -0.00 -1.14 -0.25 0.00 0.77 0.00 0.00 66.41 65.79 1rrj h THR 313 Cb 1.17 1.36 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1rrj h THR 313 CO 0.12 0.35 -1.10 -0.33 0.37 0.00 0.00 175.52 174.93 1rrj h GLU 314 N 0.30 0.30 0.00 6.66 4.39 -1.29 -3.12 114.58 121.82 1rrj h GLU 314 Ca 0.05 -0.42 -0.02 0.00 0.34 0.00 0.00 59.36 59.31 1rrj h GLU 314 Cb 0.58 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1rrj h GLU 314 CO 0.04 1.15 -0.10 0.00 -1.16 0.00 0.00 179.01 178.94 1rrj h ALA 315 N 0.68 0.98 0.02 3.43 0.00 -0.61 -3.10 119.26 120.67 1rrj h ALA 315 Ca -0.10 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.48 1rrj h ALA 315 Cb 1.80 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1rrj h ALA 315 CO 0.18 0.13 -1.12 0.00 0.00 0.00 0.00 179.25 178.45 1rrj h ARG 316 N 0.00 0.05 -0.08 0.00 3.08 -1.09 -3.23 114.38 113.12 1rrj h ARG 316 Ca -0.00 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1rrj h ARG 316 Cb 0.77 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.86 1rrj h ARG 316 CO 0.01 1.00 0.00 0.36 -1.07 0.00 0.00 179.97 180.27 1rrj n LYS 317 N -3.36 1.41 -0.24 0.04 2.85 -1.17 -3.12 118.16 114.56 1rrj n LYS 317 Ca -0.03 -0.61 0.09 0.00 -1.05 0.00 0.00 58.31 56.71 1rrj n LYS 317 Cb 0.97 -1.37 0.19 0.00 -0.65 0.00 0.00 35.03 34.16 1rrj n LYS 317 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1rrj n GLN 318 N -0.19 1.87 -1.82 -1.58 1.13 -1.21 -5.05 117.38 110.54 1rrj n GLN 318 Ca 0.16 -2.72 -0.32 0.00 -1.94 0.00 0.00 57.00 52.18 1rrj n GLN 318 Cb 0.22 -1.63 0.03 0.00 0.11 0.00 0.00 30.24 28.97 1rrj n GLN 318 CO 0.00 0.00 0.00 -1.64 -1.44 0.00 0.00 177.06 173.98 1rrj s MET 319 N -2.89 3.02 0.78 -1.09 -1.94 -1.18 -5.05 119.30 110.94 1rrj s MET 319 Ca 0.36 1.21 -0.12 0.00 -1.71 0.00 0.00 55.69 55.43 1rrj s MET 319 Cb 0.31 -1.99 0.06 0.00 2.01 0.00 0.00 34.83 35.22 1rrj s MET 319 CO 0.05 -1.05 1.12 -1.54 -0.01 0.00 0.00 175.02 173.59 1rrj s SER 320 N -2.95 4.75 0.52 3.03 1.04 -1.26 -4.87 113.70 113.96 1rrj s SER 320 Ca 0.63 1.05 0.31 0.00 0.48 0.00 0.00 55.95 58.43 1rrj s SER 320 Cb -0.17 -1.72 1.24 0.00 0.10 0.00 0.00 66.02 65.47 1rrj s SER 320 CO 0.43 -1.78 1.94 0.11 0.98 0.00 0.00 173.24 174.92 1rrj h LYS 321 N -0.96 0.00 0.11 4.02 1.57 -1.99 -1.13 116.57 118.19 1rrj h LYS 321 Ca -0.46 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.04 1rrj h LYS 321 Cb 1.29 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.61 1rrj h LYS 321 CO 0.63 0.05 -1.19 0.93 -0.57 0.00 0.00 179.45 179.30 1rrj h GLU 322 N 0.00 0.45 0.05 3.15 3.07 -1.99 -2.87 114.58 116.43 1rrj h GLU 322 Ca -0.00 -0.63 -0.24 0.00 -0.50 0.00 0.00 59.36 57.99 1rrj h GLU 322 Cb 0.57 0.21 0.02 0.00 -0.84 0.00 0.00 28.75 28.72 1rrj h GLU 322 CO 0.01 1.27 -0.96 0.93 -1.40 0.00 0.00 179.01 178.85 1rrj h GLU 323 N 0.19 0.57 -0.33 2.33 4.39 -1.88 -3.05 114.58 116.79 1rrj h GLU 323 Ca -0.15 -0.68 -0.03 0.00 0.34 0.00 0.00 59.36 58.84 1rrj h GLU 323 Cb 1.87 0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 30.72 1rrj h GLU 323 CO 0.21 1.28 0.07 0.87 -1.16 0.00 0.00 179.01 180.28 1rrj h LYS 324 N 0.16 0.54 -0.02 2.33 1.79 -1.32 -2.83 116.57 117.22 1rrj h LYS 324 Ca -0.13 -0.13 -0.11 0.00 -2.18 0.00 0.00 60.65 58.09 1rrj h LYS 324 Cb 1.65 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.22 1rrj h LYS 324 CO 0.19 0.61 -0.52 1.25 -1.08 0.00 0.00 179.45 179.89 1rrj h LEU 325 N 0.38 0.07 -0.12 2.94 5.85 -1.64 -2.89 115.31 119.90 1rrj h LEU 325 Ca 0.10 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1rrj h LEU 325 Cb 0.31 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 1rrj h LEU 325 CO 0.00 0.58 0.01 0.50 -0.34 0.00 0.00 178.44 179.19 1rrj h LYS 326 N 0.05 0.20 -0.08 1.25 3.64 -1.44 -1.48 116.57 118.71 1rrj h LYS 326 Ca -0.00 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.26 1rrj h LYS 326 Cb 0.94 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.73 1rrj h LYS 326 CO 0.07 0.42 -0.23 0.82 -2.27 0.00 0.00 179.45 178.26 1rrj h ILE 327 N -0.05 1.21 -0.06 2.00 2.04 -1.51 -1.18 117.51 119.95 1rrj h ILE 327 Ca 0.03 -0.96 -0.14 0.00 1.00 0.00 0.00 64.86 64.79 1rrj h ILE 327 Cb 0.33 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1rrj h ILE 327 CO 0.00 0.29 -0.58 0.50 0.00 0.00 0.00 178.15 178.36 1rrj h LYS 328 N 0.12 0.20 0.00 2.37 3.64 -1.33 -2.05 116.57 119.52 1rrj h LYS 328 Ca 0.02 -0.13 -0.18 0.00 -1.27 0.00 0.00 60.65 59.08 1rrj h LYS 328 Cb 0.49 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 1rrj h LYS 328 CO 0.03 0.72 -0.87 0.93 -2.27 0.00 0.00 179.45 178.00 1rrj h GLU 329 N 0.15 0.00 -0.01 1.90 5.08 -0.50 -2.27 114.58 118.93 1rrj h GLU 329 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 1rrj h GLU 329 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1rrj h GLU 329 CO 0.09 0.87 -0.69 0.93 -1.00 0.00 0.00 179.01 179.21 1rrj h GLU 330 N 0.00 0.07 -0.06 2.33 4.39 -1.12 -2.58 114.58 117.61 1rrj h GLU 330 Ca -0.01 -0.06 -0.24 0.00 0.34 0.00 0.00 59.36 59.40 1rrj h GLU 330 Cb 1.62 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 30.29 1rrj h GLU 330 CO 0.11 0.73 -0.90 -0.91 -1.16 0.00 0.00 179.01 176.88 1rrj h ASN 331 N 0.05 0.80 -0.22 1.42 -0.26 -1.34 -3.08 115.58 112.96 1rrj h ASN 331 Ca -0.01 -0.59 -0.15 0.00 -0.56 0.00 0.00 56.30 54.99 1rrj h ASN 331 Cb 1.22 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 38.23 1rrj h ASN 331 CO 0.09 1.38 -0.40 -0.33 -1.06 0.00 0.00 177.43 177.12 1rrj h GLU 332 N 0.40 0.76 0.00 0.81 5.08 -1.37 -2.69 114.58 117.57 1rrj h GLU 332 Ca -0.08 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1rrj h GLU 332 Cb 1.53 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.79 1rrj h GLU 332 CO 0.17 1.02 0.00 1.57 -1.00 0.00 0.00 179.01 180.77 1rrj h LYS 333 N 0.62 0.00 0.04 2.33 2.10 -1.53 -2.33 116.57 117.79 1rrj h LYS 333 Ca 0.05 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.47 1rrj h LYS 333 Cb 0.95 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.26 1rrj h LYS 333 CO 0.09 0.00 -1.06 1.25 -2.00 0.00 0.00 179.45 177.73 1rrj h LEU 334 N 0.00 0.12 -0.53 7.07 5.85 -1.43 -3.04 115.31 123.35 1rrj h LEU 334 Ca 0.00 -0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.43 1rrj h LEU 334 Cb 0.67 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1rrj h LEU 334 CO 0.00 1.09 -0.73 0.25 -0.34 0.00 0.00 178.44 178.72 1rrj h LEU 335 N 0.02 0.11 -0.14 2.25 7.12 -1.11 -1.55 115.31 122.01 1rrj h LEU 335 Ca -0.04 -0.08 -0.23 0.00 0.13 0.00 0.00 57.88 57.65 1rrj h LEU 335 Cb 1.81 -0.03 0.01 0.00 -0.53 0.00 0.00 40.66 41.92 1rrj h LEU 335 CO 0.15 0.80 -0.88 0.11 -0.13 0.00 0.00 178.44 178.48 1rrj h LYS 336 N 0.06 0.66 0.15 1.25 1.79 -1.46 -2.09 116.57 116.93 1rrj h LYS 336 Ca -0.02 -0.61 -0.32 0.00 -2.18 0.00 0.00 60.65 57.53 1rrj h LYS 336 Cb 1.28 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.09 1rrj h LYS 336 CO 0.10 1.22 -1.54 0.93 -1.08 0.00 0.00 179.45 179.09 1rrj h GLU 337 N 0.41 0.32 0.00 3.15 3.07 -1.56 -3.42 114.58 116.55 1rrj h GLU 337 Ca -0.08 -0.54 0.00 0.00 -0.50 0.00 0.00 59.36 58.24 1rrj h GLU 337 Cb 1.51 0.20 0.00 0.00 -0.84 0.00 0.00 28.75 29.63 1rrj h GLU 337 CO 0.17 1.21 -0.45 0.66 -1.40 0.00 0.00 179.01 179.20 1rrj n TYR 338 N -3.52 0.00 1.84 4.33 4.01 -0.58 -4.69 117.16 118.54 1rrj n TYR 338 Ca -0.17 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.70 1rrj n TYR 338 Cb 1.06 -0.02 0.70 0.00 -0.31 0.00 0.00 39.34 40.76 1rrj n TYR 338 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rrj n GLY 339 N 1.40 -0.71 3.11 2.72 0.00 -0.79 -4.84 105.19 106.08 1rrj n GLY 339 Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 1rrj n GLY 339 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rrj s PHE 340 N -1.98 1.19 0.30 1.61 0.40 -1.26 -0.67 117.98 117.58 1rrj s PHE 340 Ca 0.38 -0.28 0.06 0.00 -0.60 0.00 0.00 56.93 56.50 1rrj s PHE 340 Cb 0.18 -0.74 -0.06 0.00 0.51 0.00 0.00 43.02 42.91 1rrj s PHE 340 CO 0.30 0.00 -0.04 0.00 0.70 0.00 0.00 175.22 176.19 1rrj s ILE 342 N -3.00 3.31 -0.10 0.00 -1.09 0.57 -1.15 121.20 119.74 1rrj s ILE 342 Ca 0.31 -0.56 -0.01 0.00 -2.23 0.00 0.00 60.65 58.17 1rrj s ILE 342 Cb 0.05 -2.53 0.03 0.00 -1.58 0.00 0.00 42.46 38.43 1rrj s ILE 342 CO 0.13 0.39 -0.05 -0.32 -1.23 0.00 0.00 174.94 173.86 1rrj s MET 343 N 1.46 1.26 -0.05 2.79 1.75 -0.26 -1.41 119.30 124.84 1rrj s MET 343 Ca 0.05 -0.15 -0.05 0.00 -1.25 0.00 0.00 55.69 54.29 1rrj s MET 343 Cb -0.15 -1.41 0.01 0.00 2.84 0.00 0.00 34.83 36.13 1rrj s MET 343 CO -0.03 -0.27 0.08 -0.25 -0.65 0.00 0.00 175.02 173.89 1rrj n ASP 344 N 4.99 -4.76 0.00 1.11 8.00 -1.13 -2.67 116.55 122.08 1rrj n ASP 344 Ca -0.11 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.62 1rrj n ASP 344 Cb 0.50 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1rrj n ASP 344 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rrj n ASN 345 N 1.15 -1.54 -3.92 -2.24 4.13 -1.26 -4.93 115.26 106.65 1rrj n ASN 345 Ca -0.01 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 56.15 1rrj n ASN 345 Cb 0.40 -2.35 -0.10 0.00 -1.54 0.00 0.00 39.78 36.19 1rrj n ASN 345 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1rrj s HIS 346 N -1.40 0.15 -0.30 3.10 3.76 -1.09 -5.13 115.29 114.38 1rrj s HIS 346 Ca 0.00 -0.37 -0.14 0.00 -0.15 0.00 0.00 55.06 54.40 1rrj s HIS 346 Cb 0.00 -0.12 -0.03 0.00 1.11 0.00 0.00 32.58 33.55 1rrj s HIS 346 CO 0.00 -0.30 0.34 0.21 -0.85 0.00 0.00 174.74 174.14 1rrj s LYS 347 N -1.94 3.80 0.06 1.40 2.20 -1.26 -1.10 119.74 122.90 1rrj s LYS 347 Ca -0.11 -0.22 0.08 0.00 -0.36 0.00 0.00 55.97 55.36 1rrj s LYS 347 Cb -0.05 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.52 1rrj s LYS 347 CO -0.02 -0.38 -0.21 -1.21 -0.36 0.00 0.00 175.35 173.17 1rrj s GLU 348 N 2.00 1.36 0.40 4.03 0.41 -0.30 -4.98 118.70 121.62 1rrj s GLU 348 Ca 0.12 -1.00 -0.24 0.00 -0.41 0.00 0.00 54.97 53.45 1rrj s GLU 348 Cb -0.16 -1.51 -0.09 0.00 -1.78 0.00 0.00 34.13 30.59 1rrj s GLU 348 CO 0.11 0.38 1.05 0.50 -0.49 0.00 0.00 175.26 176.81 1rrj s ARG 349 N -1.33 4.16 -0.13 1.61 3.52 -1.26 -1.06 118.95 124.46 1rrj s ARG 349 Ca 0.08 1.53 -0.11 0.00 -0.13 0.00 0.00 55.73 57.09 1rrj s ARG 349 Cb -0.09 -2.55 -0.05 0.00 -1.56 0.00 0.00 34.95 30.70 1rrj s ARG 349 CO 0.02 -0.15 0.22 0.42 -0.81 0.00 0.00 175.30 175.01 1rrj s ILE 350 N -1.64 5.35 0.01 4.11 1.01 0.15 -1.36 121.20 128.83 1rrj s ILE 350 Ca 0.58 0.40 -0.05 0.00 0.00 0.00 0.00 60.65 61.57 1rrj s ILE 350 Cb -0.22 -3.53 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1rrj s ILE 350 CO 0.28 0.50 0.94 0.00 0.00 0.00 0.00 174.94 176.66 1rrj h ALA 351 N 5.87 -0.91 -2.18 9.38 0.00 -1.70 -3.40 119.26 126.32 1rrj h ALA 351 Ca -0.47 -0.04 -0.59 0.00 0.00 0.00 0.00 54.91 53.81 1rrj h ALA 351 Cb 1.19 0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.64 1rrj h ALA 351 CO 0.68 -0.90 -0.68 0.09 0.00 0.00 0.00 179.25 178.45 1rrj n ASN 352 N -2.58 3.15 0.28 0.00 3.02 -1.26 -4.90 115.26 112.98 1rrj n ASN 352 Ca -0.02 -3.32 0.17 0.00 -0.03 0.00 0.00 54.58 51.38 1rrj n ASN 352 Cb 0.08 -0.67 0.77 0.00 -0.61 0.00 0.00 39.78 39.35 1rrj n ASN 352 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 1rrj h PHE 353 N 4.18 0.00 -3.50 3.10 -5.15 -1.91 -3.41 116.94 110.25 1rrj h PHE 353 Ca 0.18 0.00 -0.61 0.00 -0.20 0.00 0.00 57.97 57.33 1rrj h PHE 353 Cb 0.70 0.00 -0.12 0.00 0.22 0.00 0.00 35.95 36.75 1rrj h PHE 353 CO 0.66 0.03 0.26 0.15 -2.00 0.00 0.00 178.31 177.41 1rrj s LYS 354 N -3.80 3.90 0.13 6.09 1.02 -1.26 -1.32 119.74 124.50 1rrj s LYS 354 Ca -0.00 0.39 -0.30 0.00 0.02 0.00 0.00 55.97 56.07 1rrj s LYS 354 Cb 0.10 -3.74 -0.07 0.00 -0.52 0.00 0.00 37.83 33.60 1rrj s LYS 354 CO 0.53 -0.64 1.14 0.42 -0.92 0.00 0.00 175.35 175.88 1rrj s ILE 355 N 2.78 3.93 0.21 2.17 1.01 -0.76 -4.97 121.20 125.57 1rrj s ILE 355 Ca 0.28 1.54 -0.32 0.00 0.00 0.00 0.00 60.65 62.15 1rrj s ILE 355 Cb -0.14 -3.98 -0.14 0.00 0.01 0.00 0.00 42.46 38.20 1rrj s ILE 355 CO 0.13 0.21 1.43 1.21 0.00 0.00 0.00 174.94 177.92 1rrj n GLU 356 N 2.97 2.00 -1.18 2.79 4.07 -1.26 -4.18 120.64 125.85 1rrj n GLU 356 Ca 0.05 0.71 -0.31 0.00 -0.06 0.00 0.00 57.16 57.55 1rrj n GLU 356 Cb 0.46 -2.39 0.10 0.00 -0.06 0.00 0.00 31.44 29.56 1rrj n GLU 356 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1rrj s PRO 357 N -0.08 2.07 0.84 5.31 0.04 -1.26 -4.79 135.00 137.13 1rrj s PRO 357 Ca 0.71 1.23 -0.11 0.00 0.04 0.00 0.00 61.00 62.88 1rrj s PRO 357 Cb -0.67 -1.87 0.10 0.00 0.04 0.00 0.00 34.50 32.10 1rrj s PRO 357 CO 0.47 -1.79 1.14 -1.25 0.04 0.00 0.00 177.00 175.61 1rrj s PRO 358 N -4.85 1.59 0.00 0.56 0.04 -1.26 -4.99 135.00 126.09 1rrj s PRO 358 Ca 0.62 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.13 1rrj s PRO 358 Cb -0.18 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1rrj s PRO 358 CO 0.56 -2.20 0.00 0.41 0.04 0.00 0.00 177.00 175.81 1rrj n GLY 359 N -0.19 -1.09 3.80 0.56 0.00 -0.91 -5.01 105.19 102.33 1rrj n GLY 359 Ca 0.11 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1rrj n GLY 359 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rrj s LEU 360 N 0.00 4.25 0.25 0.99 1.43 -1.26 0.03 118.68 124.36 1rrj s LEU 360 Ca 0.00 0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.14 1rrj s LEU 360 Cb 0.00 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 1rrj s LEU 360 CO 0.00 0.30 1.02 0.12 0.23 0.00 0.00 176.35 178.03 1rrj s PHE 361 N -0.39 3.77 0.00 0.29 2.19 0.40 -4.92 117.98 119.32 1rrj s PHE 361 Ca 0.11 1.80 0.00 0.00 0.33 0.00 0.00 56.93 59.17 1rrj s PHE 361 Cb -0.12 -3.14 0.00 0.00 -1.31 0.00 0.00 43.02 38.46 1rrj s PHE 361 CO 0.01 -0.07 0.00 -2.13 1.83 0.00 0.00 175.22 174.86 1rrj n ARG 362 N 1.43 0.00 0.00 10.12 0.00 -1.26 -0.46 116.66 126.49 1rrj n ARG 362 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1rrj n ARG 362 Cb 0.46 -0.40 0.00 0.00 0.00 0.00 0.00 32.46 32.52 1rrj n ARG 362 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rrj n GLY 363 N 2.49 -0.97 3.33 5.14 0.00 -1.26 -4.56 105.19 109.36 1rrj n GLY 363 Ca 0.00 -1.18 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1rrj n GLY 363 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rrj s ARG 364 N 0.00 2.05 3.08 1.61 0.52 -1.26 -5.03 118.95 119.91 1rrj s ARG 364 Ca 0.00 -0.97 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 1rrj s ARG 364 Cb 0.00 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.42 1rrj s ARG 364 CO 0.00 0.55 0.00 0.41 0.02 0.00 0.00 175.30 176.28 1rrj n GLY 365 N 2.22 -0.10 3.40 -3.53 0.00 -1.26 -4.26 105.19 101.66 1rrj n GLY 365 Ca -0.16 -0.99 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 1rrj n GLY 365 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rrj n ASN 366 N -0.60 5.30 -4.73 1.61 4.05 -1.26 -5.01 115.26 114.62 1rrj n ASN 366 Ca 0.00 -3.00 -0.39 0.00 0.45 0.00 0.00 54.58 51.64 1rrj n ASN 366 Cb 0.00 -1.52 -0.05 0.00 1.23 0.00 0.00 39.78 39.43 1rrj n ASN 366 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 177.26 171.93 1rrj s HIS 367 N 0.87 3.60 -0.05 1.20 2.46 -1.26 -4.42 115.29 117.70 1rrj s HIS 367 Ca 0.40 1.18 0.31 0.00 0.47 0.00 0.00 55.06 57.43 1rrj s HIS 367 Cb -0.03 -2.71 1.34 0.00 -0.13 0.00 0.00 32.58 31.04 1rrj s HIS 367 CO -0.01 0.18 1.92 -1.35 -2.47 0.00 0.00 174.74 173.01 1rrj h PRO 368 N 6.40 0.00 -0.62 2.88 0.11 -1.86 -3.03 132.00 135.88 1rrj h PRO 368 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1rrj h PRO 368 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1rrj h PRO 368 CO 0.74 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.16 1rrj n LYS 369 N -2.78 3.07 -1.88 1.05 5.02 -1.26 -4.99 118.16 116.39 1rrj n LYS 369 Ca 0.01 -2.62 -0.41 0.00 -2.02 0.00 0.00 58.31 53.26 1rrj n LYS 369 Cb 0.25 -1.62 -0.01 0.00 -0.02 0.00 0.00 35.03 33.63 1rrj n LYS 369 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rrj s MET 370 N -1.33 4.18 0.00 1.97 0.23 -1.15 -2.32 119.30 120.88 1rrj s MET 370 Ca 0.44 2.47 0.00 0.00 -1.03 0.00 0.00 55.69 57.58 1rrj s MET 370 Cb 0.25 -3.02 0.00 0.00 -1.53 0.00 0.00 34.83 30.54 1rrj s MET 370 CO 0.26 -0.48 0.00 0.41 -2.03 0.00 0.00 175.02 173.18 1rrj n GLY 371 N 1.15 2.74 3.75 3.16 0.00 0.39 -3.78 105.19 112.60 1rrj n GLY 371 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1rrj n GLY 371 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rrj s MET 372 N -0.32 2.97 -0.01 1.61 1.00 -0.98 -3.13 119.30 120.44 1rrj s MET 372 Ca 0.00 2.11 -0.28 0.00 0.00 0.00 0.00 55.69 57.52 1rrj s MET 372 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 34.83 32.70 1rrj s MET 372 CO 0.00 -1.29 0.91 -1.17 0.00 0.00 0.00 175.02 173.47 1rrj s LEU 373 N -3.82 4.36 -0.48 -0.03 2.96 -1.26 -0.45 118.68 119.95 1rrj s LEU 373 Ca 0.75 1.55 -0.17 0.00 -0.22 0.00 0.00 54.13 56.04 1rrj s LEU 373 Cb -0.38 -3.45 0.07 0.00 0.50 0.00 0.00 46.19 42.93 1rrj s LEU 373 CO 0.43 -0.21 0.47 -0.54 -1.32 0.00 0.00 176.35 175.17 1rrj s LYS 374 N 0.91 3.03 0.69 1.98 1.02 0.10 -4.80 119.74 122.67 1rrj s LYS 374 Ca 0.48 -1.18 -0.13 0.00 0.02 0.00 0.00 55.97 55.17 1rrj s LYS 374 Cb -0.20 -4.11 0.01 0.00 -0.52 0.00 0.00 37.83 33.00 1rrj s LYS 374 CO 0.26 -1.08 1.08 -0.98 -0.92 0.00 0.00 175.35 173.70 1rrj s ARG 375 N 1.98 2.80 0.05 1.68 3.03 -1.26 -2.15 118.95 125.07 1rrj s ARG 375 Ca 0.08 1.16 -0.30 0.00 2.03 0.00 0.00 55.73 58.69 1rrj s ARG 375 Cb -0.22 -1.96 -0.08 0.00 -1.03 0.00 0.00 34.95 31.65 1rrj s ARG 375 CO 0.09 -1.22 1.69 0.50 -1.13 0.00 0.00 175.30 175.22 1rrj s ARG 376 N -4.60 4.19 -0.16 3.89 3.52 -1.26 -4.70 118.95 119.82 1rrj s ARG 376 Ca 0.62 2.35 -0.29 0.00 -0.13 0.00 0.00 55.73 58.27 1rrj s ARG 376 Cb -0.17 -3.72 -0.01 0.00 -1.56 0.00 0.00 34.95 29.49 1rrj s ARG 376 CO 0.49 -0.78 1.28 0.42 -0.81 0.00 0.00 175.30 175.89 1rrj s ILE 377 N 3.06 4.26 0.22 4.11 -1.09 -1.26 -5.03 121.20 125.47 1rrj s ILE 377 Ca 0.75 1.52 0.06 0.00 -2.23 0.00 0.00 60.65 60.75 1rrj s ILE 377 Cb -0.39 -3.98 -0.03 0.00 -1.58 0.00 0.00 42.46 36.47 1rrj s ILE 377 CO 0.33 -0.14 0.23 -0.04 -1.23 0.00 0.00 174.94 174.09 1rrj s MET 378 N 3.53 3.08 0.54 2.79 -1.94 -1.26 -4.90 119.30 121.13 1rrj s MET 378 Ca 0.55 -0.90 0.24 0.00 -1.71 0.00 0.00 55.69 53.87 1rrj s MET 378 Cb -0.22 -2.69 1.40 0.00 2.01 0.00 0.00 34.83 35.33 1rrj s MET 378 CO 0.15 0.44 2.03 -1.35 -0.01 0.00 0.00 175.02 176.27 1rrj h PRO 379 N 1.69 0.00 0.00 2.03 0.11 -1.96 -0.39 132.00 133.49 1rrj h PRO 379 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1rrj h PRO 379 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1rrj h PRO 379 CO 0.62 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 1rrj n GLU 380 N -4.33 0.18 0.00 1.05 4.71 -1.11 -1.47 120.64 119.67 1rrj n GLU 380 Ca 0.07 0.51 0.10 0.00 -0.01 0.00 0.00 57.16 57.84 1rrj n GLU 380 Cb 0.50 -1.92 -0.06 0.00 -1.01 0.00 0.00 31.44 28.96 1rrj n GLU 380 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1rrj n ASP 381 N -2.27 0.80 -4.69 1.62 8.00 -0.16 -3.87 116.55 115.99 1rrj n ASP 381 Ca 0.01 -0.73 -0.40 0.00 0.71 0.00 0.00 54.79 54.37 1rrj n ASP 381 Cb 0.15 0.97 -0.05 0.00 -0.02 0.00 0.00 41.12 42.17 1rrj n ASP 381 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rrj s ILE 382 N -3.07 4.99 -0.23 0.53 -1.09 -0.54 -4.41 121.20 117.38 1rrj s ILE 382 Ca 0.07 1.45 -0.07 0.00 -2.23 0.00 0.00 60.65 59.87 1rrj s ILE 382 Cb 0.16 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 1rrj s ILE 382 CO 0.84 0.15 0.06 -0.63 -1.23 0.00 0.00 174.94 174.13 1rrj s ILE 383 N 1.48 4.32 -0.12 2.92 1.01 0.71 -0.98 121.20 130.54 1rrj s ILE 383 Ca 0.36 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 1rrj s ILE 383 Cb -0.17 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1rrj s ILE 383 CO 0.15 0.37 0.16 -0.63 0.00 0.00 0.00 174.94 174.98 1rrj s ILE 384 N 1.33 5.47 -0.13 2.92 -1.09 -0.31 -0.99 121.20 128.40 1rrj s ILE 384 Ca 0.05 0.25 0.02 0.00 -2.23 0.00 0.00 60.65 58.73 1rrj s ILE 384 Cb -0.15 -3.43 0.01 0.00 -1.58 0.00 0.00 42.46 37.32 1rrj s ILE 384 CO 0.03 0.60 -0.19 0.21 -1.23 0.00 0.00 174.94 174.36 1rrj s ASN 385 N -0.87 2.81 0.29 3.58 2.47 0.77 -0.16 114.94 123.82 1rrj s ASN 385 Ca 0.15 -0.53 -0.20 0.00 0.42 0.00 0.00 52.86 52.70 1rrj s ASN 385 Cb -0.12 -1.29 0.02 0.00 -1.45 0.00 0.00 41.25 38.41 1rrj s ASN 385 CO 0.04 0.05 0.72 0.00 -3.72 0.00 0.00 177.10 174.18 1rrj s SER 387 N -2.94 6.32 0.59 0.00 1.04 -0.77 -4.08 113.70 113.86 1rrj s SER 387 Ca 0.12 1.37 0.34 0.00 0.48 0.00 0.00 55.95 58.26 1rrj s SER 387 Cb -0.06 -2.44 1.87 0.00 0.10 0.00 0.00 66.02 65.49 1rrj s SER 387 CO 0.08 -0.76 2.21 0.11 0.98 0.00 0.00 173.24 175.86 1rrj h LYS 388 N 0.06 0.00 -0.26 4.02 1.57 -1.91 -2.47 116.57 117.58 1rrj h LYS 388 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1rrj h LYS 388 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1rrj h LYS 388 CO 0.62 0.04 0.00 -0.40 -0.57 0.00 0.00 179.45 179.14 1rrj n ASP 389 N -3.46 3.25 -4.90 0.86 3.85 -1.26 -4.97 116.55 109.91 1rrj n ASP 389 Ca -0.02 -1.97 -0.28 0.00 -0.71 0.00 0.00 54.79 51.81 1rrj n ASP 389 Cb 0.15 -0.16 -0.02 0.00 -1.35 0.00 0.00 41.12 39.73 1rrj n ASP 389 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1rrj s ALA 390 N -1.60 3.52 -0.48 2.12 0.00 -0.93 -5.02 121.76 119.37 1rrj s ALA 390 Ca 0.34 -0.51 -0.29 0.00 0.00 0.00 0.00 51.96 51.50 1rrj s ALA 390 Cb 0.21 -2.43 0.02 0.00 0.00 0.00 0.00 23.12 20.92 1rrj s ALA 390 CO 0.30 0.03 1.28 0.21 0.00 0.00 0.00 175.76 177.58 1rrj s LYS 391 N -3.96 3.58 0.10 0.00 2.20 -1.26 -4.93 119.74 115.47 1rrj s LYS 391 Ca 0.46 0.64 -0.31 0.00 -0.36 0.00 0.00 55.97 56.39 1rrj s LYS 391 Cb -0.10 -3.99 -0.09 0.00 -1.51 0.00 0.00 37.83 32.13 1rrj s LYS 391 CO 0.34 -1.57 1.64 0.08 -0.36 0.00 0.00 175.35 175.48 1rrj s VAL 392 N 5.10 2.87 0.35 4.02 1.01 -1.26 -4.67 120.40 127.83 1rrj s VAL 392 Ca 0.53 0.44 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 1rrj s VAL 392 Cb -0.10 -3.28 -0.11 0.00 0.00 0.00 0.00 36.38 32.89 1rrj s VAL 392 CO 0.30 0.01 1.42 -2.16 0.00 0.00 0.00 175.10 174.67 1rrj s PRO 393 N 2.19 4.21 0.06 2.72 0.04 -1.26 -5.00 135.00 137.95 1rrj s PRO 393 Ca 0.73 2.43 -0.22 0.00 0.04 0.00 0.00 61.00 63.98 1rrj s PRO 393 Cb -0.41 -3.01 -0.06 0.00 0.04 0.00 0.00 34.50 31.05 1rrj s PRO 393 CO 0.32 -0.40 0.66 -1.12 0.04 0.00 0.00 177.00 176.50 1rrj s SER 394 N -0.24 7.13 0.80 6.66 0.01 -1.26 -5.03 113.70 121.77 1rrj s SER 394 Ca 0.52 1.34 -0.11 0.00 1.31 0.00 0.00 55.95 59.00 1rrj s SER 394 Cb -0.44 -2.41 0.07 0.00 0.21 0.00 0.00 66.02 63.45 1rrj s SER 394 CO 0.58 0.14 1.10 -2.16 0.41 0.00 0.00 173.24 173.32 1rrj s PRO 395 N -0.56 2.07 0.41 12.44 0.04 -1.26 -4.99 135.00 143.15 1rrj s PRO 395 Ca 0.33 0.63 -0.26 0.00 0.04 0.00 0.00 61.00 61.74 1rrj s PRO 395 Cb -0.20 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.33 1rrj s PRO 395 CO 0.21 -1.63 1.41 -2.30 0.04 0.00 0.00 177.00 174.73 1rrj n PRO 396 N -3.44 2.33 -1.66 0.56 -0.02 -1.26 -4.86 135.00 126.65 1rrj n PRO 396 Ca 0.07 0.82 -0.50 0.00 -2.02 0.00 0.00 63.50 61.88 1rrj n PRO 396 Cb 0.56 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 1rrj n PRO 396 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rrj n PRO 397 N 0.12 1.76 -0.36 0.52 -0.02 -1.26 -1.92 135.00 133.84 1rrj n PRO 397 Ca 0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1rrj n PRO 397 Cb 0.40 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 1rrj n PRO 397 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rrj n GLY 398 N 3.52 0.79 3.24 -1.23 0.00 -1.26 -5.07 105.19 105.18 1rrj n GLY 398 Ca 0.20 -0.26 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1rrj n GLY 398 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rrj s HIS 399 N -2.00 1.27 0.03 1.61 3.76 -0.81 -5.17 115.29 113.98 1rrj s HIS 399 Ca 0.00 -1.27 -0.04 0.00 -0.15 0.00 0.00 55.06 53.59 1rrj s HIS 399 Cb 0.00 -0.68 -0.01 0.00 1.11 0.00 0.00 32.58 33.00 1rrj s HIS 399 CO 0.00 -0.49 0.07 0.21 -0.85 0.00 0.00 174.74 173.68 1rrj s LYS 400 N -4.09 0.51 0.50 1.40 2.20 -1.26 -4.76 119.74 114.24 1rrj s LYS 400 Ca 0.36 -0.68 -0.14 0.00 -0.36 0.00 0.00 55.97 55.15 1rrj s LYS 400 Cb 0.07 0.20 -0.07 0.00 -1.51 0.00 0.00 37.83 36.52 1rrj s LYS 400 CO 0.11 -0.12 0.92 -1.58 -0.36 0.00 0.00 175.35 174.32 1rrj s TRP 401 N -2.21 3.49 0.16 4.03 0.23 -1.26 -2.75 118.94 120.63 1rrj s TRP 401 Ca -0.08 1.29 -0.13 0.00 -2.03 0.00 0.00 56.10 55.15 1rrj s TRP 401 Cb -0.04 -2.66 0.04 0.00 0.03 0.00 0.00 33.47 30.84 1rrj s TRP 401 CO -0.03 -0.33 1.67 -0.22 0.96 0.00 0.00 176.95 179.00 1rrj h LYS 402 N 0.81 0.83 -1.90 4.98 3.64 -1.00 -3.47 116.57 120.47 1rrj h LYS 402 Ca -0.47 -0.19 -0.03 0.00 -1.27 0.00 0.00 60.65 58.70 1rrj h LYS 402 Cb 1.19 -0.11 -0.20 0.00 -0.41 0.00 0.00 32.23 32.69 1rrj h LYS 402 CO 0.62 0.78 0.26 -2.00 -2.27 0.00 0.00 179.45 176.84 1rrj s GLU 403 N -5.35 0.92 -0.28 1.90 2.12 -1.18 -5.00 118.70 111.83 1rrj s GLU 403 Ca -0.13 0.36 0.03 0.00 0.36 0.00 0.00 54.97 55.59 1rrj s GLU 403 Cb 0.12 0.44 0.07 0.00 0.26 0.00 0.00 34.13 35.01 1rrj s GLU 403 CO 0.80 -0.26 -0.08 0.08 -0.54 0.00 0.00 175.26 175.26 1rrj s VAL 404 N -0.90 2.24 0.35 3.70 1.01 -1.26 -1.17 120.40 124.38 1rrj s VAL 404 Ca -0.07 -1.74 0.09 0.00 0.00 0.00 0.00 61.98 60.25 1rrj s VAL 404 Cb -0.01 -2.38 -0.06 0.00 0.00 0.00 0.00 36.38 33.93 1rrj s VAL 404 CO 0.07 -0.13 0.02 0.00 0.00 0.00 0.00 175.10 175.05 1rrj s ARG 405 N 1.08 2.06 -0.51 2.72 1.70 0.77 -4.98 118.95 121.79 1rrj s ARG 405 Ca -0.05 -1.80 0.08 0.00 -0.47 0.00 0.00 55.73 53.48 1rrj s ARG 405 Cb -0.20 -1.89 0.30 0.00 -0.57 0.00 0.00 34.95 32.59 1rrj s ARG 405 CO -0.05 0.10 0.75 0.72 -1.08 0.00 0.00 175.30 175.73 1rrj n HIS 406 N -0.97 2.08 -3.34 5.89 8.25 -1.26 -2.11 115.22 123.76 1rrj n HIS 406 Ca -0.04 -3.90 -0.44 0.00 -0.26 0.00 0.00 57.72 53.07 1rrj n HIS 406 Cb 0.63 -0.46 -0.07 0.00 1.12 0.00 0.00 29.99 31.21 1rrj n HIS 406 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1rrj s ASP 407 N -2.44 6.16 0.00 0.41 2.15 -1.26 -4.92 116.67 116.77 1rrj s ASP 407 Ca 0.41 -1.31 0.06 0.00 0.43 0.00 0.00 52.55 52.14 1rrj s ASP 407 Cb 0.23 -2.20 0.17 0.00 -0.30 0.00 0.00 42.92 40.82 1rrj s ASP 407 CO -0.08 -0.71 1.14 -0.46 -0.17 0.00 0.00 175.17 174.88 1rrj n ASN 408 N 5.37 1.01 -0.32 -0.34 6.94 -1.26 -3.29 115.26 123.36 1rrj n ASN 408 Ca -0.12 -2.00 0.11 0.00 -0.02 0.00 0.00 54.58 52.55 1rrj n ASN 408 Cb 0.44 -0.13 0.03 0.00 -2.36 0.00 0.00 39.78 37.76 1rrj n ASN 408 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1rrj n LYS 409 N 0.05 0.82 -4.48 -3.83 4.76 -1.26 -0.85 118.16 113.37 1rrj n LYS 409 Ca 0.06 -0.65 -0.25 0.00 -2.87 0.00 0.00 58.31 54.60 1rrj n LYS 409 Cb 0.16 -1.49 -0.10 0.00 -1.84 0.00 0.00 35.03 31.76 1rrj n LYS 409 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1rrj s VAL 410 N -2.63 2.45 -1.04 -0.18 -7.23 -1.21 -4.79 120.40 105.77 1rrj s VAL 410 Ca 0.16 -2.24 0.18 0.00 -1.81 0.00 0.00 61.98 58.27 1rrj s VAL 410 Cb 0.18 -2.54 -0.15 0.00 0.56 0.00 0.00 36.38 34.43 1rrj s VAL 410 CO 0.64 -0.29 0.80 0.35 -0.31 0.00 0.00 175.10 176.29 1rrj n THR 411 N -0.75 0.00 -2.42 5.32 -2.24 -1.26 -4.80 114.28 108.13 1rrj n THR 411 Ca -0.05 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.28 1rrj n THR 411 Cb 0.62 1.05 -0.03 0.00 -2.10 0.00 0.00 70.33 69.87 1rrj n THR 411 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1rrj s TRP 412 N -2.54 3.48 -0.22 4.78 1.48 -1.26 -4.63 118.94 120.03 1rrj s TRP 412 Ca 0.09 1.36 0.03 0.00 -1.06 0.00 0.00 56.10 56.52 1rrj s TRP 412 Cb 0.14 -2.71 -0.15 0.00 -1.16 0.00 0.00 33.47 29.58 1rrj s TRP 412 CO 0.66 -0.36 -0.17 1.28 -4.06 0.00 0.00 176.95 174.30 1rrj n LEU 413 N -1.68 2.69 -3.92 -4.66 4.32 -0.71 -4.68 117.00 108.36 1rrj n LEU 413 Ca 0.06 -0.11 -0.12 0.00 -0.02 0.00 0.00 56.01 55.82 1rrj n LEU 413 Cb 0.54 -0.67 -0.13 0.00 -1.62 0.00 0.00 43.42 41.54 1rrj n LEU 413 CO 0.48 0.84 -0.37 -0.69 -1.22 0.00 0.00 177.39 176.43 1rrj s VAL 414 N -2.45 0.13 0.05 4.08 1.01 -1.21 -0.17 120.40 121.85 1rrj s VAL 414 Ca -0.28 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 1rrj s VAL 414 Cb 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.29 1rrj s VAL 414 CO 0.54 -0.12 0.20 -0.94 0.00 0.00 0.00 175.10 174.77 1rrj s SER 415 N -0.47 0.05 0.23 3.32 1.04 -0.16 -1.44 113.70 116.27 1rrj s SER 415 Ca -0.04 -0.44 -0.21 0.00 0.48 0.00 0.00 55.95 55.74 1rrj s SER 415 Cb -0.03 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.43 1rrj s SER 415 CO -0.00 -0.60 0.65 -1.66 0.98 0.00 0.00 173.24 172.61 1rrj s TRP 416 N -2.90 -0.30 -0.17 5.02 -2.14 -1.03 -0.21 118.94 117.21 1rrj s TRP 416 Ca -0.02 -0.06 -0.07 0.00 2.66 0.00 0.00 56.10 58.60 1rrj s TRP 416 Cb 0.00 0.62 -0.04 0.00 -3.10 0.00 0.00 33.47 30.95 1rrj s TRP 416 CO -0.06 -1.07 0.06 0.99 -2.66 0.00 0.00 176.95 174.21 1rrj s THR 417 N -3.86 4.76 0.07 0.66 2.01 -1.26 -0.69 115.64 117.32 1rrj s THR 417 Ca 0.08 -0.05 -0.14 0.00 0.31 0.00 0.00 61.69 61.88 1rrj s THR 417 Cb -0.04 -3.12 -0.06 0.00 0.01 0.00 0.00 72.50 69.29 1rrj s THR 417 CO -0.01 0.49 0.47 -1.83 -0.69 0.00 0.00 174.62 173.05 1rrj s GLU 418 N 0.16 3.94 0.30 4.92 4.04 -0.37 -4.96 118.70 126.74 1rrj s GLU 418 Ca 0.04 0.43 0.26 0.00 0.04 0.00 0.00 54.97 55.74 1rrj s GLU 418 Cb -0.12 -3.09 0.91 0.00 0.02 0.00 0.00 34.13 31.85 1rrj s GLU 418 CO 0.01 0.60 1.76 -2.95 -1.84 0.00 0.00 175.26 172.84 1rrj h ASN 419 N 4.14 0.00 0.39 0.83 -0.00 -1.92 -2.39 115.58 116.63 1rrj h ASN 419 Ca -0.50 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 55.78 1rrj h ASN 419 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.53 1rrj h ASN 419 CO 0.64 0.00 -0.19 0.40 -0.00 0.00 0.00 177.43 178.28 1rrj h ILE 420 N 0.00 0.01 0.00 6.14 1.08 -1.96 -3.39 117.51 119.39 1rrj h ILE 420 Ca 0.00 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 1rrj h ILE 420 Cb 0.58 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.34 1rrj h ILE 420 CO 0.00 0.00 -1.87 0.00 -0.69 0.00 0.00 178.15 175.59 1rrj n GLN 421 N -5.13 0.60 -0.68 2.37 1.13 -1.26 -5.00 117.38 109.42 1rrj n GLN 421 Ca -0.07 -0.17 0.00 0.00 -1.94 0.00 0.00 57.00 54.83 1rrj n GLN 421 Cb 0.21 -1.53 0.00 0.00 0.11 0.00 0.00 30.24 29.03 1rrj n GLN 421 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1rrj n GLY 422 N 1.28 0.60 3.95 1.08 0.00 -0.90 -5.07 105.19 106.12 1rrj n GLY 422 Ca -0.03 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 1rrj n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rrj s SER 423 N -2.54 6.26 -0.13 1.61 1.04 -1.24 -4.79 113.70 113.91 1rrj s SER 423 Ca 0.00 0.34 -0.23 0.00 0.48 0.00 0.00 55.95 56.54 1rrj s SER 423 Cb 0.00 -1.94 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 1rrj s SER 423 CO 0.00 -0.27 0.69 -0.63 0.98 0.00 0.00 173.24 174.01 1rrj s ILE 424 N -2.25 5.01 0.09 -1.02 1.01 -1.26 -1.23 121.20 121.55 1rrj s ILE 424 Ca 0.39 1.37 0.02 0.00 0.00 0.00 0.00 60.65 62.43 1rrj s ILE 424 Cb -0.09 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 1rrj s ILE 424 CO 0.34 0.16 0.17 -0.54 0.00 0.00 0.00 174.94 175.08 1rrj s LYS 425 N 1.43 3.21 0.17 2.79 -0.14 0.13 -4.97 119.74 122.36 1rrj s LYS 425 Ca 0.34 -0.58 0.03 0.00 -1.36 0.00 0.00 55.97 54.40 1rrj s LYS 425 Cb -0.17 -2.89 -0.05 0.00 -1.68 0.00 0.00 37.83 33.04 1rrj s LYS 425 CO 0.14 0.57 -0.05 0.71 -0.76 0.00 0.00 175.35 175.96 1rrj s TYR 426 N -1.52 1.30 -0.23 3.18 1.51 -1.26 -2.47 117.35 117.85 1rrj s TYR 426 Ca 0.33 -0.88 0.02 0.00 -1.01 0.00 0.00 57.07 55.53 1rrj s TYR 426 Cb -0.12 -0.71 0.05 0.00 -0.11 0.00 0.00 41.96 41.06 1rrj s TYR 426 CO 0.26 -0.04 -0.12 0.42 -1.11 0.00 0.00 175.55 174.96 1rrj s ILE 427 N -3.45 1.99 0.47 2.71 1.01 -0.52 -4.99 121.20 118.42 1rrj s ILE 427 Ca 0.21 -1.35 0.03 0.00 0.00 0.00 0.00 60.65 59.54 1rrj s ILE 427 Cb 0.04 -2.05 -0.03 0.00 0.01 0.00 0.00 42.46 40.44 1rrj s ILE 427 CO 0.03 0.11 0.02 -0.04 0.00 0.00 0.00 174.94 175.06 1rrj s MET 428 N 1.22 2.10 0.67 2.79 -1.94 -1.26 -1.73 119.30 121.15 1rrj s MET 428 Ca -0.05 -2.30 -0.14 0.00 -1.71 0.00 0.00 55.69 51.49 1rrj s MET 428 Cb -0.18 -1.44 0.00 0.00 2.01 0.00 0.00 34.83 35.23 1rrj s MET 428 CO -0.07 -0.30 1.09 -0.51 -0.01 0.00 0.00 175.02 175.22 1rrj s LEU 429 N -3.80 3.32 0.65 -0.03 1.43 -1.26 -2.50 118.68 116.48 1rrj s LEU 429 Ca 0.15 1.90 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 1rrj s LEU 429 Cb 0.04 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.71 1rrj s LEU 429 CO 0.08 -1.61 1.09 0.21 0.23 0.00 0.00 176.35 176.35 1rrj s ASN 430 N -2.87 5.31 0.65 2.29 3.04 -0.46 -4.42 114.94 118.47 1rrj s ASN 430 Ca 0.64 1.89 0.24 0.00 0.04 0.00 0.00 52.86 55.68 1rrj s ASN 430 Cb -0.18 -2.54 1.29 0.00 -1.54 0.00 0.00 41.25 38.27 1rrj s ASN 430 CO 0.44 -1.49 1.73 -0.65 -3.04 0.00 0.00 177.10 174.09 1rrj h PRO 431 N 0.02 0.00 -0.00 0.43 0.11 -1.96 -1.72 132.00 128.87 1rrj h PRO 431 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rrj h PRO 431 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1rrj h PRO 431 CO 0.55 0.00 -0.13 -1.13 -0.21 0.00 0.00 178.00 177.08 1rrj n SER 432 N -3.01 0.32 -4.79 -2.05 3.41 -1.26 -4.07 113.62 102.18 1rrj n SER 432 Ca 0.02 -0.25 -0.30 0.00 -0.26 0.00 0.00 58.87 58.08 1rrj n SER 432 Cb 0.60 -0.14 0.09 0.00 -0.26 0.00 0.00 64.21 64.50 1rrj n SER 432 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rrj s SER 433 N -2.68 4.57 0.09 4.04 1.04 -0.65 -4.88 113.70 115.23 1rrj s SER 433 Ca 0.23 1.45 -0.18 0.00 0.48 0.00 0.00 55.95 57.93 1rrj s SER 433 Cb 0.19 -2.21 -0.07 0.00 0.10 0.00 0.00 66.02 64.03 1rrj s SER 433 CO 0.52 -1.94 1.56 -0.09 0.98 0.00 0.00 173.24 174.27 1rrj h ARG 434 N -1.06 0.45 0.00 4.02 2.43 -1.90 -0.88 114.38 117.44 1rrj h ARG 434 Ca -0.46 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 58.57 1rrj h ARG 434 Cb 1.25 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1rrj h ARG 434 CO 0.57 0.58 -0.06 0.97 -1.51 0.00 0.00 179.97 180.52 1rrj h ILE 435 N 0.25 0.75 0.01 1.20 2.10 -1.94 0.45 117.51 120.33 1rrj h ILE 435 Ca 0.08 -0.23 -0.28 0.00 1.08 0.00 0.00 64.86 65.51 1rrj h ILE 435 Cb 0.36 1.13 -0.04 0.00 -1.09 0.00 0.00 36.82 37.18 1rrj h ILE 435 CO 0.01 0.06 -1.54 0.29 -1.08 0.00 0.00 178.15 175.88 1rrj n LYS 436 N -4.04 0.58 -0.27 2.19 4.76 -1.18 -4.12 118.16 116.08 1rrj n LYS 436 Ca -0.03 0.50 -0.04 0.00 -2.87 0.00 0.00 58.31 55.88 1rrj n LYS 436 Cb 0.15 -1.70 0.12 0.00 -1.84 0.00 0.00 35.03 31.75 1rrj n LYS 436 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 1rrj h GLY 437 N -0.85 1.21 1.42 0.72 0.00 -1.05 -1.59 103.07 102.92 1rrj h GLY 437 Ca -0.42 -0.61 -0.09 0.00 0.00 0.00 0.00 47.33 46.21 1rrj h GLY 437 CO -0.23 0.58 -0.14 -2.09 0.00 0.00 0.00 176.54 174.66 1rrj h GLU 438 N 1.11 0.69 -0.04 4.80 4.81 -1.13 -0.74 114.58 124.08 1rrj h GLU 438 Ca 0.27 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 59.13 1rrj h GLU 438 Cb 0.14 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1rrj h GLU 438 CO -0.03 0.80 -0.59 -0.22 -0.73 0.00 0.00 179.01 178.24 1rrj h LYS 439 N 0.62 0.14 -0.26 1.92 3.64 -1.64 -1.21 116.57 119.78 1rrj h LYS 439 Ca 0.10 -0.10 -0.19 0.00 -1.27 0.00 0.00 60.65 59.20 1rrj h LYS 439 Cb 0.59 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.43 1rrj h LYS 439 CO 0.04 0.69 -0.57 0.22 -2.27 0.00 0.00 179.45 177.56 1rrj h ASP 440 N 0.11 0.91 -0.57 4.20 3.58 -0.98 -0.89 116.42 122.78 1rrj h ASP 440 Ca -0.01 -0.50 -0.06 0.00 0.42 0.00 0.00 57.03 56.89 1rrj h ASP 440 Cb 1.07 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.84 1rrj h ASP 440 CO 0.09 1.29 0.14 -0.25 -2.88 0.00 0.00 179.24 177.62 1rrj h TRP 441 N 0.62 0.96 -0.49 0.28 7.01 -0.97 -2.43 115.95 120.92 1rrj h TRP 441 Ca 0.01 -0.11 -0.08 0.00 2.11 0.00 0.00 58.89 60.81 1rrj h TRP 441 Cb 1.17 -0.27 -0.02 0.00 -2.10 0.00 0.00 29.16 27.94 1rrj h TRP 441 CO 0.07 0.82 -0.03 1.96 -2.79 0.00 0.00 178.44 178.47 1rrj h GLN 442 N 0.82 0.84 -0.80 2.65 4.20 -1.05 -1.37 115.11 120.40 1rrj h GLN 442 Ca 0.18 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.65 1rrj h GLN 442 Cb 0.35 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1rrj h GLN 442 CO 0.00 0.86 0.53 -0.22 -0.67 0.00 0.00 178.83 179.33 1rrj h LYS 443 N 0.78 1.04 -0.10 1.46 3.64 -0.78 0.00 116.57 122.62 1rrj h LYS 443 Ca 0.14 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 1rrj h LYS 443 Cb 0.51 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1rrj h LYS 443 CO 0.03 0.69 -0.68 1.88 -2.27 0.00 0.00 179.45 179.10 1rrj h TYR 444 N 1.07 0.54 -0.16 1.91 0.05 -1.11 -2.31 116.97 116.97 1rrj h TYR 444 Ca 0.29 -0.23 -0.11 0.00 0.05 0.00 0.00 58.73 58.74 1rrj h TYR 444 Cb -0.12 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 37.52 1rrj h TYR 444 CO -0.02 0.96 -0.37 0.93 -1.05 0.00 0.00 178.16 178.61 1rrj h GLU 445 N 0.29 0.34 -0.49 4.88 4.39 -0.79 -1.47 114.58 121.73 1rrj h GLU 445 Ca -0.02 -0.15 -0.11 0.00 0.34 0.00 0.00 59.36 59.42 1rrj h GLU 445 Cb 1.24 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 1rrj h GLU 445 CO 0.12 0.67 -0.13 1.15 -1.16 0.00 0.00 179.01 179.65 1rrj h THR 446 N 0.29 1.27 0.00 1.13 2.02 -0.84 -1.47 112.91 115.30 1rrj h THR 446 Ca 0.03 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 65.88 1rrj h THR 446 Cb 0.79 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1rrj h THR 446 CO 0.06 0.44 -0.33 0.00 0.37 0.00 0.00 175.52 176.06 1rrj h ALA 447 N 1.02 1.27 0.05 6.16 0.00 -0.89 -1.66 119.26 125.21 1rrj h ALA 447 Ca 0.13 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.51 1rrj h ALA 447 Cb 0.67 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1rrj h ALA 447 CO 0.05 0.41 -1.03 0.00 0.00 0.00 0.00 179.25 178.68 1rrj h ARG 448 N 0.00 0.19 -0.05 0.00 3.08 -0.90 -2.99 114.38 113.72 1rrj h ARG 448 Ca -0.00 -0.27 -0.12 0.00 0.07 0.00 0.00 59.98 59.66 1rrj h ARG 448 Cb 0.66 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 1rrj h ARG 448 CO 0.04 1.06 -0.51 0.00 -1.07 0.00 0.00 179.97 179.49 1rrj h ARG 449 N 0.08 0.13 -0.35 0.04 3.08 -0.73 -2.79 114.38 113.84 1rrj h ARG 449 Ca -0.07 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.80 1rrj h ARG 449 Cb 1.72 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.77 1rrj h ARG 449 CO 0.16 0.61 -0.22 1.25 -1.07 0.00 0.00 179.97 180.70 1rrj h LEU 450 N 0.10 0.70 -0.88 3.04 5.85 -1.30 -3.12 115.31 119.70 1rrj h LEU 450 Ca 0.00 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.58 1rrj h LEU 450 Cb 0.94 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1rrj h LEU 450 CO 0.07 0.91 0.52 0.50 -0.34 0.00 0.00 178.44 180.11 1rrj h LYS 451 N 0.61 0.84 0.00 1.25 3.64 -1.34 -0.04 116.57 121.53 1rrj h LYS 451 Ca 0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1rrj h LYS 451 Cb 0.71 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1rrj h LYS 451 CO 0.05 0.56 0.00 0.36 -2.27 0.00 0.00 179.45 178.15 1rrj n LYS 452 N -4.70 0.37 -0.15 1.90 2.85 -1.18 -3.55 118.16 113.71 1rrj n LYS 452 Ca 0.15 0.04 0.02 0.00 -1.05 0.00 0.00 58.31 57.47 1rrj n LYS 452 Cb 0.30 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.20 1rrj n LYS 452 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1rrj h VAL 454 N 2.98 1.32 -0.13 0.00 3.04 -1.09 -2.86 116.25 119.51 1rrj h VAL 454 Ca 0.00 -1.73 -0.12 0.00 -1.01 0.00 0.00 66.70 63.85 1rrj h VAL 454 Cb 1.00 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 32.00 1rrj h VAL 454 CO 0.00 0.53 -0.42 0.44 -1.01 0.00 0.00 177.57 177.11 1rrj h ASP 455 N 0.39 0.33 -0.44 3.17 5.19 -1.88 -0.51 116.42 122.67 1rrj h ASP 455 Ca 0.02 -0.14 -0.12 0.00 -0.62 0.00 0.00 57.03 56.17 1rrj h ASP 455 Cb 1.02 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 40.42 1rrj h ASP 455 CO 0.09 0.72 -0.16 0.50 -3.12 0.00 0.00 179.24 177.27 1rrj h LYS 456 N 0.26 0.93 -0.14 3.56 3.64 -1.92 -1.13 116.57 121.77 1rrj h LYS 456 Ca 0.02 -0.36 -0.23 0.00 -1.27 0.00 0.00 60.65 58.82 1rrj h LYS 456 Cb 0.86 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1rrj h LYS 456 CO 0.07 1.02 -0.81 0.82 -2.27 0.00 0.00 179.45 178.28 1rrj h ILE 457 N 0.82 1.28 -0.59 2.00 2.04 -1.28 -2.81 117.51 118.96 1rrj h ILE 457 Ca 0.12 -2.01 -0.02 0.00 1.00 0.00 0.00 64.86 63.95 1rrj h ILE 457 Cb 0.71 2.02 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 1rrj h ILE 457 CO 0.05 0.63 0.28 0.03 0.00 0.00 0.00 178.15 179.15 1rrj h ARG 458 N 0.52 0.85 -0.30 2.37 3.08 -0.96 -1.41 114.38 118.54 1rrj h ARG 458 Ca -0.06 -0.13 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1rrj h ARG 458 Cb 1.44 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 1rrj h ARG 458 CO 0.16 0.69 -0.15 -0.91 -1.07 0.00 0.00 179.97 178.70 1rrj h ASN 459 N 0.80 0.50 -0.12 7.04 -0.26 -1.23 -1.86 115.58 120.45 1rrj h ASN 459 Ca 0.20 -0.14 -0.16 0.00 -0.56 0.00 0.00 56.30 55.64 1rrj h ASN 459 Cb 0.12 -0.14 0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1rrj h ASN 459 CO -0.02 0.68 -0.55 -0.61 -1.06 0.00 0.00 177.43 175.87 1rrj h GLN 460 N 0.47 0.59 0.00 0.81 4.15 -1.24 -2.66 115.11 117.23 1rrj h GLN 460 Ca 0.08 -0.47 -0.06 0.00 0.77 0.00 0.00 58.65 58.98 1rrj h GLN 460 Cb 0.54 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1rrj h GLN 460 CO 0.03 1.09 -0.26 0.10 -1.93 0.00 0.00 178.83 177.86 1rrj h TYR 461 N 0.23 0.00 -0.20 3.99 -0.00 -1.14 -0.33 116.97 119.51 1rrj h TYR 461 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 58.73 58.54 1rrj h TYR 461 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.91 1rrj h TYR 461 CO 0.11 0.26 -0.52 0.00 -0.00 0.00 0.00 178.16 178.01 1rrj h ARG 462 N 0.00 0.58 0.00 0.10 3.08 -1.31 -3.03 114.38 113.80 1rrj h ARG 462 Ca -0.00 -0.35 -0.19 0.00 0.07 0.00 0.00 59.98 59.51 1rrj h ARG 462 Cb 0.75 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 1rrj h ARG 462 CO 0.03 0.96 -0.88 0.93 -1.07 0.00 0.00 179.97 179.94 1rrj h GLU 463 N 0.45 0.00 0.00 0.04 5.08 -1.10 -3.19 114.58 115.86 1rrj h GLU 463 Ca 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1rrj h GLU 463 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1rrj h GLU 463 CO 0.10 0.88 0.00 -0.25 -1.00 0.00 0.00 179.01 178.74 1rrj n ASP 464 N -3.45 0.24 0.22 1.42 8.00 -0.17 -2.27 116.55 120.55 1rrj n ASP 464 Ca -0.00 0.55 0.09 0.00 0.71 0.00 0.00 54.79 56.14 1rrj n ASP 464 Cb 0.85 -0.61 0.47 0.00 -0.02 0.00 0.00 41.12 41.81 1rrj n ASP 464 CO 0.00 0.00 0.00 -0.50 -0.39 0.00 0.00 177.20 176.31 1rrj h TRP 465 N 0.00 0.00 -0.02 1.24 6.55 -1.51 -3.04 115.95 119.16 1rrj h TRP 465 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1rrj h TRP 465 Cb 0.34 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.64 1rrj h TRP 465 CO 0.00 0.25 -0.15 1.63 -1.05 0.00 0.00 178.44 179.11 1rrj n LYS 466 N -3.47 1.52 -1.55 0.49 5.02 -0.96 -4.91 118.16 114.30 1rrj n LYS 466 Ca -0.00 -1.07 -0.35 0.00 -2.02 0.00 0.00 58.31 54.87 1rrj n LYS 466 Cb 0.42 -1.48 0.08 0.00 -0.02 0.00 0.00 35.03 34.03 1rrj n LYS 466 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1rrj s SER 467 N -2.22 4.39 0.38 4.39 1.04 -1.15 -4.95 113.70 115.58 1rrj s SER 467 Ca 0.29 2.39 0.11 0.00 0.48 0.00 0.00 55.95 59.22 1rrj s SER 467 Cb 0.20 -2.59 0.77 0.00 0.10 0.00 0.00 66.02 64.49 1rrj s SER 467 CO 0.42 -2.13 1.87 0.11 0.98 0.00 0.00 173.24 174.49 1rrj h LYS 468 N -0.04 0.10 -5.97 4.02 1.57 -1.95 -3.44 116.57 110.85 1rrj h LYS 468 Ca -0.48 -0.03 -0.61 0.00 -1.87 0.00 0.00 60.65 57.66 1rrj h LYS 468 Cb 1.30 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.54 1rrj h LYS 468 CO 0.51 0.36 -0.22 -2.00 -0.57 0.00 0.00 179.45 177.53 1rrj s GLU 469 N -4.44 3.91 0.18 3.15 2.12 -1.26 -5.02 118.70 117.34 1rrj s GLU 469 Ca -0.04 0.38 -0.05 0.00 0.36 0.00 0.00 54.97 55.62 1rrj s GLU 469 Cb 0.15 -3.23 0.07 0.00 0.26 0.00 0.00 34.13 31.38 1rrj s GLU 469 CO 0.73 0.67 1.49 1.98 -0.54 0.00 0.00 175.26 179.58 1rrj h MET 470 N 4.82 0.64 -0.44 4.30 1.85 -2.00 -2.94 114.93 121.17 1rrj h MET 470 Ca -0.51 -0.40 0.00 0.00 -0.61 0.00 0.00 59.70 58.18 1rrj h MET 470 Cb 1.22 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 33.27 1rrj h MET 470 CO 0.62 1.01 0.29 0.87 -0.40 0.00 0.00 176.91 179.30 1rrj h LYS 471 N 0.50 0.58 0.04 0.39 1.57 -1.93 0.07 116.57 117.79 1rrj h LYS 471 Ca 0.01 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.53 1rrj h LYS 471 Cb 1.09 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1rrj h LYS 471 CO 0.11 0.39 -1.02 0.28 -0.57 0.00 0.00 179.45 178.63 1rrj h VAL 472 N 0.60 1.53 -0.29 0.50 2.07 -1.91 -2.42 116.25 116.32 1rrj h VAL 472 Ca 0.16 -2.88 -0.15 0.00 0.82 0.00 0.00 66.70 64.65 1rrj h VAL 472 Cb -0.06 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1rrj h VAL 472 CO -0.03 0.84 -0.40 0.03 0.02 0.00 0.00 177.57 178.02 1rrj h ARG 473 N 0.09 0.78 -0.47 1.57 3.08 -1.11 -2.47 114.38 115.86 1rrj h ARG 473 Ca -0.07 -0.46 -0.12 0.00 0.07 0.00 0.00 59.98 59.41 1rrj h ARG 473 Cb 1.71 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.78 1rrj h ARG 473 CO 0.16 1.08 -0.16 1.96 -1.07 0.00 0.00 179.97 181.94 1rrj h GLN 474 N 0.54 0.94 -0.89 0.04 4.20 -1.07 -1.65 115.11 117.22 1rrj h GLN 474 Ca 0.03 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 1rrj h GLN 474 Cb 0.99 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 1rrj h GLN 474 CO 0.09 1.04 0.49 -0.09 -0.67 0.00 0.00 178.83 179.69 1rrj h ARG 475 N 0.79 1.25 -0.05 1.46 2.43 -1.46 -0.67 114.38 118.13 1rrj h ARG 475 Ca 0.11 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 58.98 1rrj h ARG 475 Cb 0.73 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1rrj h ARG 475 CO 0.06 0.91 -0.67 0.00 -1.51 0.00 0.00 179.97 178.75 1rrj h ALA 476 N 1.26 0.76 -0.10 2.80 0.00 -1.25 -1.73 119.26 121.01 1rrj h ALA 476 Ca 0.31 -0.59 -0.20 0.00 0.00 0.00 0.00 54.91 54.44 1rrj h ALA 476 Cb 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rrj h ALA 476 CO -0.05 0.78 -0.71 0.28 0.00 0.00 0.00 179.25 179.55 1rrj h VAL 477 N 0.17 1.32 -0.50 0.00 2.07 -0.96 -2.72 116.25 115.63 1rrj h VAL 477 Ca -0.02 -1.98 -0.07 0.00 0.82 0.00 0.00 66.70 65.46 1rrj h VAL 477 Cb 1.21 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.14 1rrj h VAL 477 CO 0.10 0.61 0.04 0.00 0.02 0.00 0.00 177.57 178.34 1rrj h ALA 478 N 0.47 1.14 -0.31 1.67 0.00 -1.10 -2.04 119.26 119.09 1rrj h ALA 478 Ca -0.06 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1rrj h ALA 478 Cb 1.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 1rrj h ALA 478 CO 0.14 0.56 -0.20 1.25 0.00 0.00 0.00 179.25 181.01 1rrj h LEU 479 N 0.76 0.56 -0.53 0.00 6.46 -1.33 -2.03 115.31 119.19 1rrj h LEU 479 Ca 0.15 -0.18 -0.08 0.00 -0.12 0.00 0.00 57.88 57.66 1rrj h LEU 479 Cb 0.40 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1rrj h LEU 479 CO 0.01 0.77 0.02 0.22 -0.62 0.00 0.00 178.44 178.84 1rrj h TYR 480 N 0.51 1.00 -0.60 1.25 3.20 -1.09 -1.51 116.97 119.73 1rrj h TYR 480 Ca 0.08 -0.17 -0.09 0.00 3.14 0.00 0.00 58.73 61.70 1rrj h TYR 480 Cb 0.62 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 1rrj h TYR 480 CO 0.02 0.91 0.03 0.74 -1.64 0.00 0.00 178.16 178.23 1rrj h PHE 481 N 0.80 1.10 0.00 -3.82 0.04 -1.09 0.11 116.94 114.07 1rrj h PHE 481 Ca 0.15 -0.17 -0.07 0.00 2.80 0.00 0.00 57.97 60.68 1rrj h PHE 481 Cb 0.50 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1rrj h PHE 481 CO 0.04 0.96 -0.34 0.82 -0.60 0.00 0.00 178.31 179.19 1rrj h ILE 482 N 0.94 0.75 0.00 -0.55 2.04 -1.24 -2.41 117.51 117.04 1rrj h ILE 482 Ca 0.18 -1.50 -0.09 0.00 1.00 0.00 0.00 64.86 64.44 1rrj h ILE 482 Cb 0.50 1.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1rrj h ILE 482 CO 0.02 0.33 -0.70 -0.78 0.00 0.00 0.00 178.15 177.03 1rrj h ASP 483 N 0.00 0.00 0.02 1.72 3.58 -0.95 -3.17 116.42 117.62 1rrj h ASP 483 Ca -0.00 -0.31 -0.00 0.00 0.42 0.00 0.00 57.03 57.13 1rrj h ASP 483 Cb 0.94 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.99 1rrj h ASP 483 CO 0.04 1.05 -0.01 0.50 -2.88 0.00 0.00 179.24 177.95 1rrj h LYS 484 N -1.00 -0.02 -0.25 0.28 3.64 -0.92 -3.34 116.57 114.96 1rrj h LYS 484 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1rrj h LYS 484 Cb 0.82 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1rrj h LYS 484 CO -0.09 0.43 0.00 1.28 -2.27 0.00 0.00 179.45 178.80 1rrj n LEU 485 N -4.88 3.16 -3.91 5.20 4.77 -0.92 -5.00 117.00 115.43 1rrj n LEU 485 Ca -0.08 -1.33 -0.28 0.00 -0.03 0.00 0.00 56.01 54.28 1rrj n LEU 485 Cb 0.24 -0.15 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 1rrj n LEU 485 CO 0.33 0.64 0.02 0.00 -1.33 0.00 0.00 177.39 177.04 1rrj n ALA 486 N 1.33 -1.53 -1.80 -1.18 0.00 -1.16 -4.86 120.51 111.31 1rrj n ALA 486 Ca 0.16 0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.30 1rrj n ALA 486 Cb 0.57 -3.46 -0.05 0.00 0.00 0.00 0.00 19.45 16.50 1rrj n ALA 486 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rrj s LEU 487 N -7.11 3.99 0.51 0.00 1.43 -1.22 -4.89 118.68 111.38 1rrj s LEU 487 Ca 0.45 1.86 -0.18 0.00 -1.03 0.00 0.00 54.13 55.23 1rrj s LEU 487 Cb -0.23 -4.42 -0.08 0.00 0.03 0.00 0.00 46.19 41.49 1rrj s LEU 487 CO 0.84 -0.50 1.00 -0.13 0.23 0.00 0.00 176.35 177.79 1rrj s ARG 488 N -2.95 3.86 -0.84 1.70 0.52 -1.26 -4.60 118.95 115.39 1rrj s ARG 488 Ca 0.62 1.12 -0.25 0.00 -0.52 0.00 0.00 55.73 56.69 1rrj s ARG 488 Cb -0.15 -2.12 0.02 0.00 0.52 0.00 0.00 34.95 33.22 1rrj s ARG 488 CO 0.19 -0.35 1.49 0.00 0.02 0.00 0.00 175.30 176.65 1rrj s ALA 489 N -2.37 2.54 -0.50 2.13 0.00 -1.26 -0.52 121.76 121.78 1rrj s ALA 489 Ca 0.62 -1.61 -0.26 0.00 0.00 0.00 0.00 51.96 50.70 1rrj s ALA 489 Cb -0.12 -4.40 -0.05 0.00 0.00 0.00 0.00 23.12 18.55 1rrj s ALA 489 CO 0.26 -3.66 2.20 0.20 0.00 0.00 0.00 175.76 174.76 1rrj s GLY 490 N 5.22 -0.12 0.36 0.00 0.00 -1.26 -4.83 107.32 106.69 1rrj s GLY 490 Ca 0.47 -0.11 -0.26 0.00 0.00 0.00 0.00 44.72 44.82 1rrj s GLY 490 CO 0.05 3.86 1.09 -1.31 0.00 0.00 0.00 173.10 176.79 1rrj s ASN 491 N 10.38 6.87 0.28 1.64 0.01 -1.26 -3.23 114.94 129.62 1rrj s ASN 491 Ca 0.88 2.19 -0.29 0.00 -0.71 0.00 0.00 52.86 54.92 1rrj s ASN 491 Cb -0.17 -2.61 -0.10 0.00 0.41 0.00 0.00 41.25 38.79 1rrj s ASN 491 CO 0.25 -0.42 1.24 -1.83 -1.51 0.00 0.00 177.10 174.83 1rrj s GLU 492 N -2.10 4.46 0.17 -0.60 1.03 -1.26 -4.92 118.70 115.48 1rrj s GLU 492 Ca 0.53 2.04 0.08 0.00 0.03 0.00 0.00 54.97 57.65 1rrj s GLU 492 Cb -0.27 -3.14 -0.04 0.00 -0.80 0.00 0.00 34.13 29.87 1rrj s GLU 492 CO 0.35 -0.07 -0.16 -1.59 -1.33 0.00 0.00 175.26 172.45 1rrj s LYS 493 N -1.27 1.24 0.03 -4.83 0.00 -1.26 -5.12 119.74 108.53 1rrj s LYS 493 Ca 0.49 -1.43 -0.30 0.00 0.00 0.00 0.00 55.97 54.73 1rrj s LYS 493 Cb -0.36 -1.19 -0.06 0.00 0.00 0.00 0.00 37.83 36.22 1rrj s LYS 493 CO 0.45 0.23 1.42 -1.21 0.00 0.00 0.00 175.35 176.24 1rrj s GLU 494 N -3.01 4.28 0.21 1.78 2.02 -1.26 -4.98 118.70 117.74 1rrj s GLU 494 Ca 0.16 2.02 -0.30 0.00 0.02 0.00 0.00 54.97 56.87 1rrj s GLU 494 Cb -0.04 -3.52 -0.09 0.00 0.10 0.00 0.00 34.13 30.58 1rrj s GLU 494 CO 0.06 -0.56 1.39 -1.83 0.02 0.00 0.00 175.26 174.34 1rrj s GLU 495 N 2.18 4.31 0.00 1.61 -1.05 -1.26 -2.97 118.70 121.52 1rrj s GLU 495 Ca 0.65 2.19 0.00 0.00 -0.15 0.00 0.00 54.97 57.66 1rrj s GLU 495 Cb -0.33 -3.16 0.00 0.00 -0.44 0.00 0.00 34.13 30.20 1rrj s GLU 495 CO 0.28 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.53 1rrj n GLY 496 N 2.49 0.73 0.05 -3.83 0.00 -1.26 -4.86 105.19 98.51 1rrj n GLY 496 Ca 0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.04 1rrj n GLY 496 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rrj n GLU 497 N -2.49 2.16 -4.40 1.61 -0.58 -1.16 -4.82 120.64 110.96 1rrj n GLU 497 Ca 0.00 -0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 1rrj n GLU 497 Cb 0.00 -1.28 -0.10 0.00 -0.57 0.00 0.00 31.44 29.48 1rrj n GLU 497 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1rrj s THR 498 N -2.27 1.03 0.22 2.62 -4.23 -1.25 -4.73 115.64 107.04 1rrj s THR 498 Ca -0.06 -2.01 -0.30 0.00 -1.18 0.00 0.00 61.69 58.15 1rrj s THR 498 Cb 0.03 -2.69 -0.09 0.00 1.34 0.00 0.00 72.50 71.10 1rrj s THR 498 CO 0.44 -0.05 1.20 0.00 -0.54 0.00 0.00 174.62 175.68 1rrj s ALA 499 N -3.42 3.45 -0.62 3.99 0.00 -1.26 -4.61 121.76 119.29 1rrj s ALA 499 Ca 0.36 0.99 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 1rrj s ALA 499 Cb 0.08 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.73 1rrj s ALA 499 CO 0.14 -0.38 2.16 0.34 0.00 0.00 0.00 175.76 178.03 1rrj s ASP 500 N -0.11 4.74 0.04 0.00 2.15 -1.26 -4.92 116.67 117.30 1rrj s ASP 500 Ca 0.51 0.49 0.03 0.00 0.43 0.00 0.00 52.55 54.01 1rrj s ASP 500 Cb -0.34 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 39.74 1rrj s ASP 500 CO 0.39 -2.82 -0.09 0.42 -0.17 0.00 0.00 175.17 172.90 1rrj s THR 501 N 11.21 0.69 0.26 1.71 -4.23 -1.26 -4.85 115.64 119.16 1rrj s THR 501 Ca 0.83 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.32 1rrj s THR 501 Cb -0.14 -0.71 -0.05 0.00 1.34 0.00 0.00 72.50 72.94 1rrj s THR 501 CO 0.19 -0.28 0.06 0.68 -0.54 0.00 0.00 174.62 174.73 1rrj s VAL 502 N -1.21 0.78 0.00 2.29 -7.23 -0.25 -5.00 120.40 109.78 1rrj s VAL 502 Ca -0.06 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1rrj s VAL 502 Cb -0.09 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1rrj s VAL 502 CO 0.01 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1rrj n GLY 503 N -0.47 5.54 0.31 2.32 0.00 -1.26 -4.17 105.19 107.45 1rrj n GLY 503 Ca -0.02 -1.67 -0.15 0.00 0.00 0.00 0.00 46.02 44.18 1rrj n GLY 503 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rrj n SER 506 N -2.16 3.44 -4.77 0.00 3.41 -1.15 -4.75 113.62 107.65 1rrj n SER 506 Ca 0.03 -2.23 -0.41 0.00 -0.26 0.00 0.00 58.87 56.01 1rrj n SER 506 Cb 0.29 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1rrj n SER 506 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rrj s LEU 507 N -1.41 4.38 0.35 1.04 1.43 -0.94 -4.69 118.68 118.83 1rrj s LEU 507 Ca 0.33 2.82 0.07 0.00 -1.03 0.00 0.00 54.13 56.32 1rrj s LEU 507 Cb 0.20 -3.65 -0.02 0.00 0.03 0.00 0.00 46.19 42.75 1rrj s LEU 507 CO 0.18 -0.71 0.38 -0.13 0.23 0.00 0.00 176.35 176.30 1rrj s ARG 508 N -1.48 2.84 0.34 1.70 0.52 -1.26 -0.98 118.95 120.64 1rrj s ARG 508 Ca 0.53 -1.23 0.05 0.00 -0.52 0.00 0.00 55.73 54.57 1rrj s ARG 508 Cb -0.43 -2.60 0.69 0.00 0.52 0.00 0.00 34.95 33.13 1rrj s ARG 508 CO 0.54 0.02 1.92 0.28 0.02 0.00 0.00 175.30 178.08 1rrj h VAL 509 N 1.06 0.98 0.00 3.52 2.07 -1.45 -1.44 116.25 121.00 1rrj h VAL 509 Ca -0.44 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1rrj h VAL 509 Cb 1.26 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1rrj h VAL 509 CO 0.55 0.15 0.00 -1.84 0.02 0.00 0.00 177.57 176.45 1rrj n GLU 510 N -4.51 0.03 0.02 1.57 0.28 -1.15 -2.87 120.64 114.01 1rrj n GLU 510 Ca 0.14 0.26 0.12 0.00 -0.16 0.00 0.00 57.16 57.52 1rrj n GLU 510 Cb 0.29 -1.56 0.32 0.00 1.43 0.00 0.00 31.44 31.92 1rrj n GLU 510 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1rrj n HIS 511 N -1.61 0.17 -4.60 -1.84 8.25 -0.54 -4.86 115.22 110.19 1rrj n HIS 511 Ca 0.04 0.05 -0.22 0.00 -0.26 0.00 0.00 57.72 57.32 1rrj n HIS 511 Cb 0.19 -0.43 -0.15 0.00 1.12 0.00 0.00 29.99 30.73 1rrj n HIS 511 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 1rrj s ILE 512 N -3.04 1.15 -0.14 1.59 -4.36 -1.14 -1.85 121.20 113.42 1rrj s ILE 512 Ca 0.11 -0.72 -0.00 0.00 -0.26 0.00 0.00 60.65 59.78 1rrj s ILE 512 Cb 0.17 -0.98 0.03 0.00 1.25 0.00 0.00 42.46 42.92 1rrj s ILE 512 CO 0.66 0.25 -0.10 0.20 0.24 0.00 0.00 174.94 176.19 1rrj s ASN 513 N -0.54 2.51 -0.14 4.36 0.01 -0.51 -4.98 114.94 115.65 1rrj s ASN 513 Ca 0.05 -0.44 -0.19 0.00 -0.71 0.00 0.00 52.86 51.57 1rrj s ASN 513 Cb -0.06 -1.01 -0.04 0.00 0.41 0.00 0.00 41.25 40.55 1rrj s ASN 513 CO -0.00 -0.10 0.54 -0.76 -1.51 0.00 0.00 177.10 175.27 1rrj s LEU 514 N 1.59 4.23 -0.11 0.60 1.43 -1.26 -0.74 118.68 124.43 1rrj s LEU 514 Ca 0.04 0.83 -0.01 0.00 -1.03 0.00 0.00 54.13 53.97 1rrj s LEU 514 Cb -0.13 -2.77 0.03 0.00 0.03 0.00 0.00 46.19 43.34 1rrj s LEU 514 CO -0.09 -0.10 -0.06 -1.00 0.23 0.00 0.00 176.35 175.33 1rrj s HIS 515 N 1.07 1.36 0.37 0.29 3.76 -0.30 -5.02 115.29 116.82 1rrj s HIS 515 Ca 0.27 -0.66 0.09 0.00 -0.15 0.00 0.00 55.06 54.62 1rrj s HIS 515 Cb -0.16 -1.17 0.74 0.00 1.11 0.00 0.00 32.58 33.10 1rrj s HIS 515 CO 0.11 -0.49 1.88 -1.35 -0.85 0.00 0.00 174.74 174.04 1rrj h PRO 516 N 8.20 0.22 -2.95 8.40 0.11 -1.94 -0.09 132.00 143.95 1rrj h PRO 516 Ca -0.28 -0.06 -0.21 0.00 0.11 0.00 0.00 66.00 65.56 1rrj h PRO 516 Cb 1.13 -0.03 -0.31 0.00 0.11 0.00 0.00 31.00 31.90 1rrj h PRO 516 CO 0.38 0.41 -0.51 -1.83 -0.21 0.00 0.00 178.00 176.24 1rrj s GLU 517 N -4.60 0.17 -0.22 1.05 -1.05 -1.26 -1.44 118.70 111.35 1rrj s GLU 517 Ca -0.05 0.63 -0.10 0.00 -0.15 0.00 0.00 54.97 55.30 1rrj s GLU 517 Cb 0.15 -0.09 0.08 0.00 -0.44 0.00 0.00 34.13 33.83 1rrj s GLU 517 CO 0.74 -0.23 0.50 -1.17 0.95 0.00 0.00 175.26 176.05 1rrj s LEU 518 N 1.85 -0.53 -1.08 1.83 1.98 -0.95 -4.91 118.68 116.86 1rrj s LEU 518 Ca -0.04 1.14 0.00 0.00 -2.89 0.00 0.00 54.13 52.34 1rrj s LEU 518 Cb -0.11 1.70 0.00 0.00 0.66 0.00 0.00 46.19 48.44 1rrj s LEU 518 CO -0.08 -0.22 0.00 0.47 -1.89 0.00 0.00 176.35 174.63 1rrj n ASP 519 N 4.65 -5.17 0.00 3.68 8.00 -1.26 -1.85 116.55 124.60 1rrj n ASP 519 Ca -0.18 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1rrj n ASP 519 Cb 0.54 -3.57 0.00 0.00 -0.02 0.00 0.00 41.12 38.07 1rrj n ASP 519 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rrj n GLY 520 N -0.47 0.69 3.64 0.44 0.00 -1.26 -5.06 105.19 103.17 1rrj n GLY 520 Ca -0.10 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1rrj n GLY 520 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rrj s GLN 521 N -0.50 2.76 0.05 1.61 -0.21 -0.77 -5.12 119.66 117.48 1rrj s GLN 521 Ca 0.00 -0.58 -0.19 0.00 0.02 0.00 0.00 55.36 54.60 1rrj s GLN 521 Cb 0.00 -2.64 -0.06 0.00 1.00 0.00 0.00 33.01 31.31 1rrj s GLN 521 CO 0.00 0.64 0.56 -1.21 -2.12 0.00 0.00 175.29 173.16 1rrj s GLU 522 N -1.26 4.21 -0.82 2.91 8.01 -1.26 -2.24 118.70 128.24 1rrj s GLU 522 Ca 0.16 0.71 -0.02 0.00 0.01 0.00 0.00 54.97 55.83 1rrj s GLU 522 Cb -0.11 -3.26 -0.01 0.00 -4.31 0.00 0.00 34.13 26.44 1rrj s GLU 522 CO 0.06 0.58 0.70 0.66 0.01 0.00 0.00 175.26 177.28 1rrj n TYR 523 N 1.97 -2.63 -3.58 1.61 4.02 -0.52 -4.36 117.16 113.67 1rrj n TYR 523 Ca -0.10 0.98 -0.36 0.00 -0.01 0.00 0.00 57.90 58.41 1rrj n TYR 523 Cb 0.51 -3.75 -0.07 0.00 -0.02 0.00 0.00 39.34 36.01 1rrj n TYR 523 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1rrj s VAL 524 N -3.07 5.32 -0.30 -0.72 1.01 -0.04 -1.02 120.40 121.57 1rrj s VAL 524 Ca 0.08 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.51 1rrj s VAL 524 Cb -0.02 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.79 1rrj s VAL 524 CO 0.79 0.42 0.04 -0.69 0.00 0.00 0.00 175.10 175.67 1rrj s VAL 525 N 0.25 3.52 -0.59 2.92 1.01 -0.77 -1.15 120.40 125.59 1rrj s VAL 525 Ca 0.16 -0.98 -0.22 0.00 0.00 0.00 0.00 61.98 60.93 1rrj s VAL 525 Cb -0.13 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.43 1rrj s VAL 525 CO 0.04 0.02 0.86 -0.70 0.00 0.00 0.00 175.10 175.32 1rrj s GLU 526 N 1.40 3.18 -0.06 2.72 2.12 0.08 -2.15 118.70 125.99 1rrj s GLU 526 Ca -0.00 -0.71 -0.23 0.00 0.36 0.00 0.00 54.97 54.39 1rrj s GLU 526 Cb -0.18 -4.15 -0.04 0.00 0.26 0.00 0.00 34.13 30.02 1rrj s GLU 526 CO 0.00 -1.56 0.68 -0.06 -0.54 0.00 0.00 175.26 173.78 1rrj s PHE 527 N 3.60 3.59 -0.30 5.30 0.40 0.17 -1.43 117.98 129.32 1rrj s PHE 527 Ca 0.22 1.24 0.02 0.00 -0.60 0.00 0.00 56.93 57.80 1rrj s PHE 527 Cb -0.17 -2.78 0.15 0.00 0.51 0.00 0.00 43.02 40.74 1rrj s PHE 527 CO 0.13 0.12 0.38 0.34 0.70 0.00 0.00 175.22 176.89 1rrj s ASP 528 N 0.67 0.81 0.28 1.36 -1.08 -0.77 -2.22 116.67 115.72 1rrj s ASP 528 Ca 0.36 -0.61 -0.16 0.00 -0.52 0.00 0.00 52.55 51.62 1rrj s ASP 528 Cb -0.18 0.89 0.01 0.00 -1.46 0.00 0.00 42.92 42.19 1rrj s ASP 528 CO 0.18 -0.35 0.61 0.72 0.52 0.00 0.00 175.17 176.84 1rrj s PHE 529 N 2.38 0.15 -0.28 -5.34 -0.12 -0.88 -4.59 117.98 109.31 1rrj s PHE 529 Ca 0.10 -0.58 -0.10 0.00 -0.05 0.00 0.00 56.93 56.31 1rrj s PHE 529 Cb -0.13 0.45 -0.03 0.00 -0.63 0.00 0.00 43.02 42.68 1rrj s PHE 529 CO -0.28 -1.16 0.14 -0.51 -0.05 0.00 0.00 175.22 173.36 1rrj s LEU 530 N -3.00 3.84 0.00 -1.99 1.43 -1.26 -0.35 118.68 117.35 1rrj s LEU 530 Ca 0.18 -0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 1rrj s LEU 530 Cb -0.03 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.16 1rrj s LEU 530 CO 0.09 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1rrj n GLY 531 N 5.00 1.42 3.69 -3.19 0.00 -0.29 -1.09 105.19 110.74 1rrj n GLY 531 Ca -0.15 -1.88 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 1rrj n GLY 531 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rrj n LYS 532 N 0.00 2.15 -1.23 1.61 4.81 -1.26 -2.03 118.16 122.20 1rrj n LYS 532 Ca 0.00 0.76 -0.08 0.00 -0.87 0.00 0.00 58.31 58.12 1rrj n LYS 532 Cb 0.00 -2.39 -0.03 0.00 0.02 0.00 0.00 35.03 32.63 1rrj n LYS 532 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rrj n ASP 533 N 1.45 -4.71 -1.40 3.14 8.00 -1.26 -3.02 116.55 118.75 1rrj n ASP 533 Ca 0.08 0.19 -0.15 0.00 0.71 0.00 0.00 54.79 55.62 1rrj n ASP 533 Cb 0.34 -2.89 -0.04 0.00 -0.02 0.00 0.00 41.12 38.52 1rrj n ASP 533 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1rrj n SER 534 N -0.33 -4.69 -4.69 -2.24 7.64 -0.86 -4.51 113.62 103.93 1rrj n SER 534 Ca -0.08 0.20 -0.42 0.00 1.01 0.00 0.00 58.87 59.58 1rrj n SER 534 Cb 0.38 -3.66 -0.03 0.00 -1.01 0.00 0.00 64.21 59.90 1rrj n SER 534 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1rrj s ILE 535 N -2.64 4.64 0.12 0.44 1.01 -1.17 -4.76 121.20 118.84 1rrj s ILE 535 Ca 0.00 1.92 -0.31 0.00 0.00 0.00 0.00 60.65 62.26 1rrj s ILE 535 Cb 0.00 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 38.16 1rrj s ILE 535 CO 0.00 0.01 1.28 -0.60 0.00 0.00 0.00 174.94 175.63 1rrj s ARG 536 N 1.99 4.40 -0.28 2.79 3.52 -1.26 -1.14 118.95 128.98 1rrj s ARG 536 Ca 0.51 1.93 -0.05 0.00 -0.13 0.00 0.00 55.73 57.99 1rrj s ARG 536 Cb -0.20 -3.27 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1rrj s ARG 536 CO 0.20 -0.28 0.02 -0.47 -0.81 0.00 0.00 175.30 173.96 1rrj s TYR 537 N 0.70 3.12 -0.10 5.12 6.14 0.52 -4.93 117.35 127.92 1rrj s TYR 537 Ca 0.59 -1.20 0.00 0.00 0.64 0.00 0.00 57.07 57.10 1rrj s TYR 537 Cb -0.34 -2.18 0.02 0.00 0.42 0.00 0.00 41.96 39.89 1rrj s TYR 537 CO 0.32 -0.63 -0.09 -0.47 0.64 0.00 0.00 175.55 175.32 1rrj s TYR 538 N 1.43 1.50 -0.21 4.97 5.04 -1.26 -2.06 117.35 126.76 1rrj s TYR 538 Ca 0.02 -0.71 -0.16 0.00 -2.44 0.00 0.00 57.07 53.77 1rrj s TYR 538 Cb -0.17 -1.21 0.06 0.00 0.35 0.00 0.00 41.96 40.99 1rrj s TYR 538 CO -0.00 -0.47 0.54 1.21 -1.34 0.00 0.00 175.55 175.49 1rrj s ASN 539 N 1.45 -0.62 -0.38 4.32 3.84 -0.94 -5.01 114.94 117.60 1rrj s ASN 539 Ca 0.00 1.13 -0.07 0.00 0.21 0.00 0.00 52.86 54.13 1rrj s ASN 539 Cb -0.13 1.09 0.07 0.00 -0.55 0.00 0.00 41.25 41.72 1rrj s ASN 539 CO -0.06 -0.20 0.19 -0.54 -2.79 0.00 0.00 177.10 173.70 1rrj s LYS 540 N 0.75 2.53 -0.13 0.43 1.02 -1.26 -0.65 119.74 122.44 1rrj s LYS 540 Ca -0.04 -1.39 0.02 0.00 0.02 0.00 0.00 55.97 54.59 1rrj s LYS 540 Cb -0.05 -3.62 0.01 0.00 -0.52 0.00 0.00 37.83 33.65 1rrj s LYS 540 CO -0.06 -0.85 -0.19 0.54 -0.92 0.00 0.00 175.35 173.87 1rrj s VAL 541 N 1.38 1.84 -0.10 3.17 0.11 -0.91 -4.94 120.40 120.95 1rrj s VAL 541 Ca 0.02 -0.85 -0.30 0.00 -2.93 0.00 0.00 61.98 57.92 1rrj s VAL 541 Cb -0.22 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 32.96 1rrj s VAL 541 CO 0.02 0.51 1.26 -2.84 -3.33 0.00 0.00 175.10 170.72 1rrj s PRO 542 N 0.86 4.29 0.48 1.54 0.02 -1.26 -1.85 135.00 139.08 1rrj s PRO 542 Ca -0.07 1.71 0.06 0.00 0.02 0.00 0.00 61.00 62.72 1rrj s PRO 542 Cb -0.15 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.70 1rrj s PRO 542 CO -0.01 -0.58 0.32 0.14 -0.33 0.00 0.00 177.00 176.53 1rrj s VAL 543 N 2.85 1.98 0.58 3.83 -7.23 -0.19 -5.00 120.40 117.22 1rrj s VAL 543 Ca 0.57 -1.54 -0.16 0.00 -1.81 0.00 0.00 61.98 59.03 1rrj s VAL 543 Cb -0.24 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1rrj s VAL 543 CO 0.19 0.00 1.05 -1.61 -0.31 0.00 0.00 175.10 174.42 1rrj s GLU 544 N -4.13 3.39 0.27 4.82 0.41 -1.26 -4.74 118.70 117.46 1rrj s GLU 544 Ca 0.37 1.18 -0.00 0.00 -0.41 0.00 0.00 54.97 56.11 1rrj s GLU 544 Cb -0.01 -2.04 0.52 0.00 -1.78 0.00 0.00 34.13 30.82 1rrj s GLU 544 CO 0.22 -0.75 1.82 -0.22 -0.49 0.00 0.00 175.26 175.83 1rrj h LYS 545 N 0.52 0.85 0.00 1.61 3.64 -1.96 -2.48 116.57 118.75 1rrj h LYS 545 Ca -0.47 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 58.79 1rrj h LYS 545 Cb 1.22 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 1rrj h LYS 545 CO 0.58 0.57 -0.33 0.00 -2.27 0.00 0.00 179.45 178.00 1rrj h ARG 546 N 0.88 0.00 -0.01 1.90 2.47 -1.99 -2.25 114.38 115.39 1rrj h ARG 546 Ca 0.47 0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 59.04 1rrj h ARG 546 Cb 0.50 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1rrj h ARG 546 CO -0.28 0.33 -0.59 0.28 0.56 0.00 0.00 179.97 180.27 1rrj h VAL 547 N 0.00 1.43 -0.48 2.04 2.07 -1.83 -2.22 116.25 117.26 1rrj h VAL 547 Ca -0.00 -2.06 0.01 0.00 0.82 0.00 0.00 66.70 65.47 1rrj h VAL 547 Cb 0.59 2.58 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 1rrj h VAL 547 CO 0.04 0.60 0.30 0.15 0.02 0.00 0.00 177.57 178.68 1rrj h PHE 548 N -0.10 0.56 -0.52 1.57 3.57 -1.42 0.63 116.94 121.24 1rrj h PHE 548 Ca -0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.37 1rrj h PHE 548 Cb 1.30 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1rrj h PHE 548 CO 0.15 0.34 0.04 0.87 -2.23 0.00 0.00 178.31 177.47 1rrj h LYS 549 N 0.60 0.84 -0.21 1.11 1.79 -1.47 -2.52 116.57 116.72 1rrj h LYS 549 Ca 0.18 -0.22 -0.13 0.00 -2.18 0.00 0.00 60.65 58.31 1rrj h LYS 549 Cb -0.03 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 1rrj h LYS 549 CO -0.06 0.82 -0.41 -0.91 -1.08 0.00 0.00 179.45 177.80 1rrj h ASN 550 N 0.79 0.52 0.59 0.86 2.35 -0.75 -3.00 115.58 116.93 1rrj h ASN 550 Ca 0.16 -0.23 -0.09 0.00 -0.55 0.00 0.00 56.30 55.59 1rrj h ASN 550 Cb 0.42 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 1rrj h ASN 550 CO 0.01 0.87 -0.44 -0.07 -1.65 0.00 0.00 177.43 176.15 1rrj h LEU 551 N 0.40 0.00 -0.92 1.61 3.38 -0.60 -2.66 115.31 116.52 1rrj h LEU 551 Ca 0.03 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1rrj h LEU 551 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1rrj h LEU 551 CO 0.08 0.44 -0.48 1.56 0.09 0.00 0.00 178.44 180.13 1rrj h GLN 552 N 0.00 0.14 0.00 1.13 4.20 -1.32 -2.68 115.11 116.59 1rrj h GLN 552 Ca -0.00 -0.08 -0.20 0.00 0.06 0.00 0.00 58.65 58.43 1rrj h GLN 552 Cb 0.86 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.62 1rrj h GLN 552 CO 0.06 0.60 -0.93 -0.07 -0.67 0.00 0.00 178.83 177.81 1rrj h LEU 553 N 0.12 0.01 -0.02 1.46 4.07 -1.46 -2.92 115.31 116.57 1rrj h LEU 553 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1rrj h LEU 553 Cb 0.89 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 1rrj h LEU 553 CO 0.07 0.94 0.00 -0.26 -1.08 0.00 0.00 178.44 178.11 1rrj h PHE 554 N 0.00 0.00 -0.01 1.13 0.04 -1.32 -3.13 116.94 113.66 1rrj h PHE 554 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1rrj h PHE 554 Cb 1.65 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.80 1rrj h PHE 554 CO 0.00 0.00 -0.72 -1.33 -0.60 0.00 0.00 178.31 175.66 1rrj n MET 555 N -2.41 0.60 -2.29 1.51 2.81 -1.02 -4.80 117.12 111.52 1rrj n MET 555 Ca 0.05 -0.49 -0.40 0.00 -1.81 0.00 0.00 57.70 55.05 1rrj n MET 555 Cb 0.44 -1.49 -0.03 0.00 -0.71 0.00 0.00 33.22 31.44 1rrj n MET 555 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1rrj s GLU 556 N -2.74 4.33 -1.59 0.03 2.56 -1.11 -3.71 118.70 116.47 1rrj s GLU 556 Ca 0.14 1.95 -0.16 0.00 0.00 0.00 0.00 54.97 56.89 1rrj s GLU 556 Cb 0.17 -2.96 0.13 0.00 2.00 0.00 0.00 34.13 33.48 1rrj s GLU 556 CO 0.71 -0.11 0.78 0.27 -0.56 0.00 0.00 175.26 176.35 1rrj n ASN 557 N 0.64 -3.72 -4.23 -1.70 6.94 -1.26 -4.99 115.26 106.93 1rrj n ASN 557 Ca 0.01 -0.85 -0.20 0.00 -0.02 0.00 0.00 54.58 53.52 1rrj n ASN 557 Cb 0.44 -3.03 -0.12 0.00 -2.36 0.00 0.00 39.78 34.71 1rrj n ASN 557 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1rrj s LYS 558 N -6.71 0.98 0.34 -3.83 1.02 -1.24 -5.16 119.74 105.15 1rrj s LYS 558 Ca 0.67 -1.11 -0.05 0.00 0.02 0.00 0.00 55.97 55.51 1rrj s LYS 558 Cb -0.36 -1.04 -0.05 0.00 -0.52 0.00 0.00 37.83 35.86 1rrj s LYS 558 CO 0.83 0.23 0.61 -0.65 -0.92 0.00 0.00 175.35 175.45 1rrj s GLN 559 N -2.06 3.62 0.60 1.68 -1.52 -1.26 -5.00 119.66 115.70 1rrj s GLN 559 Ca 0.04 0.03 0.29 0.00 -1.95 0.00 0.00 55.36 53.77 1rrj s GLN 559 Cb -0.09 -2.58 1.62 0.00 -0.22 0.00 0.00 33.01 31.74 1rrj s GLN 559 CO 0.03 0.12 2.03 -1.35 -0.25 0.00 0.00 175.29 175.87 1rrj h PRO 560 N 1.29 0.00 0.00 2.91 0.11 -1.99 -2.12 132.00 132.20 1rrj h PRO 560 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1rrj h PRO 560 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1rrj h PRO 560 CO 0.64 0.00 -0.23 0.93 -0.21 0.00 0.00 178.00 179.13 1rrj h GLU 561 N 0.00 0.00 -7.04 1.05 3.07 -1.98 -3.05 114.58 106.63 1rrj h GLU 561 Ca 0.12 0.00 -0.48 0.00 -0.50 0.00 0.00 59.36 58.50 1rrj h GLU 561 Cb 0.70 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.64 1rrj h GLU 561 CO -0.00 0.00 0.41 -0.51 -1.40 0.00 0.00 179.01 177.51 1rrj s ASP 562 N -4.89 6.35 0.22 1.42 1.11 -0.80 -4.87 116.67 115.21 1rrj s ASP 562 Ca 0.08 2.03 -0.30 0.00 0.18 0.00 0.00 52.55 54.54 1rrj s ASP 562 Cb 0.11 -2.57 -0.09 0.00 1.07 0.00 0.00 42.92 41.43 1rrj s ASP 562 CO 0.66 -0.78 1.32 -1.81 1.18 0.00 0.00 175.17 175.74 1rrj s ASP 563 N -1.78 6.86 0.11 0.27 -0.00 -1.26 -1.74 116.67 119.13 1rrj s ASP 563 Ca 0.65 2.47 -0.18 0.00 -0.00 0.00 0.00 52.55 55.49 1rrj s ASP 563 Cb -0.20 -2.62 -0.05 0.00 -0.00 0.00 0.00 42.92 40.05 1rrj s ASP 563 CO 0.24 -0.54 1.62 0.25 -0.00 0.00 0.00 175.17 176.74 1rrj h LEU 564 N 5.07 0.44 -7.35 1.23 5.85 -1.31 -3.33 115.31 115.91 1rrj h LEU 564 Ca -0.45 -0.20 -0.78 0.00 0.84 0.00 0.00 57.88 57.28 1rrj h LEU 564 Cb 1.22 -0.12 -0.30 0.00 0.37 0.00 0.00 40.66 41.83 1rrj h LEU 564 CO 0.76 0.53 0.39 0.49 -0.34 0.00 0.00 178.44 180.27 1rrj n PHE 565 N -4.69 4.46 -1.44 1.25 3.72 -1.26 -4.77 117.46 114.73 1rrj n PHE 565 Ca -0.02 -3.70 -0.31 0.00 -0.05 0.00 0.00 57.45 53.36 1rrj n PHE 565 Cb 0.17 -1.48 0.07 0.00 -0.94 0.00 0.00 39.48 37.29 1rrj n PHE 565 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1rrj s ASP 566 N 0.32 4.85 -0.19 4.37 -4.77 -1.25 -3.08 116.67 116.92 1rrj s ASP 566 Ca 0.31 1.80 0.00 0.00 -3.30 0.00 0.00 52.55 51.36 1rrj s ASP 566 Cb -0.06 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.25 1rrj s ASP 566 CO -0.05 -1.81 0.00 0.54 0.70 0.00 0.00 175.17 174.55 1rrj n ARG 567 N -3.21 -1.56 -4.08 2.11 1.74 -1.26 -4.96 116.66 105.44 1rrj n ARG 567 Ca 0.09 0.48 -0.16 0.00 -0.77 0.00 0.00 57.85 57.49 1rrj n ARG 567 Cb 0.53 -4.68 -0.15 0.00 -1.02 0.00 0.00 32.46 27.14 1rrj n ARG 567 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1rrj s LEU 568 N -0.41 1.78 0.23 0.55 2.96 -1.18 -4.96 118.68 117.66 1rrj s LEU 568 Ca 0.00 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.80 1rrj s LEU 568 Cb 0.00 -0.24 -0.03 0.00 0.50 0.00 0.00 46.19 46.42 1rrj s LEU 568 CO 0.00 0.01 0.25 0.54 -1.32 0.00 0.00 176.35 175.83 1rrj s ASN 569 N 0.21 0.19 0.51 3.68 6.03 -1.26 -4.94 114.94 119.36 1rrj s ASN 569 Ca -0.02 -1.28 0.17 0.00 -1.03 0.00 0.00 52.86 50.69 1rrj s ASN 569 Cb -0.05 0.46 1.26 0.00 -3.03 0.00 0.00 41.25 39.88 1rrj s ASN 569 CO -0.00 -0.95 2.13 0.71 -2.03 0.00 0.00 177.10 176.95 1rrj h THR 570 N 2.47 0.99 -0.44 0.54 1.35 -1.91 -2.67 112.91 113.26 1rrj h THR 570 Ca -0.32 -0.10 -0.09 0.00 -0.55 0.00 0.00 66.41 65.35 1rrj h THR 570 Cb 1.25 1.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 1rrj h THR 570 CO 0.47 0.03 -0.06 1.23 -0.25 0.00 0.00 175.52 176.93 1rrj h GLY 571 N 0.09 0.88 0.92 5.82 0.00 -1.98 -1.00 103.07 107.80 1rrj h GLY 571 Ca -0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.56 1rrj h GLY 571 CO 0.00 0.64 -0.11 -2.22 0.00 0.00 0.00 176.54 174.85 1rrj h ILE 572 N 0.65 1.29 -0.34 2.60 2.04 -1.91 -1.99 117.51 119.84 1rrj h ILE 572 Ca 0.12 -1.18 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 1rrj h ILE 572 Cb 0.58 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.04 1rrj h ILE 572 CO 0.03 0.38 0.12 0.25 0.00 0.00 0.00 178.15 178.94 1rrj h LEU 573 N 0.41 0.48 -1.13 1.44 5.85 -1.43 -2.67 115.31 118.25 1rrj h LEU 573 Ca 0.08 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1rrj h LEU 573 Cb 0.62 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1rrj h LEU 573 CO 0.04 0.54 -0.08 0.78 -0.34 0.00 0.00 178.44 179.38 1rrj h ASN 574 N 0.40 0.00 0.41 1.25 2.35 -1.18 -1.68 115.58 117.12 1rrj h ASN 574 Ca 0.11 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.69 1rrj h ASN 574 Cb 0.22 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.58 1rrj h ASN 574 CO -0.01 0.08 -0.72 0.50 -1.65 0.00 0.00 177.43 175.64 1rrj h LYS 575 N 0.00 0.26 0.02 0.81 1.63 -1.13 -2.39 116.57 115.78 1rrj h LYS 575 Ca -0.00 -0.22 -0.16 0.00 -0.85 0.00 0.00 60.65 59.42 1rrj h LYS 575 Cb 0.67 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.36 1rrj h LYS 575 CO 0.01 0.87 -0.66 1.25 -3.45 0.00 0.00 179.45 177.47 1rrj h HIS 576 N 0.18 0.61 0.00 1.91 2.76 -1.13 -3.23 115.15 116.25 1rrj h HIS 576 Ca -0.02 -0.35 -0.03 0.00 -2.20 0.00 0.00 60.37 57.77 1rrj h HIS 576 Cb 1.27 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 30.17 1rrj h HIS 576 CO 0.03 1.19 -0.13 -0.07 -1.30 0.00 0.00 177.93 177.64 1rrj h LEU 577 N -0.13 0.00 -0.99 0.26 3.38 -1.32 -1.87 115.31 114.64 1rrj h LEU 577 Ca -0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 1rrj h LEU 577 Cb 1.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 1rrj h LEU 577 CO 0.13 0.13 -0.39 -0.61 0.09 0.00 0.00 178.44 177.79 1rrj h GLN 578 N 0.00 0.00 0.00 1.13 5.75 -1.47 -2.64 115.11 117.88 1rrj h GLN 578 Ca -0.00 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.30 1rrj h GLN 578 Cb 0.27 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.79 1rrj h GLN 578 CO 0.02 0.39 -1.08 -0.44 -2.65 0.00 0.00 178.83 175.07 1rrj h ASP 579 N 0.00 0.00 0.77 -0.69 3.32 -1.36 -3.31 116.42 115.15 1rrj h ASP 579 Ca -0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 1rrj h ASP 579 Cb 0.87 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1rrj h ASP 579 CO 0.05 0.83 -0.82 -0.07 -1.72 0.00 0.00 179.24 177.50 1rrj h LEU 580 N 0.00 0.04 -7.00 1.55 3.38 -1.32 -3.46 115.31 108.51 1rrj h LEU 580 Ca -0.08 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.90 1rrj h LEU 580 Cb 1.70 -0.01 -0.25 0.00 0.09 0.00 0.00 40.66 42.19 1rrj h LEU 580 CO 0.09 0.84 0.33 -0.32 0.09 0.00 0.00 178.44 179.47 1rrj s MET 581 N -3.16 0.58 0.11 1.13 0.00 -1.01 -5.07 119.30 111.87 1rrj s MET 581 Ca -0.01 0.76 -0.31 0.00 0.00 0.00 0.00 55.69 56.14 1rrj s MET 581 Cb 0.11 0.24 -0.09 0.00 0.00 0.00 0.00 34.83 35.09 1rrj s MET 581 CO 0.80 -0.08 1.55 -1.21 0.00 0.00 0.00 175.02 176.07 1rrj s GLU 582 N 0.61 4.23 0.00 4.11 8.01 -1.25 -2.57 118.70 131.84 1rrj s GLU 582 Ca -0.01 2.26 0.00 0.00 0.01 0.00 0.00 54.97 57.23 1rrj s GLU 582 Cb -0.05 -3.36 0.00 0.00 -4.31 0.00 0.00 34.13 26.41 1rrj s GLU 582 CO -0.08 -0.62 0.00 0.41 0.01 0.00 0.00 175.26 174.99 1rrj n GLY 583 N 3.78 0.72 3.71 -1.39 0.00 -1.26 -5.01 105.19 105.73 1rrj n GLY 583 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1rrj n GLY 583 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rrj s LEU 584 N 0.00 4.34 0.39 0.99 2.96 -1.06 -5.05 118.68 121.24 1rrj s LEU 584 Ca 0.00 1.45 0.04 0.00 -0.22 0.00 0.00 54.13 55.40 1rrj s LEU 584 Cb 0.00 -3.36 -0.03 0.00 0.50 0.00 0.00 46.19 43.30 1rrj s LEU 584 CO 0.00 -0.21 0.14 0.42 -1.32 0.00 0.00 176.35 175.38 1rrj s THR 585 N 0.99 0.57 0.21 3.68 -4.23 -1.26 -3.65 115.64 111.95 1rrj s THR 585 Ca 0.45 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.89 1rrj s THR 585 Cb -0.19 -2.41 0.11 0.00 1.34 0.00 0.00 72.50 71.35 1rrj s THR 585 CO 0.23 0.00 1.71 0.00 -0.54 0.00 0.00 174.62 176.02 1rrj h ALA 586 N 1.88 0.95 0.00 3.99 0.00 -1.94 -3.03 119.26 121.11 1rrj h ALA 586 Ca -0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1rrj h ALA 586 Cb 1.27 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1rrj h ALA 586 CO 0.56 0.66 0.00 1.57 0.00 0.00 0.00 179.25 182.04 1rrj h LYS 587 N 1.02 0.00 0.00 0.00 2.10 -1.98 -2.68 116.57 115.03 1rrj h LYS 587 Ca 0.21 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.83 1rrj h LYS 587 Cb 0.41 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1rrj h LYS 587 CO 0.01 0.00 -0.13 0.28 -2.00 0.00 0.00 179.45 177.61 1rrj h VAL 588 N 0.00 0.78 -0.23 0.07 2.07 -1.94 -1.79 116.25 115.20 1rrj h VAL 588 Ca 0.00 -0.51 -0.13 0.00 0.82 0.00 0.00 66.70 66.88 1rrj h VAL 588 Cb 0.41 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 1rrj h VAL 588 CO 0.00 0.13 -0.41 -0.26 0.02 0.00 0.00 177.57 177.05 1rrj h PHE 589 N 0.00 0.66 -0.53 1.57 -1.00 -1.64 0.10 116.94 116.10 1rrj h PHE 589 Ca -0.00 -0.19 -0.11 0.00 2.81 0.00 0.00 57.97 60.47 1rrj h PHE 589 Cb 0.29 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 1rrj h PHE 589 CO 0.00 0.87 -0.11 0.00 -1.61 0.00 0.00 178.31 177.46 1rrj h ARG 590 N 0.46 1.01 -0.09 1.51 3.08 -1.48 -0.27 114.38 118.59 1rrj h ARG 590 Ca 0.04 -0.38 -0.03 0.00 0.07 0.00 0.00 59.98 59.68 1rrj h ARG 590 Cb 0.90 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1rrj h ARG 590 CO 0.08 1.07 -0.05 1.15 -1.07 0.00 0.00 179.97 181.15 1rrj h THR 591 N 0.89 1.32 0.46 2.04 2.02 -1.24 -1.90 112.91 116.50 1rrj h THR 591 Ca 0.14 -1.06 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 1rrj h THR 591 Cb 0.68 1.83 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1rrj h THR 591 CO 0.05 0.30 -0.33 0.22 0.37 0.00 0.00 175.52 176.13 1rrj h TYR 592 N -0.16 -0.86 -0.22 3.16 3.20 -0.72 -1.27 116.97 120.10 1rrj h TYR 592 Ca 0.02 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1rrj h TYR 592 Cb 0.50 0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1rrj h TYR 592 CO 0.07 -0.49 0.06 -0.91 -1.64 0.00 0.00 178.16 175.25 1rrj h ASN 593 N -0.77 0.27 0.29 -2.11 -0.26 -1.11 -0.82 115.58 111.07 1rrj h ASN 593 Ca -0.05 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.65 1rrj h ASN 593 Cb 0.65 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 1rrj h ASN 593 CO 0.02 0.28 -0.14 0.00 -1.06 0.00 0.00 177.43 176.53 1rrj h ALA 594 N 1.77 -0.39 -0.86 -0.83 0.00 -1.18 -2.79 119.26 114.98 1rrj h ALA 594 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1rrj h ALA 594 Cb 0.11 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1rrj h ALA 594 CO -0.00 -0.44 0.55 0.77 0.00 0.00 0.00 179.25 180.13 1rrj h SER 595 N -0.94 0.90 0.38 0.00 0.02 -1.12 -1.37 113.55 111.42 1rrj h SER 595 Ca -0.04 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1rrj h SER 595 Cb 0.50 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1rrj h SER 595 CO 0.06 0.61 -0.51 -0.29 -1.14 0.00 0.00 176.83 175.56 1rrj h ILE 596 N 1.05 1.36 -0.20 3.27 6.09 -1.27 -1.89 117.51 125.91 1rrj h ILE 596 Ca 0.35 -1.76 -0.19 0.00 -1.37 0.00 0.00 64.86 61.89 1rrj h ILE 596 Cb 0.05 1.89 0.00 0.00 0.47 0.00 0.00 36.82 39.23 1rrj h ILE 596 CO -0.13 0.52 -0.63 0.74 -3.07 0.00 0.00 178.15 175.58 1rrj h THR 597 N 0.12 1.30 -0.23 2.19 2.02 -1.15 -1.61 112.91 115.56 1rrj h THR 597 Ca 0.00 -1.86 -0.01 0.00 0.77 0.00 0.00 66.41 65.31 1rrj h THR 597 Cb 0.95 1.81 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1rrj h THR 597 CO 0.07 0.59 0.09 0.25 0.37 0.00 0.00 175.52 176.89 1rrj h LEU 598 N 0.53 0.31 -0.06 2.58 5.85 -1.05 -1.71 115.31 121.76 1rrj h LEU 598 Ca -0.01 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1rrj h LEU 598 Cb 1.22 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.17 1rrj h LEU 598 CO 0.13 0.40 0.04 -0.61 -0.34 0.00 0.00 178.44 178.05 1rrj h GLN 599 N 0.21 0.08 -0.33 1.25 4.15 -1.28 -1.75 115.11 117.44 1rrj h GLN 599 Ca 0.08 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.39 1rrj h GLN 599 Cb 0.18 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.84 1rrj h GLN 599 CO -0.01 0.09 -0.19 -0.56 -1.93 0.00 0.00 178.83 176.22 1rrj h GLN 600 N 0.06 0.61 0.00 1.69 3.07 -1.29 -2.53 115.11 116.72 1rrj h GLN 600 Ca 0.02 -0.22 -0.15 0.00 0.09 0.00 0.00 58.65 58.39 1rrj h GLN 600 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 27.48 27.52 1rrj h GLN 600 CO -0.00 0.77 -0.71 1.96 0.09 0.00 0.00 178.83 180.94 1rrj h GLN 601 N 0.55 0.00 -0.00 0.06 1.08 -1.18 -2.19 115.11 113.42 1rrj h GLN 601 Ca 0.09 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.13 1rrj h GLN 601 Cb 0.64 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.05 1rrj h GLN 601 CO 0.05 0.71 -0.72 -0.07 -0.95 0.00 0.00 178.83 177.84 1rrj h LEU 602 N 0.00 0.04 -0.47 1.46 3.38 -1.20 -0.67 115.31 117.85 1rrj h LEU 602 Ca -0.01 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.80 1rrj h LEU 602 Cb 1.28 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 1rrj h LEU 602 CO 0.09 0.74 -0.63 0.50 0.09 0.00 0.00 178.44 179.23 1rrj h LYS 603 N 0.02 0.00 0.00 1.13 3.64 -1.30 -3.08 116.57 116.98 1rrj h LYS 603 Ca -0.01 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.21 1rrj h LYS 603 Cb 1.27 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.06 1rrj h LYS 603 CO 0.10 0.63 -1.92 0.39 -2.27 0.00 0.00 179.45 176.38 1rrj n GLU 604 N -3.51 0.66 -0.01 1.90 1.02 -0.84 -4.56 120.64 115.31 1rrj n GLU 604 Ca -0.00 -0.02 0.10 0.00 -0.02 0.00 0.00 57.16 57.22 1rrj n GLU 604 Cb 0.69 -1.61 -0.15 0.00 -0.02 0.00 0.00 31.44 30.36 1rrj n GLU 604 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1rrj n LEU 605 N -2.59 0.19 -4.66 -4.62 4.77 -0.27 -4.95 117.00 104.87 1rrj n LEU 605 Ca -0.14 -0.10 -0.43 0.00 -0.03 0.00 0.00 56.01 55.31 1rrj n LEU 605 Cb 0.82 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.88 1rrj n LEU 605 CO 0.44 0.05 0.87 -0.89 -1.33 0.00 0.00 177.39 176.52 1rrj s THR 606 N -3.30 4.71 -0.22 -5.08 2.01 -1.16 -4.90 115.64 107.70 1rrj s THR 606 Ca -0.04 1.94 -0.12 0.00 0.31 0.00 0.00 61.69 63.78 1rrj s THR 606 Cb 0.13 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.32 1rrj s THR 606 CO 0.84 -0.16 0.22 0.00 -0.69 0.00 0.00 174.62 174.83 1rrj s ALA 607 N 3.12 3.61 0.20 7.40 0.00 -1.26 -4.99 121.76 129.84 1rrj s ALA 607 Ca 0.42 -0.76 -0.14 0.00 0.00 0.00 0.00 51.96 51.48 1rrj s ALA 607 Cb -0.15 -2.38 0.21 0.00 0.00 0.00 0.00 23.12 20.79 1rrj s ALA 607 CO 0.06 -0.16 1.64 -1.35 0.00 0.00 0.00 175.76 175.96 1rrj h PRO 608 N 7.34 0.02 0.00 0.00 0.11 -2.02 -2.84 132.00 134.61 1rrj h PRO 608 Ca -0.38 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1rrj h PRO 608 Cb 1.17 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1rrj h PRO 608 CO 0.69 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.09 1rrj n ASP 609 N -5.37 0.00 -4.80 -2.05 5.75 -1.26 -4.89 116.55 103.92 1rrj n ASP 609 Ca 0.06 -0.14 -0.35 0.00 -0.01 0.00 0.00 54.79 54.35 1rrj n ASP 609 Cb 0.30 -0.23 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 1rrj n ASP 609 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1rrj s GLU 610 N -2.46 4.09 0.84 0.11 0.41 -1.07 -5.06 118.70 115.56 1rrj s GLU 610 Ca 0.22 1.33 -0.12 0.00 -0.41 0.00 0.00 54.97 55.99 1rrj s GLU 610 Cb 0.14 -2.30 0.09 0.00 -1.78 0.00 0.00 34.13 30.28 1rrj s GLU 610 CO 0.30 -0.17 1.11 0.54 -0.49 0.00 0.00 175.26 176.55 1rrj s ASN 611 N -1.90 4.15 0.21 -0.19 6.03 -1.26 -4.81 114.94 117.17 1rrj s ASN 611 Ca 0.62 1.17 -0.10 0.00 -1.03 0.00 0.00 52.86 53.52 1rrj s ASN 611 Cb -0.16 -1.84 0.27 0.00 -3.03 0.00 0.00 41.25 36.50 1rrj s ASN 611 CO 0.20 -2.17 1.74 0.40 -2.03 0.00 0.00 177.10 175.24 1rrj h ILE 612 N -1.23 0.75 -0.49 0.54 2.04 -1.97 -2.23 117.51 114.93 1rrj h ILE 612 Ca -0.48 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1rrj h ILE 612 Cb 1.29 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1rrj h ILE 612 CO 0.60 0.07 0.30 -0.65 0.00 0.00 0.00 178.15 178.47 1rrj h PRO 613 N 0.38 0.66 -0.10 2.37 0.11 -1.98 -1.71 132.00 131.72 1rrj h PRO 613 Ca 0.30 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 66.21 1rrj h PRO 613 Cb 0.39 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1rrj h PRO 613 CO -0.32 0.46 -0.60 0.00 -0.21 0.00 0.00 178.00 177.33 1rrj h ALA 614 N 1.66 0.79 -0.05 -0.75 0.00 -1.84 -2.62 119.26 116.45 1rrj h ALA 614 Ca 0.18 -0.54 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 1rrj h ALA 614 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1rrj h ALA 614 CO -0.03 0.72 -0.67 0.87 0.00 0.00 0.00 179.25 180.14 1rrj h LYS 615 N 0.25 0.21 -0.08 0.00 1.57 -0.83 -2.43 116.57 115.25 1rrj h LYS 615 Ca -0.00 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 1rrj h LYS 615 Cb 1.12 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1rrj h LYS 615 CO 0.10 0.80 -0.43 0.82 -0.57 0.00 0.00 179.45 180.16 1rrj h ILE 616 N 0.15 1.32 -0.47 1.86 2.04 -1.20 -0.79 117.51 120.42 1rrj h ILE 616 Ca -0.01 -1.56 -0.12 0.00 1.00 0.00 0.00 64.86 64.17 1rrj h ILE 616 Cb 1.20 1.74 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 1rrj h ILE 616 CO 0.10 0.46 -0.18 0.25 0.00 0.00 0.00 178.15 178.79 1rrj h LEU 617 N 0.16 0.93 -0.76 1.44 6.46 -1.28 -0.09 115.31 122.18 1rrj h LEU 617 Ca 0.01 -0.33 -0.12 0.00 -0.12 0.00 0.00 57.88 57.33 1rrj h LEU 617 Cb 0.83 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.50 1rrj h LEU 617 CO 0.06 1.09 -0.32 0.28 -0.62 0.00 0.00 178.44 178.93 1rrj h SER 618 N 0.81 0.60 -0.09 1.25 0.02 -0.94 -1.52 113.55 113.67 1rrj h SER 618 Ca 0.12 -0.24 -0.02 0.00 -0.84 0.00 0.00 61.79 60.81 1rrj h SER 618 Cb 0.72 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 1rrj h SER 618 CO 0.06 0.88 -0.02 0.22 -1.14 0.00 0.00 176.83 176.83 1rrj h TYR 619 N 0.49 0.18 -0.05 3.45 3.20 -0.80 -2.73 116.97 120.71 1rrj h TYR 619 Ca 0.06 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 1rrj h TYR 619 Cb 0.80 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1rrj h TYR 619 CO 0.03 0.47 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.90 1rrj h ASN 620 N -0.16 0.08 0.44 -2.11 -0.26 -0.92 -1.26 115.58 111.40 1rrj h ASN 620 Ca 0.02 -0.02 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 1rrj h ASN 620 Cb 0.41 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 1rrj h ASN 620 CO 0.01 0.30 -0.62 0.03 -1.06 0.00 0.00 177.43 176.08 1rrj h ARG 621 N 0.08 0.17 -0.26 0.81 3.08 -1.24 -0.91 114.38 116.11 1rrj h ARG 621 Ca 0.01 -0.12 -0.19 0.00 0.07 0.00 0.00 59.98 59.75 1rrj h ARG 621 Cb 0.42 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1rrj h ARG 621 CO 0.03 0.74 -0.59 0.00 -1.07 0.00 0.00 179.97 179.07 1rrj h ALA 622 N 1.23 0.45 -0.05 0.04 0.00 -1.13 -2.27 119.26 117.53 1rrj h ALA 622 Ca -0.01 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1rrj h ALA 622 Cb 1.12 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1rrj h ALA 622 CO 0.09 0.68 -0.49 -0.97 0.00 0.00 0.00 179.25 178.57 1rrj h ASN 623 N 0.64 0.14 -0.56 0.00 -0.00 -1.11 -2.95 115.58 111.74 1rrj h ASN 623 Ca 0.00 -0.06 -0.09 0.00 -0.00 0.00 0.00 56.30 56.15 1rrj h ASN 623 Cb 1.21 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 39.47 1rrj h ASN 623 CO 0.13 0.61 0.01 -0.09 -0.00 0.00 0.00 177.43 178.08 1rrj h ARG 624 N 0.10 0.98 -0.01 6.67 2.43 -0.98 -1.38 114.38 122.19 1rrj h ARG 624 Ca 0.00 -0.31 -0.06 0.00 -0.81 0.00 0.00 59.98 58.81 1rrj h ARG 624 Cb 0.90 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.35 1rrj h ARG 624 CO 0.07 0.98 -0.26 0.00 -1.51 0.00 0.00 179.97 179.25 1rrj h ALA 625 N 0.97 1.55 -0.07 2.80 0.00 -1.25 -0.59 119.26 122.67 1rrj h ALA 625 Ca 0.16 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.66 1rrj h ALA 625 Cb 0.53 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rrj h ALA 625 CO 0.03 0.34 -0.60 0.28 0.00 0.00 0.00 179.25 179.29 1rrj h VAL 626 N 0.02 1.37 0.00 0.00 2.07 -1.34 -2.82 116.25 115.55 1rrj h VAL 626 Ca 0.00 -1.95 -0.08 0.00 0.82 0.00 0.00 66.70 65.50 1rrj h VAL 626 Cb 0.47 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1rrj h VAL 626 CO 0.03 0.58 -0.36 0.00 0.02 0.00 0.00 177.57 177.85 1rrj h ALA 627 N 0.43 1.39 -0.17 1.67 0.00 -0.66 -1.26 119.26 120.66 1rrj h ALA 627 Ca -0.06 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.31 1rrj h ALA 627 Cb 1.27 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1rrj h ALA 627 CO 0.12 0.45 -0.75 0.82 0.00 0.00 0.00 179.25 179.89 1rrj h ILE 628 N 0.00 1.27 -0.68 0.00 2.04 -1.17 0.10 117.51 119.07 1rrj h ILE 628 Ca -0.00 -1.94 -0.07 0.00 1.00 0.00 0.00 64.86 63.84 1rrj h ILE 628 Cb 0.64 1.93 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 1rrj h ILE 628 CO 0.05 0.62 0.14 0.25 0.00 0.00 0.00 178.15 179.21 1rrj h LEU 629 N 0.56 1.06 -0.25 1.44 6.46 -1.20 -2.70 115.31 120.68 1rrj h LEU 629 Ca -0.04 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.47 1rrj h LEU 629 Cb 1.38 -0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.03 1rrj h LEU 629 CO 0.16 1.03 -0.14 0.00 -0.62 0.00 0.00 178.44 178.87 1rrj n ASN 631 N -0.95 -5.27 -3.77 0.00 4.05 -0.53 -4.92 115.26 103.87 1rrj n ASN 631 Ca 0.13 -0.57 -0.42 0.00 0.45 0.00 0.00 54.58 54.18 1rrj n ASN 631 Cb 0.29 -5.01 0.00 0.00 1.23 0.00 0.00 39.78 36.29 1rrj n ASN 631 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 1rrj n HIS 632 N -4.79 2.94 -1.66 1.20 8.25 0.24 -4.96 115.22 116.43 1rrj n HIS 632 Ca -0.06 -2.83 -0.30 0.00 -0.26 0.00 0.00 57.72 54.27 1rrj n HIS 632 Cb 0.59 -2.03 0.07 0.00 1.12 0.00 0.00 29.99 29.73 1rrj n HIS 632 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1rrj s GLN 633 N 0.62 2.49 -0.03 -0.41 -0.21 -1.26 -1.35 119.66 119.51 1rrj s GLN 633 Ca 0.44 0.64 -0.12 0.00 0.02 0.00 0.00 55.36 56.34 1rrj s GLN 633 Cb 0.12 -1.96 0.02 0.00 1.00 0.00 0.00 33.01 32.18 1rrj s GLN 633 CO -0.02 -1.34 0.25 0.50 -2.12 0.00 0.00 175.29 172.56 1rrj s ARG 634 N -5.19 0.54 -0.07 2.91 3.52 -0.26 -4.56 118.95 115.83 1rrj s ARG 634 Ca 0.59 -0.13 -0.20 0.00 -0.13 0.00 0.00 55.73 55.86 1rrj s ARG 634 Cb -0.13 0.24 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 1rrj s ARG 634 CO 0.54 -0.13 0.57 0.00 -0.81 0.00 0.00 175.30 175.47 1rrj s ALA 635 N -1.03 3.43 -0.29 6.12 0.00 -1.26 -4.52 121.76 124.22 1rrj s ALA 635 Ca -0.11 -0.04 -0.42 0.00 0.00 0.00 0.00 51.96 51.39 1rrj s ALA 635 Cb -0.05 -2.76 -0.18 0.00 0.00 0.00 0.00 23.12 20.13 1rrj s ALA 635 CO 0.03 0.01 1.57 -2.30 0.00 0.00 0.00 175.76 175.07 1rrj n PRO 636 N 3.47 0.60 -1.04 0.00 -0.02 -1.26 -4.74 135.00 132.01 1rrj n PRO 636 Ca -0.05 0.22 -0.48 0.00 -2.02 0.00 0.00 63.50 61.16 1rrj n PRO 636 Cb 0.51 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 32.09 1rrj n PRO 636 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rrj n PRO 637 N 4.11 0.00 -0.20 0.52 -0.02 -1.26 -4.57 135.00 133.58 1rrj n PRO 637 Ca 0.26 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.70 1rrj n PRO 637 Cb 0.06 -1.19 -0.03 0.00 -0.02 0.00 0.00 33.50 32.32 1rrj n PRO 637 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1rrj n LYS 638 N 5.64 0.00 -0.36 -0.52 3.00 -1.26 0.51 118.16 125.18 1rrj n LYS 638 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.73 1rrj n LYS 638 Cb -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 35.03 34.83 1rrj n LYS 638 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1rrj n THR 639 N 0.86 0.00 0.26 3.15 -2.24 -1.26 -4.62 114.28 110.43 1rrj n THR 639 Ca 0.09 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.94 1rrj n THR 639 Cb 0.01 -0.36 0.11 0.00 -2.10 0.00 0.00 70.33 68.00 1rrj n THR 639 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1rrj n PHE 640 N -1.64 0.23 0.62 4.78 -0.00 1.96 -2.08 117.46 121.33 1rrj n PHE 640 Ca 0.00 -0.20 0.06 0.00 -0.00 0.00 0.00 57.45 57.31 1rrj n PHE 640 Cb 0.00 -0.01 0.32 0.00 -0.00 0.00 0.00 39.48 39.79 1rrj n PHE 640 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1rrj n GLU 641 N 0.79 0.23 -0.22 -4.13 -0.58 -1.11 -1.77 120.64 113.85 1rrj n GLU 641 Ca 0.11 0.12 0.04 0.00 -0.42 0.00 0.00 57.16 57.01 1rrj n GLU 641 Cb 0.40 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.91 1rrj n GLU 641 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1rrj n LYS 642 N -1.20 1.98 -0.02 3.49 5.02 -0.88 -3.45 118.16 123.09 1rrj n LYS 642 Ca 0.07 -1.13 0.11 0.00 -2.02 0.00 0.00 58.31 55.33 1rrj n LYS 642 Cb 0.08 -1.42 0.55 0.00 -0.02 0.00 0.00 35.03 34.22 1rrj n LYS 642 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1rrj n SER 643 N 0.33 0.61 0.13 4.39 3.41 -0.73 -2.58 113.62 119.18 1rrj n SER 643 Ca 0.10 -1.45 0.12 0.00 -0.26 0.00 0.00 58.87 57.38 1rrj n SER 643 Cb 0.38 -0.03 0.12 0.00 -0.26 0.00 0.00 64.21 64.42 1rrj n SER 643 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1rrj h MET 644 N 0.85 0.00 0.06 4.33 -1.53 -1.83 -3.06 114.93 113.74 1rrj h MET 644 Ca 0.00 0.00 -0.20 0.00 -3.44 0.00 0.00 59.70 56.06 1rrj h MET 644 Cb 0.18 0.00 0.02 0.00 -0.55 0.00 0.00 31.60 31.25 1rrj h MET 644 CO 0.00 0.00 -0.83 0.52 0.14 0.00 0.00 176.91 176.74 1rrj h MET 645 N 0.00 0.46 -0.56 0.39 2.07 -1.79 -2.84 114.93 112.66 1rrj h MET 645 Ca 0.00 -0.57 -0.04 0.00 -2.07 0.00 0.00 59.70 57.02 1rrj h MET 645 Cb 0.92 0.18 -0.03 0.00 -1.87 0.00 0.00 31.60 30.80 1rrj h MET 645 CO 0.00 1.22 0.18 -0.91 1.07 0.00 0.00 176.91 178.47 1rrj h ASN 646 N -0.04 0.76 0.04 1.22 2.35 -1.70 -1.81 115.58 116.41 1rrj h ASN 646 Ca -0.12 -0.12 -0.21 0.00 -0.55 0.00 0.00 56.30 55.30 1rrj h ASN 646 Cb 1.56 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 39.74 1rrj h ASN 646 CO 0.16 0.72 -0.79 -0.07 -1.65 0.00 0.00 177.43 175.80 1rrj h LEU 647 N 0.81 0.75 -1.22 1.61 3.38 -1.62 -3.00 115.31 116.03 1rrj h LEU 647 Ca 0.19 -0.51 -0.08 0.00 0.09 0.00 0.00 57.88 57.57 1rrj h LEU 647 Cb 0.23 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1rrj h LEU 647 CO -0.01 1.29 -0.37 1.56 0.09 0.00 0.00 178.44 181.00 1rrj h GLN 648 N 0.42 0.00 0.05 1.13 1.08 -1.23 -1.76 115.11 114.80 1rrj h GLN 648 Ca -0.05 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 56.92 1rrj h GLN 648 Cb 1.41 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.83 1rrj h GLN 648 CO 0.15 0.37 -1.03 1.79 -0.95 0.00 0.00 178.83 179.16 1rrj h THR 649 N 0.00 1.51 -0.02 -0.54 1.35 -1.36 -2.07 112.91 111.77 1rrj h THR 649 Ca -0.00 -2.84 -0.13 0.00 -0.55 0.00 0.00 66.41 62.89 1rrj h THR 649 Cb 0.71 2.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.79 1rrj h THR 649 CO 0.05 0.83 -0.57 0.11 -0.25 0.00 0.00 175.52 175.68 1rrj h LYS 650 N 0.11 0.08 -0.18 4.72 1.57 -1.36 -1.15 116.57 120.35 1rrj h LYS 650 Ca -0.08 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1rrj h LYS 650 Cb 1.71 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1rrj h LYS 650 CO 0.16 0.63 -0.39 0.82 -0.57 0.00 0.00 179.45 180.10 1rrj h ILE 651 N 0.06 1.34 0.00 1.86 2.04 -1.30 -1.95 117.51 119.56 1rrj h ILE 651 Ca -0.00 -1.63 -0.07 0.00 1.00 0.00 0.00 64.86 64.15 1rrj h ILE 651 Cb 1.03 1.91 -0.01 0.00 -0.74 0.00 0.00 36.82 39.02 1rrj h ILE 651 CO 0.08 0.50 -0.34 0.44 0.00 0.00 0.00 178.15 178.83 1rrj h ASP 652 N 0.25 0.00 0.71 1.72 3.32 -1.23 -0.03 116.42 121.16 1rrj h ASP 652 Ca 0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 1rrj h ASP 652 Cb 0.99 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1rrj h ASP 652 CO 0.09 0.34 -0.92 0.00 -1.72 0.00 0.00 179.24 177.02 1rrj h ALA 653 N 1.66 0.48 0.01 3.45 0.00 -1.15 -2.93 119.26 120.78 1rrj h ALA 653 Ca -0.00 -0.78 -0.19 0.00 0.00 0.00 0.00 54.91 53.94 1rrj h ALA 653 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1rrj h ALA 653 CO 0.04 1.00 -0.87 -0.22 0.00 0.00 0.00 179.25 179.21 1rrj h LYS 654 N 0.06 0.12 0.00 0.00 1.63 -0.83 -2.97 116.57 114.59 1rrj h LYS 654 Ca -0.04 -0.13 -0.01 0.00 -0.85 0.00 0.00 60.65 59.61 1rrj h LYS 654 Cb 1.58 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 33.25 1rrj h LYS 654 CO 0.13 0.91 -0.06 0.87 -3.45 0.00 0.00 179.45 177.85 1rrj h LYS 655 N 0.06 0.00 0.03 1.90 1.57 -0.96 -1.93 116.57 117.24 1rrj h LYS 655 Ca -0.03 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.60 1rrj h LYS 655 Cb 1.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.83 1rrj h LYS 655 CO 0.13 0.06 -0.58 0.93 -0.57 0.00 0.00 179.45 179.42 1rrj h GLU 656 N 0.00 0.34 -0.75 3.15 4.39 -1.36 -2.53 114.58 117.82 1rrj h GLU 656 Ca -0.00 -0.41 -0.05 0.00 0.34 0.00 0.00 59.36 59.24 1rrj h GLU 656 Cb 0.45 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1rrj h GLU 656 CO 0.01 1.10 0.26 1.96 -1.16 0.00 0.00 179.01 181.18 1rrj h GLN 657 N -0.23 1.15 -0.42 2.33 4.20 -1.33 -1.47 115.11 119.35 1rrj h GLN 657 Ca -0.08 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.30 1rrj h GLN 657 Cb 1.32 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1rrj h GLN 657 CO 0.11 0.96 -0.15 1.25 -0.67 0.00 0.00 178.83 180.34 1rrj h LEU 658 N 1.10 0.85 -1.38 1.46 5.85 -1.45 -1.11 115.31 120.64 1rrj h LEU 658 Ca 0.25 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1rrj h LEU 658 Cb 0.27 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1rrj h LEU 658 CO -0.01 1.04 -0.30 0.00 -0.34 0.00 0.00 178.44 178.83 1rrj h ALA 659 N 0.84 1.30 0.01 1.25 0.00 -1.25 -0.78 119.26 120.62 1rrj h ALA 659 Ca 0.10 -0.27 -0.24 0.00 0.00 0.00 0.00 54.91 54.50 1rrj h ALA 659 Cb 0.69 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1rrj h ALA 659 CO 0.05 0.37 -0.98 -0.44 0.00 0.00 0.00 179.25 178.25 1rrj h ASP 660 N 0.00 0.63 0.04 0.00 3.32 -1.00 -3.07 116.42 116.33 1rrj h ASP 660 Ca -0.00 -0.51 -0.13 0.00 0.02 0.00 0.00 57.03 56.41 1rrj h ASP 660 Cb 0.61 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1rrj h ASP 660 CO 0.04 1.31 -0.41 0.00 -1.72 0.00 0.00 179.24 178.46 1rrj h ALA 661 N 0.64 0.91 0.00 3.45 0.00 -0.71 -2.66 119.26 120.90 1rrj h ALA 661 Ca -0.10 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 1rrj h ALA 661 Cb 1.63 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1rrj h ALA 661 CO 0.18 0.64 -0.31 0.00 0.00 0.00 0.00 179.25 179.75 1rrj h ARG 662 N 0.39 0.00 0.02 0.00 3.08 -1.19 -1.93 114.38 114.75 1rrj h ARG 662 Ca 0.03 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.88 1rrj h ARG 662 Cb 0.89 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 1rrj h ARG 662 CO 0.08 0.31 -0.94 0.00 -1.07 0.00 0.00 179.97 178.35 1rrj h ARG 663 N 0.00 0.12 -0.35 0.04 3.08 -1.42 -1.93 114.38 113.92 1rrj h ARG 663 Ca -0.00 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 1rrj h ARG 663 Cb 0.76 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1rrj h ARG 663 CO 0.04 0.97 -0.39 -0.44 -1.07 0.00 0.00 179.97 179.08 1rrj h ASP 664 N 0.05 0.90 0.29 7.04 3.32 -1.11 -2.14 116.42 124.78 1rrj h ASP 664 Ca -0.04 -0.41 -0.17 0.00 0.02 0.00 0.00 57.03 56.43 1rrj h ASP 664 Cb 1.62 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 1rrj h ASP 664 CO 0.14 1.18 -0.66 0.25 -1.72 0.00 0.00 179.24 178.42 1rrj h LEU 665 N 0.69 0.40 -0.13 1.55 5.85 -1.38 -1.89 115.31 120.41 1rrj h LEU 665 Ca 0.06 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1rrj h LEU 665 Cb 0.96 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1rrj h LEU 665 CO 0.09 0.95 0.05 0.50 -0.34 0.00 0.00 178.44 179.70 1rrj h LYS 666 N 0.25 0.19 0.00 1.25 1.63 -1.20 -1.35 116.57 117.33 1rrj h LYS 666 Ca -0.02 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1rrj h LYS 666 Cb 1.21 -0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1rrj h LYS 666 CO 0.11 0.27 -0.09 0.66 -3.45 0.00 0.00 179.45 176.96 1rrj h SER 667 N 0.06 0.00 0.59 4.20 4.64 -1.40 -2.23 113.55 119.41 1rrj h SER 667 Ca 0.04 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.17 1rrj h SER 667 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1rrj h SER 667 CO -0.00 0.09 -0.86 0.00 -0.87 0.00 0.00 176.83 175.18 1rrj h ALA 668 N 1.91 0.54 0.00 5.18 0.00 -1.14 -1.91 119.26 123.84 1rrj h ALA 668 Ca -0.00 -0.72 -0.18 0.00 0.00 0.00 0.00 54.91 54.02 1rrj h ALA 668 Cb 0.87 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1rrj h ALA 668 CO 0.01 0.92 -0.84 0.87 0.00 0.00 0.00 179.25 180.21 1rrj h LYS 669 N 0.10 0.00 0.00 0.00 1.57 -1.04 -2.59 116.57 114.61 1rrj h LYS 669 Ca -0.04 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.59 1rrj h LYS 669 Cb 1.48 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.77 1rrj h LYS 669 CO 0.13 0.84 -0.72 0.00 -0.57 0.00 0.00 179.45 179.13 1rrj h ALA 670 N 1.16 0.62 0.00 3.86 0.00 -1.36 -3.05 119.26 120.49 1rrj h ALA 670 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1rrj h ALA 670 Cb 1.49 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1rrj h ALA 670 CO 0.11 0.90 -0.26 0.22 0.00 0.00 0.00 179.25 180.22 1rrj h ASP 671 N 0.00 0.00 1.19 0.00 3.58 -1.32 -3.17 116.42 116.70 1rrj h ASP 671 Ca -0.01 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.38 1rrj h ASP 671 Cb 1.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.49 1rrj h ASP 671 CO 0.09 0.03 -0.41 0.00 -2.88 0.00 0.00 179.24 176.08 1rrj h ALA 672 N 2.38 0.75 0.00 -0.78 0.00 -1.35 -3.34 119.26 116.91 1rrj h ALA 672 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1rrj h ALA 672 Cb 0.81 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1rrj h ALA 672 CO 0.00 0.00 -0.13 0.87 0.00 0.00 0.00 179.25 179.99 1rrj h LYS 673 N 0.00 0.00 -6.16 0.00 1.79 -1.51 -3.36 116.57 107.33 1rrj h LYS 673 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 1rrj h LYS 673 Cb 0.80 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.38 1rrj h LYS 673 CO 0.00 0.65 0.80 0.14 -1.08 0.00 0.00 179.45 179.95 1rrj s VAL 674 N -2.03 4.62 -0.52 0.50 -7.23 -1.23 -3.97 120.40 110.53 1rrj s VAL 674 Ca -0.14 1.87 -0.05 0.00 -1.81 0.00 0.00 61.98 61.85 1rrj s VAL 674 Cb -0.01 -4.34 0.01 0.00 0.56 0.00 0.00 36.38 32.59 1rrj s VAL 674 CO 0.45 -0.31 0.55 0.80 -0.31 0.00 0.00 175.10 176.28 1rrj n MET 675 N 6.54 -1.41 -2.30 4.82 0.00 -1.26 -4.82 117.12 118.68 1rrj n MET 675 Ca 0.12 1.52 -0.43 0.00 -0.00 0.00 0.00 57.70 58.91 1rrj n MET 675 Cb 0.47 -5.03 -0.02 0.00 0.00 0.00 0.00 33.22 28.64 1rrj n MET 675 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 1rrj s LYS 676 N -2.77 3.47 0.12 2.12 2.47 -1.25 -4.82 119.74 119.08 1rrj s LYS 676 Ca 0.07 0.91 -0.04 0.00 -1.56 0.00 0.00 55.97 55.35 1rrj s LYS 676 Cb -0.02 -4.07 -0.03 0.00 -1.46 0.00 0.00 37.83 32.25 1rrj s LYS 676 CO 0.63 -1.69 0.12 0.16 0.16 0.00 0.00 175.35 174.73 1rrj s ASP 677 N 4.40 0.24 0.00 1.43 -4.77 -1.26 -5.06 116.67 111.65 1rrj s ASP 677 Ca 0.62 -1.00 0.11 0.00 -3.30 0.00 0.00 52.55 48.98 1rrj s ASP 677 Cb -0.14 0.32 0.65 0.00 -1.09 0.00 0.00 42.92 42.66 1rrj s ASP 677 CO 0.31 -0.75 1.12 0.00 0.70 0.00 0.00 175.17 176.56 1rrj n ALA 678 N -0.09 2.14 -0.10 2.11 0.00 -1.26 -2.64 120.51 120.68 1rrj n ALA 678 Ca -0.09 -0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 1rrj n ALA 678 Cb 0.63 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.76 1rrj n ALA 678 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1rrj n LYS 679 N -0.80 0.91 0.12 0.00 0.00 -1.26 -4.06 118.16 113.08 1rrj n LYS 679 Ca 0.08 0.02 0.07 0.00 0.00 0.00 0.00 58.31 58.48 1rrj n LYS 679 Cb 0.04 -1.47 0.03 0.00 0.00 0.00 0.00 35.03 33.62 1rrj n LYS 679 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1rrj h THR 680 N 0.00 0.34 0.00 3.15 2.02 -1.88 -3.25 112.91 113.28 1rrj h THR 680 Ca -0.51 -1.54 -0.14 0.00 0.77 0.00 0.00 66.41 64.99 1rrj h THR 680 Cb 2.07 1.98 -0.02 0.00 -1.74 0.00 0.00 68.15 70.44 1rrj h THR 680 CO 0.01 0.19 -0.68 0.50 0.37 0.00 0.00 175.52 175.91 1rrj h LYS 681 N 0.00 0.00 0.00 6.66 3.64 -1.71 -3.00 116.57 122.16 1rrj h LYS 681 Ca -0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1rrj h LYS 681 Cb 1.24 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1rrj h LYS 681 CO 0.03 0.68 -0.07 0.87 -2.27 0.00 0.00 179.45 178.69 1rrj h LYS 682 N 0.00 0.00 0.13 1.90 1.79 -1.70 -2.93 116.57 115.76 1rrj h LYS 682 Ca -0.01 0.00 -0.28 0.00 -2.18 0.00 0.00 60.65 58.18 1rrj h LYS 682 Cb 1.30 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.95 1rrj h LYS 682 CO 0.09 0.00 -1.30 0.28 -1.08 0.00 0.00 179.45 177.44 1rrj h VAL 683 N 0.00 1.43 -0.30 0.50 2.07 -1.57 -3.01 116.25 115.37 1rrj h VAL 683 Ca 0.00 -3.01 -0.09 0.00 0.82 0.00 0.00 66.70 64.42 1rrj h VAL 683 Cb 0.82 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.49 1rrj h VAL 683 CO 0.00 0.88 -0.17 0.58 0.02 0.00 0.00 177.57 178.87 1rrj h VAL 684 N 0.07 1.25 -0.25 2.57 2.07 -1.47 -1.80 116.25 118.70 1rrj h VAL 684 Ca -0.16 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 1rrj h VAL 684 Cb 1.99 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.95 1rrj h VAL 684 CO 0.20 0.38 0.02 -0.08 0.02 0.00 0.00 177.57 178.10 1rrj h GLU 685 N 0.50 0.43 0.00 1.57 4.22 -1.55 -1.24 114.58 118.52 1rrj h GLU 685 Ca 0.08 -0.13 -0.08 0.00 0.08 0.00 0.00 59.36 59.31 1rrj h GLU 685 Cb 0.59 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1rrj h GLU 685 CO 0.04 0.59 -0.40 0.66 -2.18 0.00 0.00 179.01 177.72 1rrj h SER 686 N 0.22 0.00 1.10 1.04 4.64 -1.37 -2.20 113.55 116.98 1rrj h SER 686 Ca 0.07 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.21 1rrj h SER 686 Cb 0.38 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.44 1rrj h SER 686 CO 0.01 0.40 -0.91 0.11 -0.87 0.00 0.00 176.83 175.57 1rrj h LYS 687 N 0.00 0.00 -0.14 4.77 1.79 -1.21 -2.71 116.57 119.07 1rrj h LYS 687 Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1rrj h LYS 687 Cb 0.83 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.48 1rrj h LYS 687 CO 0.05 0.87 -0.68 -0.22 -1.08 0.00 0.00 179.45 178.39 1rrj h LYS 688 N 0.00 0.59 0.00 3.15 3.64 -0.99 -2.26 116.57 120.70 1rrj h LYS 688 Ca -0.02 -0.45 -0.08 0.00 -1.27 0.00 0.00 60.65 58.84 1rrj h LYS 688 Cb 1.69 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.58 1rrj h LYS 688 CO 0.11 1.07 -0.37 0.87 -2.27 0.00 0.00 179.45 178.86 1rrj h LYS 689 N 0.42 0.00 -0.00 1.90 1.79 -1.44 -1.32 116.57 117.92 1rrj h LYS 689 Ca -0.02 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.26 1rrj h LYS 689 Cb 1.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 1rrj h LYS 689 CO 0.13 0.37 -0.85 0.00 -1.08 0.00 0.00 179.45 178.03 1rrj h ALA 690 N 1.63 0.56 -0.01 3.86 0.00 -1.28 -1.57 119.26 122.44 1rrj h ALA 690 Ca -0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 54.91 53.96 1rrj h ALA 690 Cb 0.91 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.63 1rrj h ALA 690 CO 0.05 0.91 -0.95 0.28 0.00 0.00 0.00 179.25 179.54 1rrj h VAL 691 N 0.10 1.35 -0.49 0.00 2.07 -1.16 -2.96 116.25 115.16 1rrj h VAL 691 Ca -0.04 -2.33 -0.05 0.00 0.82 0.00 0.00 66.70 65.10 1rrj h VAL 691 Cb 1.46 2.36 -0.02 0.00 -1.52 0.00 0.00 31.29 33.57 1rrj h VAL 691 CO 0.13 0.71 0.10 1.56 0.02 0.00 0.00 177.57 180.08 1rrj h GLN 692 N 0.31 0.79 -0.21 1.57 4.20 -1.17 -0.82 115.11 119.79 1rrj h GLN 692 Ca -0.09 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.32 1rrj h GLN 692 Cb 1.59 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 29.26 1rrj h GLN 692 CO 0.17 0.78 -0.28 0.00 -0.67 0.00 0.00 178.83 178.84 1rrj h ARG 693 N 0.67 0.40 0.00 1.46 3.08 -1.35 -2.37 114.38 116.28 1rrj h ARG 693 Ca 0.15 -0.15 -0.19 0.00 0.07 0.00 0.00 59.98 59.86 1rrj h ARG 693 Cb 0.36 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1rrj h ARG 693 CO 0.01 0.65 -0.90 -0.07 -1.07 0.00 0.00 179.97 178.59 1rrj h LEU 694 N 0.35 0.00 -0.54 3.04 3.38 -1.35 -2.79 115.31 117.40 1rrj h LEU 694 Ca 0.05 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1rrj h LEU 694 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1rrj h LEU 694 CO 0.05 0.90 -0.46 -0.33 0.09 0.00 0.00 178.44 178.69 1rrj h GLU 695 N 0.00 0.67 -0.28 1.13 5.08 -0.98 -1.86 114.58 118.33 1rrj h GLU 695 Ca -0.01 -0.37 -0.16 0.00 -1.00 0.00 0.00 59.36 57.82 1rrj h GLU 695 Cb 1.62 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.88 1rrj h GLU 695 CO 0.12 0.98 -0.46 0.93 -1.00 0.00 0.00 179.01 179.58 1rrj h GLU 696 N 0.53 0.75 -0.46 2.33 5.08 -1.46 -1.89 114.58 119.45 1rrj h GLU 696 Ca 0.03 -0.42 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 1rrj h GLU 696 Cb 1.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.26 1rrj h GLU 696 CO 0.09 1.05 0.05 1.96 -1.00 0.00 0.00 179.01 181.17 1rrj h GLN 697 N 0.60 0.78 -0.53 2.33 4.20 -1.37 -1.85 115.11 119.27 1rrj h GLN 697 Ca 0.03 -0.22 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 1rrj h GLN 697 Cb 1.03 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.70 1rrj h GLN 697 CO 0.10 0.81 -0.01 1.25 -0.67 0.00 0.00 178.83 180.31 1rrj h LEU 698 N 0.64 0.93 -1.02 1.46 5.85 -1.33 -2.24 115.31 119.60 1rrj h LEU 698 Ca 0.14 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1rrj h LEU 698 Cb 0.42 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1rrj h LEU 698 CO 0.01 1.02 0.66 0.24 -0.34 0.00 0.00 178.44 180.03 1rrj h MET 699 N 0.82 1.28 -0.39 1.25 2.86 -1.18 -0.21 114.93 119.36 1rrj h MET 699 Ca 0.15 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 1rrj h MET 699 Cb 0.55 -0.29 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1rrj h MET 699 CO 0.03 0.85 -0.07 -0.22 1.06 0.00 0.00 176.91 178.56 1rrj h LYS 700 N 1.32 0.73 -0.44 1.72 3.64 -1.06 -1.74 116.57 120.74 1rrj h LYS 700 Ca 0.38 -0.27 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 1rrj h LYS 700 Cb -0.10 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1rrj h LYS 700 CO -0.09 0.86 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.69 1rrj h LEU 701 N 0.54 0.87 -0.73 5.20 3.38 -0.87 -1.83 115.31 121.87 1rrj h LEU 701 Ca 0.10 -0.31 -0.14 0.00 0.09 0.00 0.00 57.88 57.63 1rrj h LEU 701 Cb 0.58 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1rrj h LEU 701 CO 0.03 1.05 -0.57 -0.33 0.09 0.00 0.00 178.44 178.71 1rrj h GLU 702 N 0.75 0.19 -0.28 1.13 5.08 -0.98 -1.78 114.58 118.69 1rrj h GLU 702 Ca 0.11 -0.12 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 1rrj h GLU 702 Cb 0.73 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1rrj h GLU 702 CO 0.06 0.71 -0.50 0.28 -1.00 0.00 0.00 179.01 178.55 1rrj h VAL 703 N 0.15 1.29 -0.18 3.13 2.07 -1.17 -2.46 116.25 119.07 1rrj h VAL 703 Ca -0.00 -1.70 -0.14 0.00 0.82 0.00 0.00 66.70 65.68 1rrj h VAL 703 Cb 1.05 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 1rrj h VAL 703 CO 0.09 0.55 -0.46 1.56 0.02 0.00 0.00 177.57 179.33 1rrj h GLN 704 N 0.61 0.47 -0.52 1.57 4.20 -1.21 -2.01 115.11 118.23 1rrj h GLN 704 Ca 0.02 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.35 1rrj h GLN 704 Cb 1.09 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 1rrj h GLN 704 CO 0.11 0.83 -0.17 0.00 -0.67 0.00 0.00 178.83 178.93 1rrj h ALA 705 N 1.13 0.72 -0.38 3.87 0.00 -1.25 -2.73 119.26 120.62 1rrj h ALA 705 Ca 0.02 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 1rrj h ALA 705 Cb 0.95 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1rrj h ALA 705 CO 0.08 0.68 -0.29 1.15 0.00 0.00 0.00 179.25 180.87 1rrj h THR 706 N 0.89 1.28 -0.51 0.00 2.02 -1.39 -2.70 112.91 112.50 1rrj h THR 706 Ca 0.12 -1.45 0.06 0.00 0.77 0.00 0.00 66.41 65.91 1rrj h THR 706 Cb 0.75 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.49 1rrj h THR 706 CO 0.06 0.48 0.23 -0.78 0.37 0.00 0.00 175.52 175.88 1rrj h ASP 707 N 0.66 0.29 -0.05 4.18 -0.00 -1.30 -2.04 116.42 118.16 1rrj h ASP 707 Ca 0.07 0.04 -0.13 0.00 -0.00 0.00 0.00 57.03 57.01 1rrj h ASP 707 Cb 0.87 -0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.18 1rrj h ASP 707 CO 0.08 0.20 -0.41 0.03 -0.00 0.00 0.00 179.24 179.14 1rrj h ARG 708 N 0.44 0.57 -0.28 0.28 3.08 -1.47 -2.80 114.38 114.21 1rrj h ARG 708 Ca 0.24 -0.29 -0.10 0.00 0.07 0.00 0.00 59.98 59.89 1rrj h ARG 708 Cb 0.20 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1rrj h ARG 708 CO -0.20 0.88 -0.22 0.93 -1.07 0.00 0.00 179.97 180.29 1rrj h GLU 709 N 0.47 0.63 0.00 0.04 4.39 -1.18 -2.85 114.58 116.08 1rrj h GLU 709 Ca 0.04 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1rrj h GLU 709 Cb 0.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.56 1rrj h GLU 709 CO 0.08 0.91 0.00 0.93 -1.16 0.00 0.00 179.01 179.77 1rrj h GLU 710 N 0.37 0.00 -0.56 2.33 5.08 -1.43 -3.07 114.58 117.28 1rrj h GLU 710 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1rrj h GLU 710 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1rrj h GLU 710 CO 0.06 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.36 1rrj n ASN 711 N -2.90 4.68 0.02 1.42 5.15 -1.06 -4.66 115.26 117.91 1rrj n ASN 711 Ca 0.02 -2.57 -0.10 0.00 -0.60 0.00 0.00 54.58 51.33 1rrj n ASN 711 Cb 0.38 -0.57 -0.05 0.00 -0.53 0.00 0.00 39.78 39.02 1rrj n ASN 711 CO 0.00 0.00 0.00 0.50 1.40 0.00 0.00 177.26 179.16 1rrj h LYS 712 N 3.61 -0.10 -0.33 1.20 3.64 -1.41 -3.13 116.57 120.06 1rrj h LYS 712 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1rrj h LYS 712 Cb 1.49 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1rrj h LYS 712 CO 0.26 -0.07 0.00 1.04 -2.27 0.00 0.00 179.45 178.41 1rrj n GLN 713 N -5.21 3.21 -5.16 1.90 6.02 -1.26 -4.28 117.38 112.61 1rrj n GLN 713 Ca -0.05 -2.79 -0.32 0.00 -0.01 0.00 0.00 57.00 53.83 1rrj n GLN 713 Cb 0.13 -1.83 -0.16 0.00 1.02 0.00 0.00 30.24 29.40 1rrj n GLN 713 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1rrj s ILE 714 N -2.56 2.27 -0.29 5.09 -1.09 -1.19 -1.10 121.20 122.34 1rrj s ILE 714 Ca 0.42 -0.98 -0.07 0.00 -2.23 0.00 0.00 60.65 57.80 1rrj s ILE 714 Cb 0.32 -1.86 0.00 0.00 -1.58 0.00 0.00 42.46 39.35 1rrj s ILE 714 CO 0.11 0.56 0.08 0.00 -1.23 0.00 0.00 174.94 174.47 1rrj s ALA 715 N -0.05 3.08 -0.06 9.38 0.00 -0.46 -4.83 121.76 128.81 1rrj s ALA 715 Ca -0.06 -1.41 0.13 0.00 0.00 0.00 0.00 51.96 50.62 1rrj s ALA 715 Cb -0.15 -2.14 -0.15 0.00 0.00 0.00 0.00 23.12 20.68 1rrj s ALA 715 CO 0.05 -0.87 0.95 -0.07 0.00 0.00 0.00 175.76 175.82 1rrj h LEU 716 N 8.24 0.00 -0.68 0.00 3.38 -1.94 -3.42 115.31 120.89 1rrj h LEU 716 Ca -0.32 0.00 0.14 0.00 0.09 0.00 0.00 57.88 57.78 1rrj h LEU 716 Cb 1.13 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.75 1rrj h LEU 716 CO 0.60 0.77 -0.17 1.23 0.09 0.00 0.00 178.44 180.96 1rrj h GLY 717 N 3.48 0.49 0.95 0.83 0.00 -1.97 -2.70 103.07 104.15 1rrj h GLY 717 Ca -0.15 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1rrj h GLY 717 CO 0.07 -0.26 0.19 -0.84 0.00 0.00 0.00 176.54 175.70 1rrj h THR 718 N -0.00 1.19 -0.41 4.70 2.02 -1.99 -2.20 112.91 116.22 1rrj h THR 718 Ca 0.33 -0.55 -0.15 0.00 0.77 0.00 0.00 66.41 66.81 1rrj h THR 718 Cb 0.50 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1rrj h THR 718 CO -0.71 0.21 -0.33 0.77 0.37 0.00 0.00 175.52 175.83 1rrj h SER 719 N 0.53 0.98 -0.68 4.18 4.64 -1.84 -0.03 113.55 121.33 1rrj h SER 719 Ca 0.14 -0.42 0.05 0.00 -0.47 0.00 0.00 61.79 61.09 1rrj h SER 719 Cb 0.15 -0.27 -0.05 0.00 -0.31 0.00 0.00 62.40 61.91 1rrj h SER 719 CO -0.02 1.22 0.39 0.50 -0.87 0.00 0.00 176.83 178.05 1rrj h LYS 720 N 0.78 0.71 0.00 4.77 3.64 -1.34 -2.56 116.57 122.57 1rrj h LYS 720 Ca 0.08 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1rrj h LYS 720 Cb 0.92 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 1rrj h LYS 720 CO 0.09 0.47 -1.34 1.28 -2.27 0.00 0.00 179.45 177.68 1rrj n LEU 721 N -4.75 0.51 -0.83 5.20 4.32 -0.84 -4.45 117.00 116.15 1rrj n LEU 721 Ca 0.08 0.12 0.05 0.00 -0.02 0.00 0.00 56.01 56.25 1rrj n LEU 721 Cb 0.16 -0.05 0.13 0.00 -1.62 0.00 0.00 43.42 42.04 1rrj n LEU 721 CO 0.30 -0.06 0.28 -1.20 -1.22 0.00 0.00 177.39 175.49 1rrj n SER 722 N -2.34 1.45 0.00 -1.43 7.64 -0.03 -5.10 113.62 113.82 1rrj n SER 722 Ca -0.01 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.74 1rrj n SER 722 Cb 0.52 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1rrj n SER 722 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1rrj n LEU 724 N -0.58 0.00 -4.57 -3.43 4.77 -0.98 -5.01 117.00 107.21 1rrj n LEU 724 Ca 0.14 0.00 -0.48 0.00 -0.03 0.00 0.00 56.01 55.63 1rrj n LEU 724 Cb 0.83 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.87 1rrj n LEU 724 CO -0.03 0.00 1.70 -0.67 -1.33 0.00 0.00 177.39 177.06 1rrj n ASP 725 N 0.00 2.87 0.32 -1.43 -0.08 -1.26 -4.82 116.55 112.15 1rrj n ASP 725 Ca 0.00 0.56 0.20 0.00 -1.51 0.00 0.00 54.79 54.04 1rrj n ASP 725 Cb 0.00 -1.37 1.07 0.00 2.34 0.00 0.00 41.12 43.16 1rrj n ASP 725 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1rrj h PRO 726 N 11.90 0.00 0.00 -0.67 0.13 -1.99 -2.11 132.00 139.26 1rrj h PRO 726 Ca -0.38 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.68 1rrj h PRO 726 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1rrj h PRO 726 CO 0.98 0.00 -0.32 0.00 -0.23 0.00 0.00 178.00 178.43 1rrj h ARG 727 N 0.00 0.00 -0.47 0.86 3.08 -1.87 -0.39 114.38 115.58 1rrj h ARG 727 Ca 0.01 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1rrj h ARG 727 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1rrj h ARG 727 CO -0.00 0.32 -0.04 0.82 -1.07 0.00 0.00 179.97 180.00 1rrj h ILE 728 N 0.00 1.25 -0.00 2.04 2.04 -1.74 0.10 117.51 121.20 1rrj h ILE 728 Ca -0.00 -1.09 -0.14 0.00 1.00 0.00 0.00 64.86 64.64 1rrj h ILE 728 Cb 0.63 0.93 0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1rrj h ILE 728 CO 0.04 0.38 -0.53 0.74 0.00 0.00 0.00 178.15 178.78 1rrj h THR 729 N 0.75 1.45 -0.32 -0.27 2.02 -1.55 -2.67 112.91 112.33 1rrj h THR 729 Ca 0.14 -2.05 0.01 0.00 0.77 0.00 0.00 66.41 65.28 1rrj h THR 729 Cb 0.52 2.64 -0.02 0.00 -1.74 0.00 0.00 68.15 69.54 1rrj h THR 729 CO 0.03 0.59 0.19 0.58 0.37 0.00 0.00 175.52 177.27 1rrj h VAL 730 N -0.19 1.04 -0.81 3.16 2.07 -0.88 -0.62 116.25 120.01 1rrj h VAL 730 Ca -0.07 -0.13 0.02 0.00 0.82 0.00 0.00 66.70 67.34 1rrj h VAL 730 Cb 1.25 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1rrj h VAL 730 CO 0.10 0.07 0.53 0.00 0.02 0.00 0.00 177.57 178.29 1rrj h ALA 731 N 1.14 1.05 -0.26 1.67 0.00 -0.88 -1.02 119.26 120.96 1rrj h ALA 731 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1rrj h ALA 731 Cb -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1rrj h ALA 731 CO -0.05 0.39 -0.05 2.35 0.00 0.00 0.00 179.25 181.88 1rrj h TRP 732 N 1.06 0.56 -0.54 0.00 7.01 -1.15 -1.41 115.95 121.48 1rrj h TRP 732 Ca 0.31 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 61.20 1rrj h TRP 732 Cb -0.06 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 1rrj h TRP 732 CO -0.02 0.70 0.34 0.00 -2.79 0.00 0.00 178.44 176.67 1rrj h LYS 734 N 0.73 0.39 -0.57 0.00 1.57 -1.17 0.56 116.57 118.07 1rrj h LYS 734 Ca 0.20 -0.23 -0.10 0.00 -1.87 0.00 0.00 60.65 58.64 1rrj h LYS 734 Cb -0.05 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1rrj h LYS 734 CO -0.04 0.82 -0.04 -0.22 -0.57 0.00 0.00 179.45 179.40 1rrj h LYS 735 N 0.30 1.03 -0.24 3.15 3.64 -1.04 -3.23 116.57 120.18 1rrj h LYS 735 Ca 0.01 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 1rrj h LYS 735 Cb 1.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 1rrj h LYS 735 CO 0.09 1.04 0.00 0.91 -2.27 0.00 0.00 179.45 179.22 1rrj n TRP 736 N -4.19 0.30 -1.89 1.91 7.02 -0.79 -4.98 117.44 114.82 1rrj n TRP 736 Ca 0.02 -0.20 -0.12 0.00 -1.02 0.00 0.00 57.50 56.18 1rrj n TRP 736 Cb 0.37 -0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.23 1rrj n TRP 736 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rrj n GLY 737 N 1.09 0.42 3.62 6.99 0.00 -0.17 -4.99 105.19 112.15 1rrj n GLY 737 Ca 0.14 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 1rrj n GLY 737 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rrj s VAL 738 N -2.54 4.86 0.27 1.61 1.01 0.01 -5.02 120.40 120.60 1rrj s VAL 738 Ca 0.00 1.20 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 1rrj s VAL 738 Cb 0.00 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1rrj s VAL 738 CO 0.00 -0.15 1.61 -2.16 0.00 0.00 0.00 175.10 174.40 1rrj s PRO 739 N 2.80 4.13 0.53 2.72 0.04 -1.26 -4.48 135.00 139.48 1rrj s PRO 739 Ca 0.31 2.56 0.28 0.00 0.04 0.00 0.00 61.00 64.18 1rrj s PRO 739 Cb -0.15 -3.04 1.43 0.00 0.04 0.00 0.00 34.50 32.78 1rrj s PRO 739 CO 0.11 -0.64 1.96 0.97 0.04 0.00 0.00 177.00 179.43 1rrj h ILE 740 N 3.50 0.66 0.00 0.56 6.09 -1.94 -2.09 117.51 124.29 1rrj h ILE 740 Ca -0.46 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.03 1rrj h ILE 740 Cb 1.22 0.67 0.00 0.00 0.47 0.00 0.00 36.82 39.17 1rrj h ILE 740 CO 0.83 0.00 0.00 -1.84 -3.07 0.00 0.00 178.15 174.07 1rrj n GLU 741 N -4.32 0.13 0.15 2.19 0.00 -1.26 -0.80 120.64 116.73 1rrj n GLU 741 Ca 0.13 0.41 0.09 0.00 0.00 0.00 0.00 57.16 57.79 1rrj n GLU 741 Cb 0.73 -1.77 0.07 0.00 0.00 0.00 0.00 31.44 30.47 1rrj n GLU 741 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 1rrj h LYS 742 N 0.00 0.00 0.00 3.44 1.79 -1.75 -3.39 116.57 116.66 1rrj h LYS 742 Ca 0.00 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.15 1rrj h LYS 742 Cb 0.27 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 1rrj h LYS 742 CO 0.00 0.13 -2.05 -0.89 -1.08 0.00 0.00 179.45 175.56 1rrj n ILE 743 N -2.98 1.39 -4.39 1.86 2.08 -0.57 -4.99 119.36 111.76 1rrj n ILE 743 Ca 0.01 -0.23 -0.34 0.00 0.56 0.00 0.00 62.75 62.75 1rrj n ILE 743 Cb 0.61 -1.93 -0.11 0.00 -0.75 0.00 0.00 39.64 37.45 1rrj n ILE 743 CO 0.00 0.00 0.00 -0.31 0.56 0.00 0.00 176.55 176.80 1rrj s TYR 744 N -2.53 3.05 1.01 1.39 2.02 0.02 -5.13 117.35 117.18 1rrj s TYR 744 Ca -0.33 -0.17 -0.17 0.00 -0.37 0.00 0.00 57.07 56.03 1rrj s TYR 744 Cb 0.11 -1.92 0.23 0.00 -0.40 0.00 0.00 41.96 39.98 1rrj s TYR 744 CO 0.42 0.08 1.34 0.54 -1.57 0.00 0.00 175.55 176.37 1rrj s ASN 745 N 0.08 2.68 0.19 2.29 2.20 -1.26 -4.19 114.94 116.94 1rrj s ASN 745 Ca 0.00 0.18 -0.19 0.00 -0.94 0.00 0.00 52.86 51.92 1rrj s ASN 745 Cb -0.13 -0.14 0.15 0.00 -2.00 0.00 0.00 41.25 39.12 1rrj s ASN 745 CO 0.02 -3.00 1.60 0.50 -2.94 0.00 0.00 177.10 173.29 1rrj h LYS 746 N -1.83 -0.13 -0.33 3.55 3.11 -1.99 -0.27 116.57 118.70 1rrj h LYS 746 Ca -0.44 0.01 -0.10 0.00 -2.81 0.00 0.00 60.65 57.31 1rrj h LYS 746 Cb 1.22 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 32.46 1rrj h LYS 746 CO 0.32 -0.08 -0.20 0.00 -2.81 0.00 0.00 179.45 176.67 1rrj h THR 747 N -0.13 1.26 -0.02 1.00 1.03 -2.00 -2.45 112.91 111.60 1rrj h THR 747 Ca 0.24 -1.24 -0.17 0.00 -0.01 0.00 0.00 66.41 65.23 1rrj h THR 747 Cb 0.52 1.23 -0.01 0.00 -1.07 0.00 0.00 68.15 68.82 1rrj h THR 747 CO -0.64 0.41 -0.75 1.56 -0.01 0.00 0.00 175.52 176.08 1rrj h GLN 748 N 0.54 0.17 -0.07 0.00 4.20 -1.81 -2.50 115.11 115.65 1rrj h GLN 748 Ca 0.08 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 1rrj h GLN 748 Cb 0.65 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1rrj h GLN 748 CO 0.05 0.85 -0.39 -0.09 -0.67 0.00 0.00 178.83 178.57 1rrj h ARG 749 N 0.11 0.14 -0.00 1.46 2.43 -0.83 -1.47 114.38 116.21 1rrj h ARG 749 Ca -0.02 -0.06 -0.25 0.00 -0.81 0.00 0.00 59.98 58.84 1rrj h ARG 749 Cb 1.33 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1rrj h ARG 749 CO 0.11 0.52 -0.99 0.93 -1.51 0.00 0.00 179.97 179.02 1rrj h GLU 750 N 0.12 0.59 -0.44 0.20 5.08 -1.31 -2.37 114.58 116.45 1rrj h GLU 750 Ca 0.01 -0.62 -0.15 0.00 -1.00 0.00 0.00 59.36 57.60 1rrj h GLU 750 Cb 0.75 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 1rrj h GLU 750 CO 0.06 1.23 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.79 1rrj h LYS 751 N 0.33 0.98 -0.74 2.33 3.64 -1.24 -3.21 116.57 118.67 1rrj h LYS 751 Ca -0.11 -0.46 -0.19 0.00 -1.27 0.00 0.00 60.65 58.62 1rrj h LYS 751 Cb 1.64 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 33.34 1rrj h LYS 751 CO 0.19 1.13 0.24 1.19 -2.27 0.00 0.00 179.45 179.93 1rrj n PHE 752 N -4.09 2.45 -0.26 1.91 3.72 -0.57 -4.58 117.46 116.04 1rrj n PHE 752 Ca -0.01 -1.13 0.11 0.00 -0.05 0.00 0.00 57.45 56.36 1rrj n PHE 752 Cb 0.50 -0.67 0.36 0.00 -0.94 0.00 0.00 39.48 38.73 1rrj n PHE 752 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rrj h ALA 753 N 2.91 1.79 -0.70 4.37 0.00 -1.42 -1.32 119.26 124.91 1rrj h ALA 753 Ca 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1rrj h ALA 753 Cb 2.31 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.93 1rrj h ALA 753 CO 0.72 -0.01 0.33 0.11 0.00 0.00 0.00 179.25 180.40 1rrj h TRP 754 N 0.72 0.98 -0.02 0.00 5.08 -1.87 -2.64 115.95 118.21 1rrj h TRP 754 Ca 0.43 -0.04 -0.26 0.00 1.08 0.00 0.00 58.89 60.11 1rrj h TRP 754 Cb 0.63 -0.31 0.02 0.00 -3.00 0.00 0.00 29.16 26.50 1rrj h TRP 754 CO -0.00 0.71 -1.00 0.00 -1.28 0.00 0.00 178.44 176.88 1rrj h ALA 755 N 1.38 0.19 -0.82 0.11 0.00 -1.51 -2.04 119.26 116.58 1rrj h ALA 755 Ca 0.24 -0.69 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1rrj h ALA 755 Cb 0.10 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1rrj h ALA 755 CO -0.03 0.71 0.44 0.82 0.00 0.00 0.00 179.25 181.18 1rrj h ILE 756 N 0.39 1.25 0.06 0.00 2.04 -1.29 -3.21 117.51 116.74 1rrj h ILE 756 Ca -0.11 -0.63 -0.11 0.00 1.00 0.00 0.00 64.86 65.01 1rrj h ILE 756 Cb 1.64 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1rrj h ILE 756 CO 0.19 0.28 -0.53 -0.78 0.00 0.00 0.00 178.15 177.32 1rrj h ASP 757 N 1.15 0.20 -3.38 1.72 1.82 -1.56 -3.41 116.42 112.96 1rrj h ASP 757 Ca 0.29 -0.93 -0.77 0.00 -0.39 0.00 0.00 57.03 55.23 1rrj h ASP 757 Cb 0.05 -0.07 -0.30 0.00 0.68 0.00 0.00 39.33 39.70 1rrj h ASP 757 CO -0.04 1.24 0.34 0.80 -1.61 0.00 0.00 179.24 179.96 1rrj n MET 758 N -4.36 3.42 0.00 0.28 1.56 -0.77 -4.90 117.12 112.35 1rrj n MET 758 Ca -0.15 -4.48 0.00 0.00 -0.27 0.00 0.00 57.70 52.80 1rrj n MET 758 Cb 0.66 -2.50 0.00 0.00 2.15 0.00 0.00 33.22 33.52 1rrj n MET 758 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1rrj n ALA 759 N 2.35 0.00 -1.93 -5.12 0.00 -1.21 -4.59 120.51 110.01 1rrj n ALA 759 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.42 1rrj n ALA 759 Cb 0.38 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.91 1rrj n ALA 759 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1rrj s ASP 760 N 0.00 4.63 0.00 0.00 3.84 -1.26 -4.78 116.67 119.10 1rrj s ASP 760 Ca 0.00 0.44 0.16 0.00 -0.00 0.00 0.00 52.55 53.15 1rrj s ASP 760 Cb 0.00 -1.01 0.75 0.00 -1.38 0.00 0.00 42.92 41.28 1rrj s ASP 760 CO 0.00 -1.73 1.46 -1.84 -0.00 0.00 0.00 175.17 173.06 1rrj n GLU 761 N -3.02 0.16 -0.31 2.11 0.28 -1.26 -2.77 120.64 115.82 1rrj n GLU 761 Ca 0.09 0.17 0.08 0.00 -0.16 0.00 0.00 57.16 57.34 1rrj n GLU 761 Cb 0.60 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 32.21 1rrj n GLU 761 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1rrj n ASP 762 N -1.35 3.54 -4.75 -1.84 8.00 -1.26 -4.67 116.55 114.22 1rrj n ASP 762 Ca 0.06 -2.13 -0.41 0.00 0.71 0.00 0.00 54.79 53.02 1rrj n ASP 762 Cb 0.14 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.85 1rrj n ASP 762 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1rrj s TYR 763 N -1.23 2.96 -0.10 1.24 5.04 -1.11 -5.03 117.35 119.12 1rrj s TYR 763 Ca 0.36 0.98 0.02 0.00 -2.44 0.00 0.00 57.07 55.99 1rrj s TYR 763 Cb 0.20 -3.87 0.01 0.00 0.35 0.00 0.00 41.96 38.65 1rrj s TYR 763 CO 0.22 -2.85 -0.16 -1.21 -1.34 0.00 0.00 175.55 170.21 1rrj s GLU 764 N -0.45 2.20 0.00 4.97 2.02 -1.26 -4.93 118.70 121.25 1rrj s GLU 764 Ca 0.60 -0.57 0.15 0.00 0.02 0.00 0.00 54.97 55.17 1rrj s GLU 764 Cb -0.43 -1.82 0.88 0.00 0.10 0.00 0.00 34.13 32.85 1rrj s GLU 764 CO 0.45 -0.01 1.29 0.34 0.02 0.00 0.00 175.26 177.35