#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jva s GLY 283 N 0.00 2.90 0.14 7.55 0.00 -1.25 -4.83 107.32 111.82 1jva s GLY 283 Ca 0.00 1.35 -0.01 0.00 0.00 0.00 0.00 44.72 46.07 1jva s GLY 283 CO 0.00 1.93 0.19 1.44 0.00 0.00 0.00 173.10 176.66 1jva n SER 284 N -0.41 -0.53 -4.47 1.64 7.64 -1.26 -4.29 113.62 111.94 1jva n SER 284 Ca 0.07 -1.73 -0.26 0.00 1.01 0.00 0.00 58.87 57.96 1jva n SER 284 Cb 0.43 0.99 -0.10 0.00 -1.01 0.00 0.00 64.21 64.53 1jva n SER 284 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1jva s PHE 285 N -4.23 2.04 0.65 1.43 0.40 -0.48 0.10 117.98 117.88 1jva s PHE 285 Ca 0.11 -0.96 -0.10 0.00 -0.60 0.00 0.00 56.93 55.38 1jva s PHE 285 Cb -0.00 -1.42 -0.00 0.00 0.51 0.00 0.00 43.02 42.10 1jva s PHE 285 CO 0.08 0.08 1.03 0.00 0.70 0.00 0.00 175.22 177.11 1jva s ALA 286 N -3.08 3.05 0.33 5.36 0.00 -0.49 -0.51 121.76 126.41 1jva s ALA 286 Ca 0.29 -0.35 -0.29 0.00 0.00 0.00 0.00 51.96 51.61 1jva s ALA 286 Cb 0.07 -2.94 -0.10 0.00 0.00 0.00 0.00 23.12 20.15 1jva s ALA 286 CO 0.14 -0.92 1.30 0.21 0.00 0.00 0.00 175.76 176.49 1jva s LYS 287 N -5.21 4.37 0.00 0.00 2.20 -1.26 -2.51 119.74 117.33 1jva s LYS 287 Ca 0.56 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 1jva s LYS 287 Cb -0.11 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 1jva s LYS 287 CO 0.51 -0.17 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 1jva n GLY 288 N 0.85 1.95 3.68 5.54 0.00 -1.26 -5.02 105.19 110.93 1jva n GLY 288 Ca 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.50 1jva n GLY 288 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jva n THR 289 N -2.00 0.33 -2.90 2.61 -1.04 -1.04 -4.70 114.28 105.54 1jva n THR 289 Ca 0.00 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.05 61.54 1jva n THR 289 Cb 0.00 -1.43 -0.04 0.00 -1.82 0.00 0.00 70.33 67.04 1jva n THR 289 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1jva s ASN 290 N 3.03 6.98 -0.05 8.00 0.01 -1.26 -0.47 114.94 131.18 1jva s ASN 290 Ca 0.92 1.20 0.02 0.00 -0.71 0.00 0.00 52.86 54.30 1jva s ASN 290 Cb -0.88 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 38.29 1jva s ASN 290 CO 0.55 -0.36 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.99 1jva s VAL 291 N 1.93 3.44 -0.22 1.60 1.01 0.21 -0.94 120.40 127.43 1jva s VAL 291 Ca 0.39 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 61.49 1jva s VAL 291 Cb -0.17 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1jva s VAL 291 CO 0.14 0.56 0.84 -0.22 0.00 0.00 0.00 175.10 176.41 1jva s LEU 292 N -0.90 4.11 0.69 3.92 2.96 -0.91 -0.66 118.68 127.88 1jva s LEU 292 Ca 0.13 1.09 -0.11 0.00 -0.22 0.00 0.00 54.13 55.01 1jva s LEU 292 Cb -0.11 -3.22 0.00 0.00 0.50 0.00 0.00 46.19 43.37 1jva s LEU 292 CO 0.02 -0.49 1.07 -0.04 -1.32 0.00 0.00 176.35 175.59 1jva s MET 293 N 2.67 3.02 0.54 1.98 -1.94 0.29 -1.28 119.30 124.58 1jva s MET 293 Ca 0.36 0.70 0.22 0.00 -1.71 0.00 0.00 55.69 55.26 1jva s MET 293 Cb -0.16 -2.02 1.49 0.00 2.01 0.00 0.00 34.83 36.15 1jva s MET 293 CO 0.09 -0.98 2.18 0.00 -0.01 0.00 0.00 175.02 176.30 1jva h ALA 294 N -0.62 1.76 -0.07 3.03 0.00 -0.74 -0.56 119.26 122.05 1jva h ALA 294 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1jva h ALA 294 Cb 1.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jva h ALA 294 CO 0.61 0.02 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1jva n ASP 295 N -4.20 1.21 0.00 0.00 5.75 -1.26 -4.83 116.55 113.21 1jva n ASP 295 Ca -0.03 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1jva n ASP 295 Cb 0.10 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.15 1jva n ASP 295 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jva n GLY 296 N 1.09 0.69 3.88 6.12 0.00 -0.22 -4.98 105.19 111.78 1jva n GLY 296 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1jva n GLY 296 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jva s SER 297 N -2.93 6.43 -0.11 1.61 1.04 -1.26 -4.76 113.70 113.72 1jva s SER 297 Ca 0.00 1.09 -0.05 0.00 0.48 0.00 0.00 55.95 57.47 1jva s SER 297 Cb 0.00 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 1jva s SER 297 CO 0.00 -0.48 0.09 -0.63 0.98 0.00 0.00 173.24 173.20 1jva s ILE 298 N -2.52 5.07 -0.02 -1.02 1.01 -1.26 0.10 121.20 122.55 1jva s ILE 298 Ca 0.50 0.04 -0.08 0.00 0.00 0.00 0.00 60.65 61.12 1jva s ILE 298 Cb -0.10 -3.18 0.01 0.00 0.01 0.00 0.00 42.46 39.19 1jva s ILE 298 CO 0.36 0.61 0.17 -0.70 0.00 0.00 0.00 174.94 175.39 1jva s GLU 299 N -0.96 0.42 -0.08 2.79 2.12 0.16 -4.94 118.70 118.22 1jva s GLU 299 Ca 0.14 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 55.02 1jva s GLU 299 Cb -0.12 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 1jva s GLU 299 CO 0.03 -0.09 1.06 0.00 -0.54 0.00 0.00 175.26 175.72 1jva h ILE 301 N 5.03 0.13 0.00 0.00 2.10 -1.05 0.37 117.51 124.08 1jva h ILE 301 Ca -0.33 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.58 1jva h ILE 301 Cb 1.16 0.03 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 1jva h ILE 301 CO 0.85 0.02 0.00 1.05 -1.08 0.00 0.00 178.15 178.99 1jva h GLU 302 N 0.09 0.00 -0.36 2.19 9.09 -1.90 -1.21 114.58 122.48 1jva h GLU 302 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.05 1jva h GLU 302 Cb 1.42 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.52 1jva h GLU 302 CO -0.79 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.36 1jva n ASN 303 N -2.59 2.95 -4.77 3.06 5.03 0.13 -4.92 115.26 114.15 1jva n ASN 303 Ca -0.00 -1.92 -0.39 0.00 0.87 0.00 0.00 54.58 53.13 1jva n ASN 303 Cb 0.16 -0.23 -0.06 0.00 -1.02 0.00 0.00 39.78 38.63 1jva n ASN 303 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jva s ILE 304 N -1.53 4.57 0.02 2.41 1.01 -0.46 -4.97 121.20 122.25 1jva s ILE 304 Ca 0.37 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.65 1jva s ILE 304 Cb 0.21 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.58 1jva s ILE 304 CO 0.29 0.48 -0.16 -1.61 0.00 0.00 0.00 174.94 173.94 1jva s GLU 305 N -0.76 1.18 0.46 2.79 2.02 -1.26 -5.06 118.70 118.07 1jva s GLU 305 Ca 0.35 -0.73 -0.19 0.00 0.02 0.00 0.00 54.97 54.41 1jva s GLU 305 Cb -0.21 -1.20 -0.15 0.00 0.10 0.00 0.00 34.13 32.67 1jva s GLU 305 CO 0.23 0.31 -0.01 0.28 0.02 0.00 0.00 175.26 176.10 1jva n VAL 306 N 2.18 0.34 0.00 2.63 0.31 -1.26 -1.76 118.33 120.77 1jva n VAL 306 Ca -0.16 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.67 1jva n VAL 306 Cb 0.54 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 1jva n VAL 306 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jva n GLY 307 N 2.41 2.77 3.74 2.92 0.00 -0.15 -4.99 105.19 111.89 1jva n GLY 307 Ca 0.09 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 1jva n GLY 307 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jva s ASN 308 N 0.27 4.95 -0.23 1.61 0.02 -0.72 -4.55 114.94 116.29 1jva s ASN 308 Ca 0.00 2.64 -0.03 0.00 -1.02 0.00 0.00 52.86 54.45 1jva s ASN 308 Cb 0.00 -2.62 0.00 0.00 0.02 0.00 0.00 41.25 38.65 1jva s ASN 308 CO 0.00 -1.77 -0.04 -0.54 0.02 0.00 0.00 177.10 174.77 1jva s LYS 309 N -3.18 3.19 0.67 -0.60 1.02 -1.26 -0.22 119.74 119.35 1jva s LYS 309 Ca 0.78 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.95 1jva s LYS 309 Cb -0.38 -3.02 0.04 0.00 -0.52 0.00 0.00 37.83 33.96 1jva s LYS 309 CO 0.42 -0.27 0.98 0.14 -0.92 0.00 0.00 175.35 175.70 1jva s VAL 310 N 1.43 2.76 -0.11 3.17 -7.23 -0.34 -0.27 120.40 119.81 1jva s VAL 310 Ca 0.04 -0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 59.76 1jva s VAL 310 Cb -0.15 -3.16 -0.01 0.00 0.56 0.00 0.00 36.38 33.61 1jva s VAL 310 CO -0.04 -0.17 1.03 -0.32 -0.31 0.00 0.00 175.10 175.29 1jva s MET 311 N -5.17 4.41 0.26 4.82 1.75 -0.40 -0.46 119.30 124.50 1jva s MET 311 Ca 0.58 1.42 -0.14 0.00 -1.25 0.00 0.00 55.69 56.30 1jva s MET 311 Cb -0.11 -3.55 -0.08 0.00 2.84 0.00 0.00 34.83 33.93 1jva s MET 311 CO 0.45 -0.34 0.65 0.20 -0.65 0.00 0.00 175.02 175.33 1jva s GLY 312 N 1.14 2.37 0.67 2.11 0.00 0.99 -1.06 107.32 113.52 1jva s GLY 312 Ca 0.49 -0.07 0.43 0.00 0.00 0.00 0.00 44.72 45.58 1jva s GLY 312 CO 0.18 0.14 2.33 0.07 0.00 0.00 0.00 173.10 175.82 1jva h LYS 313 N 2.65 0.00 -0.33 2.90 2.10 -1.82 0.90 116.57 122.96 1jva h LYS 313 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1jva h LYS 313 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1jva h LYS 313 CO 0.67 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.72 1jva n ASP 314 N -3.05 2.11 0.00 7.07 5.75 -1.26 -4.77 116.55 122.40 1jva n ASP 314 Ca -0.03 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1jva n ASP 314 Cb 0.10 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 1jva n ASP 314 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jva n GLY 315 N 1.17 1.52 3.92 6.12 0.00 0.31 -4.83 105.19 113.40 1jva n GLY 315 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 1jva n GLY 315 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jva s ARG 316 N -0.60 3.56 0.78 1.61 0.52 -1.25 -4.38 118.95 119.19 1jva s ARG 316 Ca 0.00 -0.17 -0.12 0.00 -0.52 0.00 0.00 55.73 54.92 1jva s ARG 316 Cb 0.00 -2.68 0.06 0.00 0.52 0.00 0.00 34.95 32.85 1jva s ARG 316 CO 0.00 0.22 1.13 -1.25 0.02 0.00 0.00 175.30 175.42 1jva s PRO 317 N -3.79 2.03 -0.31 3.54 0.04 -1.26 -0.01 135.00 135.24 1jva s PRO 317 Ca 0.42 1.42 -0.02 0.00 0.04 0.00 0.00 61.00 62.86 1jva s PRO 317 Cb -0.10 -1.85 0.11 0.00 0.04 0.00 0.00 34.50 32.69 1jva s PRO 317 CO 0.32 -1.85 0.13 1.03 0.04 0.00 0.00 177.00 176.68 1jva s ARG 318 N -4.48 0.52 0.26 4.56 1.81 0.39 -4.67 118.95 117.33 1jva s ARG 318 Ca 0.66 -0.94 -0.31 0.00 -1.72 0.00 0.00 55.73 53.42 1jva s ARG 318 Cb -0.22 -1.60 -0.12 0.00 -0.45 0.00 0.00 34.95 32.57 1jva s ARG 318 CO 0.51 -1.04 1.64 -1.91 -0.68 0.00 0.00 175.30 173.83 1jva n GLU 319 N 4.84 2.72 -3.02 3.54 2.13 -1.26 -1.20 120.64 128.38 1jva n GLU 319 Ca -0.01 0.97 -0.40 0.00 0.66 0.00 0.00 57.16 58.38 1jva n GLU 319 Cb 0.41 -2.78 -0.05 0.00 0.27 0.00 0.00 31.44 29.29 1jva n GLU 319 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1jva s VAL 320 N 0.43 4.98 -0.29 6.31 1.01 0.69 -3.83 120.40 129.70 1jva s VAL 320 Ca 0.68 1.40 0.07 0.00 0.00 0.00 0.00 61.98 64.13 1jva s VAL 320 Cb -0.50 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 31.77 1jva s VAL 320 CO 0.42 0.13 0.27 2.30 0.00 0.00 0.00 175.10 178.22 1jva n ILE 321 N 4.43 0.00 -3.95 2.22 -5.35 -0.03 -0.98 119.36 115.70 1jva n ILE 321 Ca 0.01 -0.33 -0.09 0.00 -0.27 0.00 0.00 62.75 62.07 1jva n ILE 321 Cb 0.50 0.95 -0.04 0.00 -1.74 0.00 0.00 39.64 39.32 1jva n ILE 321 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1jva s LYS 322 N -1.68 1.68 -0.41 6.28 1.02 -1.23 -4.96 119.74 120.44 1jva s LYS 322 Ca 0.02 -1.20 0.03 0.00 0.02 0.00 0.00 55.97 54.85 1jva s LYS 322 Cb 0.05 0.52 0.16 0.00 -0.52 0.00 0.00 37.83 38.05 1jva s LYS 322 CO 0.27 -0.73 0.37 -0.51 -0.92 0.00 0.00 175.35 173.83 1jva s LEU 323 N -3.00 0.70 0.51 3.17 1.43 -1.26 -2.79 118.68 117.44 1jva s LEU 323 Ca 0.19 -2.48 -0.21 0.00 -1.03 0.00 0.00 54.13 50.60 1jva s LEU 323 Cb -0.03 0.05 -0.08 0.00 0.03 0.00 0.00 46.19 46.16 1jva s LEU 323 CO 0.09 -0.20 0.86 -2.65 0.23 0.00 0.00 176.35 174.69 1jva n PRO 324 N 3.32 0.97 -4.04 1.29 -0.02 -1.06 -4.78 135.00 130.68 1jva n PRO 324 Ca 0.22 0.36 -0.08 0.00 -2.02 0.00 0.00 63.50 61.98 1jva n PRO 324 Cb 0.46 -1.98 -0.10 0.00 -0.02 0.00 0.00 33.50 31.87 1jva n PRO 324 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jva s ARG 325 N -2.26 0.56 0.00 -0.52 1.81 -1.26 -2.11 118.95 115.18 1jva s ARG 325 Ca 0.69 -1.05 0.00 0.00 -1.72 0.00 0.00 55.73 53.65 1jva s ARG 325 Cb -0.49 0.20 0.00 0.00 -0.45 0.00 0.00 34.95 34.21 1jva s ARG 325 CO 0.53 -0.11 0.00 0.41 -0.68 0.00 0.00 175.30 175.45 1jva n GLY 326 N 0.44 -1.03 3.67 -3.53 0.00 -1.20 -4.97 105.19 98.57 1jva n GLY 326 Ca -0.16 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 1jva n GLY 326 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jva s ARG 327 N -1.56 2.37 0.00 1.61 1.81 -1.26 0.25 118.95 122.17 1jva s ARG 327 Ca 0.00 -1.38 0.00 0.00 -1.72 0.00 0.00 55.73 52.63 1jva s ARG 327 Cb 0.00 -2.21 0.00 0.00 -0.45 0.00 0.00 34.95 32.29 1jva s ARG 327 CO 0.00 0.36 0.00 -1.91 -0.68 0.00 0.00 175.30 173.07 1jva n GLU 328 N -0.94 0.00 -1.70 3.54 2.13 -1.15 -4.92 120.64 117.60 1jva n GLU 328 Ca -0.06 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.36 1jva n GLU 328 Cb 0.59 0.00 0.04 0.00 0.27 0.00 0.00 31.44 32.34 1jva n GLU 328 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1jva n THR 329 N -0.55 3.45 -4.31 6.31 -1.04 -1.26 -3.21 114.28 113.67 1jva n THR 329 Ca 0.00 -0.50 -0.24 0.00 -2.04 0.00 0.00 64.05 61.27 1jva n THR 329 Cb 0.00 -1.50 -0.08 0.00 -1.82 0.00 0.00 70.33 66.93 1jva n THR 329 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1jva s MET 330 N -2.66 2.22 -0.05 -2.82 1.00 -1.08 -1.15 119.30 114.76 1jva s MET 330 Ca 0.70 -1.42 -0.01 0.00 0.00 0.00 0.00 55.69 54.96 1jva s MET 330 Cb -0.45 -2.13 0.03 0.00 0.00 0.00 0.00 34.83 32.28 1jva s MET 330 CO 0.51 0.37 0.02 0.71 0.00 0.00 0.00 175.02 176.63 1jva s TYR 331 N -2.25 0.36 -0.08 -0.03 1.51 0.66 0.49 117.35 118.00 1jva s TYR 331 Ca 0.30 0.02 -0.20 0.00 -1.01 0.00 0.00 57.07 56.19 1jva s TYR 331 Cb -0.07 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.17 1jva s TYR 331 CO 0.19 -0.22 0.56 -1.54 -1.11 0.00 0.00 175.55 173.43 1jva s SER 332 N 1.71 6.81 -0.24 2.29 1.04 -0.95 -0.43 113.70 123.94 1jva s SER 332 Ca -0.00 0.97 -0.10 0.00 0.48 0.00 0.00 55.95 57.31 1jva s SER 332 Cb -0.13 -2.33 -0.05 0.00 0.10 0.00 0.00 66.02 63.62 1jva s SER 332 CO -0.03 -0.01 0.14 -0.69 0.98 0.00 0.00 173.24 173.62 1jva s VAL 333 N 0.52 5.09 -0.00 5.02 1.01 0.15 -2.35 120.40 129.84 1jva s VAL 333 Ca 0.30 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1jva s VAL 333 Cb -0.16 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1jva s VAL 333 CO 0.14 0.34 -0.08 0.54 0.00 0.00 0.00 175.10 176.04 1jva s VAL 334 N 1.19 0.62 0.23 2.92 0.11 -0.48 -1.89 120.40 123.11 1jva s VAL 334 Ca 0.06 -0.35 -0.30 0.00 -2.93 0.00 0.00 61.98 58.47 1jva s VAL 334 Cb -0.14 -0.52 -0.09 0.00 -1.53 0.00 0.00 36.38 34.09 1jva s VAL 334 CO 0.05 0.16 1.32 -1.58 -3.33 0.00 0.00 175.10 171.73 1jva s GLN 335 N -0.21 4.37 -0.07 1.54 0.74 -0.77 0.21 119.66 125.48 1jva s GLN 335 Ca 0.03 2.11 -0.26 0.00 0.05 0.00 0.00 55.36 57.29 1jva s GLN 335 Cb -0.03 -3.16 -0.03 0.00 1.10 0.00 0.00 33.01 30.89 1jva s GLN 335 CO -0.00 -0.25 0.82 0.15 -0.55 0.00 0.00 175.29 175.46 1jva s LYS 336 N -0.49 4.45 0.00 1.67 1.02 -0.20 -4.73 119.74 121.46 1jva s LYS 336 Ca 0.55 1.08 0.00 0.00 0.02 0.00 0.00 55.97 57.63 1jva s LYS 336 Cb -0.38 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.46 1jva s LYS 336 CO 0.42 -0.05 0.00 -1.13 -0.92 0.00 0.00 175.35 173.66 1jva n SER 337 N 4.12 2.38 0.00 2.83 3.41 -1.26 -4.77 113.62 120.33 1jva n SER 337 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1jva n SER 337 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1jva n SER 337 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jva n GLU 349 N 0.00 0.00 -2.24 4.33 1.02 -1.26 -5.16 120.64 117.32 1jva n GLU 349 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.72 1jva n GLU 349 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1jva n GLU 349 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1jva s VAL 350 N 0.00 3.68 0.30 2.62 1.01 -1.11 -4.95 120.40 121.95 1jva s VAL 350 Ca 0.00 0.61 -0.29 0.00 0.00 0.00 0.00 61.98 62.29 1jva s VAL 350 Cb 0.00 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 1jva s VAL 350 CO 0.00 -0.88 1.38 -2.65 0.00 0.00 0.00 175.10 172.95 1jva n PRO 351 N 8.57 2.19 -2.74 2.72 -0.02 -1.26 -4.29 135.00 140.17 1jva n PRO 351 Ca 0.17 0.77 -0.02 0.00 -2.02 0.00 0.00 63.50 62.40 1jva n PRO 351 Cb 0.49 -2.41 0.09 0.00 -0.02 0.00 0.00 33.50 31.65 1jva n PRO 351 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1jva n GLU 352 N 1.27 1.48 -2.05 -0.52 -0.58 -1.26 -5.04 120.64 113.93 1jva n GLU 352 Ca 0.07 -2.25 -0.41 0.00 -0.42 0.00 0.00 57.16 54.15 1jva n GLU 352 Cb 0.35 -0.48 -0.02 0.00 -0.57 0.00 0.00 31.44 30.72 1jva n GLU 352 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1jva s LEU 353 N -3.87 4.40 0.12 -4.62 1.43 -1.26 -5.01 118.68 109.87 1jva s LEU 353 Ca 0.18 2.68 -0.27 0.00 -1.03 0.00 0.00 54.13 55.69 1jva s LEU 353 Cb 0.40 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.91 1jva s LEU 353 CO -0.08 -0.64 0.84 -0.76 0.23 0.00 0.00 176.35 175.94 1jva s LEU 354 N -1.00 4.53 0.22 1.79 1.43 -1.26 -4.89 118.68 119.51 1jva s LEU 354 Ca 0.55 1.66 -0.23 0.00 -1.03 0.00 0.00 54.13 55.08 1jva s LEU 354 Cb -0.41 -3.39 0.04 0.00 0.03 0.00 0.00 46.19 42.46 1jva s LEU 354 CO 0.48 0.08 0.80 -1.59 0.23 0.00 0.00 176.35 176.35 1jva s LYS 355 N -0.54 1.53 -0.29 1.70 -2.85 -1.26 -1.85 119.74 116.19 1jva s LYS 355 Ca 0.40 -0.83 -0.32 0.00 -1.00 0.00 0.00 55.97 54.22 1jva s LYS 355 Cb -0.23 0.53 0.19 0.00 -2.06 0.00 0.00 37.83 36.26 1jva s LYS 355 CO 0.27 -0.70 1.37 -0.59 0.10 0.00 0.00 175.35 175.80 1jva s PHE 356 N -3.67 -0.02 -0.12 1.78 -0.12 -0.79 -4.99 117.98 110.05 1jva s PHE 356 Ca 0.11 0.03 -0.03 0.00 -0.05 0.00 0.00 56.93 56.99 1jva s PHE 356 Cb -0.04 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.82 1jva s PHE 356 CO 0.04 -0.02 0.00 0.99 -0.05 0.00 0.00 175.22 176.18 1jva s THR 357 N -1.29 4.29 0.41 -4.49 2.01 -1.26 0.34 115.64 115.64 1jva s THR 357 Ca 0.10 -0.24 0.05 0.00 0.31 0.00 0.00 61.69 61.90 1jva s THR 357 Cb -0.01 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1jva s THR 357 CO -0.07 0.56 0.17 0.00 -0.69 0.00 0.00 174.62 174.59 1jva s ASN 359 N -3.59 5.21 0.38 0.00 2.20 0.12 -0.24 114.94 119.01 1jva s ASN 359 Ca 0.25 -0.14 0.09 0.00 -0.94 0.00 0.00 52.86 52.12 1jva s ASN 359 Cb 0.01 -0.70 0.77 0.00 -2.00 0.00 0.00 41.25 39.34 1jva s ASN 359 CO 0.17 -1.19 1.93 0.00 -2.94 0.00 0.00 177.10 175.07 1jva h ALA 360 N 0.07 1.51 -0.07 3.54 0.00 -1.45 -2.57 119.26 120.30 1jva h ALA 360 Ca -0.41 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1jva h ALA 360 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jva h ALA 360 CO 0.49 0.35 0.00 -2.37 0.00 0.00 0.00 179.25 177.72 1jva n THR 361 N -4.30 0.08 -2.12 0.00 5.66 -1.26 -2.08 114.28 110.26 1jva n THR 361 Ca -0.00 -0.23 -0.42 0.00 -3.05 0.00 0.00 64.05 60.35 1jva n THR 361 Cb 0.24 0.24 -0.03 0.00 -1.55 0.00 0.00 70.33 69.24 1jva n THR 361 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1jva s ASN 362 N -1.79 6.78 -0.34 1.09 3.04 -0.97 -3.91 114.94 118.84 1jva s ASN 362 Ca 0.36 2.36 -0.28 0.00 0.04 0.00 0.00 52.86 55.34 1jva s ASN 362 Cb 0.19 -2.58 0.02 0.00 -1.54 0.00 0.00 41.25 37.33 1jva s ASN 362 CO 0.30 -0.70 1.04 -1.61 -3.04 0.00 0.00 177.10 173.09 1jva s GLU 363 N 1.35 4.00 -0.00 0.43 2.02 -1.26 -1.83 118.70 123.41 1jva s GLU 363 Ca 0.66 0.92 -0.29 0.00 0.02 0.00 0.00 54.97 56.28 1jva s GLU 363 Cb -0.37 -3.76 -0.03 0.00 0.10 0.00 0.00 34.13 30.06 1jva s GLU 363 CO 0.30 -0.94 0.93 -0.51 0.02 0.00 0.00 175.26 175.06 1jva s LEU 364 N 3.65 4.37 -0.60 1.80 1.43 0.14 -3.89 118.68 125.60 1jva s LEU 364 Ca 0.44 1.59 -0.25 0.00 -1.03 0.00 0.00 54.13 54.87 1jva s LEU 364 Cb -0.12 -3.48 0.04 0.00 0.03 0.00 0.00 46.19 42.66 1jva s LEU 364 CO 0.17 -0.21 1.04 -0.69 0.23 0.00 0.00 176.35 176.89 1jva s VAL 365 N 0.87 4.21 0.34 -1.59 1.01 -1.26 -1.96 120.40 122.02 1jva s VAL 365 Ca 0.49 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.89 1jva s VAL 365 Cb -0.21 -4.65 -0.07 0.00 0.00 0.00 0.00 36.38 31.46 1jva s VAL 365 CO 0.26 -1.31 -0.06 0.68 0.00 0.00 0.00 175.10 174.68 1jva s VAL 366 N 4.42 2.00 0.01 2.92 -7.23 -0.30 -4.15 120.40 118.06 1jva s VAL 366 Ca 0.33 -2.13 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 1jva s VAL 366 Cb -0.11 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 1jva s VAL 366 CO 0.19 -0.17 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.62 1jva s ARG 367 N -3.67 0.47 -0.03 4.82 0.52 0.22 -1.63 118.95 119.66 1jva s ARG 367 Ca 0.33 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 55.25 1jva s ARG 367 Cb 0.05 -0.42 0.00 0.00 0.52 0.00 0.00 34.95 35.10 1jva s ARG 367 CO 0.16 0.11 -0.11 0.99 0.02 0.00 0.00 175.30 176.47 1jva s THR 368 N -0.39 0.90 0.43 0.02 2.01 -1.03 -0.89 115.64 116.70 1jva s THR 368 Ca -0.00 -0.44 -0.24 0.00 0.31 0.00 0.00 61.69 61.32 1jva s THR 368 Cb -0.04 -0.79 -0.08 0.00 0.01 0.00 0.00 72.50 71.60 1jva s THR 368 CO -0.00 0.27 1.15 -2.16 -0.69 0.00 0.00 174.62 173.20 1jva s PRO 369 N 0.09 3.91 0.60 4.92 0.04 -1.26 0.10 135.00 143.39 1jva s PRO 369 Ca -0.02 1.77 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1jva s PRO 369 Cb -0.08 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.91 1jva s PRO 369 CO 0.01 -0.42 1.05 1.03 0.04 0.00 0.00 177.00 178.71 1jva s ARG 370 N -2.54 3.34 -0.22 4.56 0.52 -0.62 -4.76 118.95 119.23 1jva s ARG 370 Ca 0.61 1.16 -0.23 0.00 -0.52 0.00 0.00 55.73 56.75 1jva s ARG 370 Cb -0.28 -2.04 0.06 0.00 0.52 0.00 0.00 34.95 33.21 1jva s ARG 370 CO 0.35 -0.79 0.64 0.45 0.02 0.00 0.00 175.30 175.97 1jva s SER 371 N -2.89 -0.66 -0.14 0.23 0.15 -1.26 -4.89 113.70 104.23 1jva s SER 371 Ca 0.63 1.22 -0.18 0.00 0.70 0.00 0.00 55.95 58.32 1jva s SER 371 Cb -0.15 1.23 0.05 0.00 -1.71 0.00 0.00 66.02 65.43 1jva s SER 371 CO 0.38 -0.27 0.47 0.54 1.20 0.00 0.00 173.24 175.57 1jva s VAL 372 N 0.16 0.01 -0.20 4.45 0.11 -1.26 -2.32 120.40 121.34 1jva s VAL 372 Ca -0.01 -0.08 -0.25 0.00 -2.93 0.00 0.00 61.98 58.71 1jva s VAL 372 Cb -0.04 -0.69 0.07 0.00 -1.53 0.00 0.00 36.38 34.18 1jva s VAL 372 CO 0.02 -0.04 0.68 0.00 -3.33 0.00 0.00 175.10 172.43 1jva s ARG 373 N -0.14 0.86 -0.08 1.54 1.70 -0.94 -5.00 118.95 116.90 1jva s ARG 373 Ca -0.03 0.77 0.03 0.00 -0.47 0.00 0.00 55.73 56.03 1jva s ARG 373 Cb -0.03 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 1jva s ARG 373 CO 0.02 -0.15 -0.17 0.50 -1.08 0.00 0.00 175.30 174.42 1jva s ARG 374 N -0.03 2.78 0.08 3.89 3.52 -1.26 -1.41 118.95 126.51 1jva s ARG 374 Ca -0.03 -0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 54.79 1jva s ARG 374 Cb -0.04 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.93 1jva s ARG 374 CO 0.03 0.44 0.05 -0.48 -0.81 0.00 0.00 175.30 174.53 1jva s LEU 375 N -0.26 2.06 -0.16 -0.88 2.34 0.09 -4.97 118.68 116.88 1jva s LEU 375 Ca 0.01 -0.94 -0.02 0.00 0.06 0.00 0.00 54.13 53.24 1jva s LEU 375 Cb -0.13 0.46 -0.01 0.00 -0.56 0.00 0.00 46.19 45.95 1jva s LEU 375 CO 0.03 -0.66 -0.10 -0.44 -1.06 0.00 0.00 176.35 174.11 1jva s SER 376 N -2.93 4.12 0.09 1.48 0.01 -1.26 -0.32 113.70 114.88 1jva s SER 376 Ca 0.10 -0.35 0.04 0.00 1.31 0.00 0.00 55.95 57.05 1jva s SER 376 Cb 0.07 -1.66 -0.03 0.00 0.21 0.00 0.00 66.02 64.61 1jva s SER 376 CO -0.08 0.10 -0.11 -0.60 0.41 0.00 0.00 173.24 172.95 1jva s ARG 377 N 0.75 0.84 -0.39 12.44 3.52 -0.85 -4.97 118.95 130.29 1jva s ARG 377 Ca -0.04 -1.08 -0.09 0.00 -0.13 0.00 0.00 55.73 54.39 1jva s ARG 377 Cb -0.15 -0.64 0.06 0.00 -1.56 0.00 0.00 34.95 32.66 1jva s ARG 377 CO 0.02 0.12 0.21 0.99 -0.81 0.00 0.00 175.30 175.82 1jva s THR 378 N -2.00 4.19 -0.29 4.11 2.01 -1.26 0.09 115.64 122.49 1jva s THR 378 Ca 0.03 -1.21 -0.09 0.00 0.31 0.00 0.00 61.69 60.73 1jva s THR 378 Cb -0.06 -3.47 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1jva s THR 378 CO 0.01 -0.36 0.12 -0.63 -0.69 0.00 0.00 174.62 173.07 1jva s ILE 379 N 1.45 4.49 -1.46 1.82 -1.09 0.70 -4.63 121.20 122.47 1jva s ILE 379 Ca 0.02 -0.34 -0.06 0.00 -2.23 0.00 0.00 60.65 58.04 1jva s ILE 379 Cb -0.21 -3.23 0.04 0.00 -1.58 0.00 0.00 42.46 37.49 1jva s ILE 379 CO 0.03 0.16 0.63 0.29 -1.23 0.00 0.00 174.94 174.83 1jva n LYS 380 N 4.96 -3.96 -0.55 2.79 5.02 -1.26 -0.88 118.16 124.28 1jva n LYS 380 Ca -0.15 0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.62 1jva n LYS 380 Cb 0.50 -4.92 0.00 0.00 -0.02 0.00 0.00 35.03 30.59 1jva n LYS 380 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jva n GLY 381 N -1.75 1.45 3.24 0.72 0.00 -1.26 -5.02 105.19 102.56 1jva n GLY 381 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 1jva n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jva s VAL 382 N -3.38 2.61 0.07 1.61 1.01 -0.06 -5.11 120.40 117.15 1jva s VAL 382 Ca 0.00 -0.78 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1jva s VAL 382 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1jva s VAL 382 CO 0.00 0.51 0.95 -1.61 0.00 0.00 0.00 175.10 174.95 1jva s GLU 383 N 0.99 4.64 0.15 2.72 2.02 -1.26 -0.21 118.70 127.74 1jva s GLU 383 Ca -0.02 1.41 0.07 0.00 0.02 0.00 0.00 54.97 56.45 1jva s GLU 383 Cb -0.15 -3.41 -0.04 0.00 0.10 0.00 0.00 34.13 30.64 1jva s GLU 383 CO -0.03 0.13 -0.15 0.71 0.02 0.00 0.00 175.26 175.93 1jva s TYR 384 N 0.35 1.57 -0.20 1.61 1.51 0.11 -0.84 117.35 121.46 1jva s TYR 384 Ca 0.48 -0.54 -0.13 0.00 -1.01 0.00 0.00 57.07 55.87 1jva s TYR 384 Cb -0.22 -0.79 -0.05 0.00 -0.11 0.00 0.00 41.96 40.79 1jva s TYR 384 CO 0.29 0.23 0.25 -0.06 -1.11 0.00 0.00 175.55 175.14 1jva s PHE 385 N -2.30 3.38 -0.05 2.71 0.08 0.23 -2.01 117.98 120.01 1jva s PHE 385 Ca 0.13 0.43 0.05 0.00 0.12 0.00 0.00 56.93 57.66 1jva s PHE 385 Cb -0.04 -2.34 -0.00 0.00 -0.57 0.00 0.00 43.02 40.07 1jva s PHE 385 CO 0.04 0.12 -0.20 -2.00 -0.10 0.00 0.00 175.22 173.09 1jva s GLU 386 N 0.88 2.08 -0.21 0.44 2.12 0.56 -0.14 118.70 124.42 1jva s GLU 386 Ca 0.13 -0.71 0.01 0.00 0.36 0.00 0.00 54.97 54.76 1jva s GLU 386 Cb -0.13 -1.78 0.03 0.00 0.26 0.00 0.00 34.13 32.52 1jva s GLU 386 CO 0.04 0.28 -0.16 0.08 -0.54 0.00 0.00 175.26 174.96 1jva s VAL 387 N 0.01 2.17 -0.18 3.70 1.01 0.11 -0.74 120.40 126.48 1jva s VAL 387 Ca -0.05 -1.18 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 1jva s VAL 387 Cb -0.13 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1jva s VAL 387 CO 0.03 0.32 0.06 -0.63 0.00 0.00 0.00 175.10 174.88 1jva s ILE 388 N 1.23 4.78 0.12 2.22 1.01 -0.50 -1.20 121.20 128.85 1jva s ILE 388 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 60.65 60.61 1jva s ILE 388 Cb -0.16 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1jva s ILE 388 CO -0.10 0.46 0.01 0.42 0.00 0.00 0.00 174.94 175.73 1jva s THR 389 N 0.42 0.33 -0.23 2.92 -4.23 0.16 -2.22 115.64 112.78 1jva s THR 389 Ca 0.03 -1.91 -0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1jva s THR 389 Cb -0.12 -1.90 -0.02 0.00 1.34 0.00 0.00 72.50 71.79 1jva s THR 389 CO 0.00 -0.64 0.04 -0.36 -0.54 0.00 0.00 174.62 173.12 1jva s PHE 390 N -3.88 3.06 0.09 3.99 0.40 -0.98 0.82 117.98 121.49 1jva s PHE 390 Ca 0.19 -0.51 -0.09 0.00 -0.60 0.00 0.00 56.93 55.92 1jva s PHE 390 Cb 0.07 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.42 1jva s PHE 390 CO -0.01 -0.35 0.21 -1.83 0.70 0.00 0.00 175.22 173.93 1jva s GLU 391 N 1.43 0.87 0.02 0.44 -1.05 -0.54 -4.45 118.70 115.43 1jva s GLU 391 Ca 0.05 -0.94 -0.30 0.00 -0.15 0.00 0.00 54.97 53.63 1jva s GLU 391 Cb -0.15 0.35 -0.06 0.00 -0.44 0.00 0.00 34.13 33.84 1jva s GLU 391 CO 0.02 -0.28 1.34 -1.64 0.95 0.00 0.00 175.26 175.65 1jva s MET 392 N -3.86 4.32 0.00 -4.83 -1.94 -1.26 -0.23 119.30 111.50 1jva s MET 392 Ca 0.05 1.92 0.00 0.00 -1.71 0.00 0.00 55.69 55.95 1jva s MET 392 Cb 0.05 -3.47 0.00 0.00 2.01 0.00 0.00 34.83 33.41 1jva s MET 392 CO -0.11 -0.48 0.00 0.41 -0.01 0.00 0.00 175.02 174.83 1jva n GLY 393 N 3.51 5.31 3.29 -0.03 0.00 0.33 -4.89 105.19 112.71 1jva n GLY 393 Ca 0.12 -1.51 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 1jva n GLY 393 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jva s GLN 394 N 0.69 1.16 -0.25 1.61 -0.21 -1.26 -1.89 119.66 119.50 1jva s GLN 394 Ca 0.00 -1.43 -0.10 0.00 0.02 0.00 0.00 55.36 53.85 1jva s GLN 394 Cb 0.00 -0.93 0.10 0.00 1.00 0.00 0.00 33.01 33.18 1jva s GLN 394 CO 0.00 0.16 0.57 0.21 -2.12 0.00 0.00 175.29 174.10 1jva s LYS 395 N -3.32 0.51 0.06 2.91 2.47 -0.97 -4.94 119.74 116.46 1jva s LYS 395 Ca 0.16 1.22 -0.31 0.00 -1.56 0.00 0.00 55.97 55.49 1jva s LYS 395 Cb -0.01 0.49 -0.07 0.00 -1.46 0.00 0.00 37.83 36.77 1jva s LYS 395 CO 0.04 -0.20 1.42 0.21 0.16 0.00 0.00 175.35 176.98 1jva s LYS 396 N 2.42 4.29 0.42 4.03 2.20 -1.26 -2.35 119.74 129.49 1jva s LYS 396 Ca -0.06 2.05 -0.03 0.00 -0.36 0.00 0.00 55.97 57.57 1jva s LYS 396 Cb -0.10 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 1jva s LYS 396 CO -0.17 -0.52 0.68 0.00 -0.36 0.00 0.00 175.35 174.99 1jva s ALA 397 N 1.78 3.52 0.36 3.13 0.00 0.38 -4.95 121.76 125.99 1jva s ALA 397 Ca 0.65 -0.66 0.17 0.00 0.00 0.00 0.00 51.96 52.12 1jva s ALA 397 Cb -0.35 -2.39 1.10 0.00 0.00 0.00 0.00 23.12 21.48 1jva s ALA 397 CO 0.29 -0.20 1.70 -1.35 0.00 0.00 0.00 175.76 176.20 1jva h PRO 398 N 0.49 0.35 -0.53 0.00 0.11 -1.94 0.65 132.00 131.13 1jva h PRO 398 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jva h PRO 398 Cb 1.21 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jva h PRO 398 CO 0.62 0.23 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 1jva n ASP 399 N -4.86 1.88 0.00 -2.05 5.68 -1.26 -4.87 116.55 111.07 1jva n ASP 399 Ca 0.30 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1jva n ASP 399 Cb 0.97 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 40.61 1jva n ASP 399 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jva n GLY 400 N 0.58 1.33 3.79 6.12 0.00 0.23 -5.02 105.19 112.21 1jva n GLY 400 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 1jva n GLY 400 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jva s ARG 401 N -0.02 3.46 -0.35 1.61 0.52 -1.25 -4.66 118.95 118.26 1jva s ARG 401 Ca 0.00 1.41 -0.18 0.00 -0.52 0.00 0.00 55.73 56.44 1jva s ARG 401 Cb 0.00 -2.04 -0.00 0.00 0.52 0.00 0.00 34.95 33.43 1jva s ARG 401 CO 0.00 -0.72 0.51 0.42 0.02 0.00 0.00 175.30 175.53 1jva s ILE 402 N -2.04 5.02 -0.18 1.52 -1.09 -1.26 -0.47 121.20 122.69 1jva s ILE 402 Ca 0.68 0.30 -0.06 0.00 -2.23 0.00 0.00 60.65 59.34 1jva s ILE 402 Cb -0.19 -3.97 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1jva s ILE 402 CO 0.28 -0.23 0.03 -0.69 -1.23 0.00 0.00 174.94 173.09 1jva s VAL 403 N 2.38 4.39 -0.37 2.92 1.01 -0.99 -4.96 120.40 124.78 1jva s VAL 403 Ca 0.18 -0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 1jva s VAL 403 Cb -0.15 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.26 1jva s VAL 403 CO 0.13 0.46 0.71 -0.70 0.00 0.00 0.00 175.10 175.70 1jva s GLU 404 N 0.54 3.66 0.06 2.72 2.12 -1.26 -2.30 118.70 124.23 1jva s GLU 404 Ca 0.01 0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 1jva s GLU 404 Cb -0.13 -3.83 -0.02 0.00 0.26 0.00 0.00 34.13 30.40 1jva s GLU 404 CO 0.02 -0.84 0.07 -0.48 -0.54 0.00 0.00 175.26 173.49 1jva s LEU 405 N 2.93 1.99 0.24 2.70 0.05 -0.79 -4.95 118.68 120.86 1jva s LEU 405 Ca 0.28 -0.76 -0.30 0.00 0.05 0.00 0.00 54.13 53.40 1jva s LEU 405 Cb -0.14 0.55 -0.10 0.00 -2.05 0.00 0.00 46.19 44.45 1jva s LEU 405 CO 0.17 -0.60 1.36 -0.69 -0.55 0.00 0.00 176.35 176.03 1jva s VAL 406 N -3.49 2.89 0.09 1.48 1.01 -1.26 -0.51 120.40 120.62 1jva s VAL 406 Ca 0.03 0.77 0.04 0.00 0.00 0.00 0.00 61.98 62.82 1jva s VAL 406 Cb 0.04 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.90 1jva s VAL 406 CO -0.09 0.13 -0.11 -0.54 0.00 0.00 0.00 175.10 174.49 1jva s LYS 407 N -0.53 0.84 -0.43 2.72 1.02 0.68 -4.79 119.74 119.24 1jva s LYS 407 Ca 0.56 -1.10 -0.21 0.00 0.02 0.00 0.00 55.97 55.24 1jva s LYS 407 Cb -0.39 -0.61 0.02 0.00 -0.52 0.00 0.00 37.83 36.33 1jva s LYS 407 CO 0.43 0.11 0.65 -2.00 -0.92 0.00 0.00 175.35 173.62 1jva s GLU 408 N -2.49 3.36 -0.02 1.68 2.12 -1.26 -1.46 118.70 120.63 1jva s GLU 408 Ca 0.03 -0.28 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1jva s GLU 408 Cb -0.05 -3.93 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 1jva s GLU 408 CO 0.01 -0.97 0.04 0.08 -0.54 0.00 0.00 175.26 173.87 1jva s VAL 409 N 2.85 4.45 -0.03 3.70 1.01 0.24 -4.93 120.40 127.69 1jva s VAL 409 Ca 0.24 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1jva s VAL 409 Cb -0.14 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 1jva s VAL 409 CO 0.19 0.40 -0.18 -0.55 0.00 0.00 0.00 175.10 174.96 1jva s SER 410 N -1.54 2.14 -0.02 3.32 0.15 -1.26 0.37 113.70 116.86 1jva s SER 410 Ca 0.20 -0.34 -0.00 0.00 0.70 0.00 0.00 55.95 56.51 1jva s SER 410 Cb -0.12 -0.43 0.03 0.00 -1.71 0.00 0.00 66.02 63.80 1jva s SER 410 CO 0.11 0.19 0.04 -0.54 1.20 0.00 0.00 173.24 174.23 1jva s LYS 411 N -0.18 -0.03 0.01 5.44 1.02 -0.34 -4.99 119.74 120.66 1jva s LYS 411 Ca 0.01 0.20 0.03 0.00 0.02 0.00 0.00 55.97 56.24 1jva s LYS 411 Cb -0.09 -0.24 -0.01 0.00 -0.52 0.00 0.00 37.83 36.96 1jva s LYS 411 CO 0.01 -0.17 -0.11 -1.54 -0.92 0.00 0.00 175.35 172.62 1jva s SER 412 N 1.08 1.26 0.01 2.83 1.04 -1.26 0.06 113.70 118.71 1jva s SER 412 Ca -0.09 -0.31 0.05 0.00 0.48 0.00 0.00 55.95 56.08 1jva s SER 412 Cb -0.13 -0.10 -0.01 0.00 0.10 0.00 0.00 66.02 65.88 1jva s SER 412 CO -0.03 0.05 -0.14 -0.31 0.98 0.00 0.00 173.24 173.78 1jva s TYR 413 N -0.57 1.27 0.42 5.02 2.02 0.80 -4.91 117.35 121.40 1jva s TYR 413 Ca 0.01 -0.28 -0.25 0.00 -0.37 0.00 0.00 57.07 56.18 1jva s TYR 413 Cb -0.06 -0.80 -0.10 0.00 -0.40 0.00 0.00 41.96 40.61 1jva s TYR 413 CO 0.00 -0.00 1.29 -2.30 -1.57 0.00 0.00 175.55 172.97 1jva n PRO 414 N 2.46 1.97 0.01 -1.71 -0.02 -1.26 0.74 135.00 137.19 1jva n PRO 414 Ca -0.15 0.70 0.03 0.00 -2.02 0.00 0.00 63.50 62.06 1jva n PRO 414 Cb 0.55 -2.41 0.39 0.00 -0.02 0.00 0.00 33.50 32.01 1jva n PRO 414 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jva h ILE 415 N 2.12 1.13 -0.74 4.25 1.08 -1.30 -2.55 117.51 121.50 1jva h ILE 415 Ca -0.48 -0.36 0.18 0.00 -0.39 0.00 0.00 64.86 63.81 1jva h ILE 415 Cb 1.29 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.65 1jva h ILE 415 CO 0.60 0.15 0.51 0.28 -0.69 0.00 0.00 178.15 179.00 1jva h SER 416 N 0.52 0.22 0.62 1.72 0.02 -1.90 0.25 113.55 115.01 1jva h SER 416 Ca 0.13 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1jva h SER 416 Cb 0.05 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1jva h SER 416 CO -0.02 0.10 -0.07 -0.62 -1.14 0.00 0.00 176.83 175.09 1jva n GLU 417 N -4.42 0.35 0.00 3.45 1.02 -0.96 -5.04 120.64 115.03 1jva n GLU 417 Ca 0.15 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1jva n GLU 417 Cb 0.65 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.58 1jva n GLU 417 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jva n GLY 418 N 1.36 -0.56 0.16 0.62 0.00 0.89 -4.85 105.19 102.81 1jva n GLY 418 Ca 0.12 -1.69 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 1jva n GLY 418 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jva h PRO 419 N 0.00 0.57 -0.19 1.61 0.13 -1.92 -3.41 132.00 128.79 1jva h PRO 419 Ca 0.00 -0.76 0.02 0.00 -0.87 0.00 0.00 66.00 64.39 1jva h PRO 419 Cb 0.00 0.25 -0.02 0.00 0.13 0.00 0.00 31.00 31.36 1jva h PRO 419 CO 0.00 1.34 -0.11 0.39 -0.23 0.00 0.00 178.00 179.38 1jva n GLU 420 N -3.76 -0.09 -0.09 0.86 1.02 -1.26 0.91 120.64 118.24 1jva n GLU 420 Ca -0.13 0.32 -0.07 0.00 -0.02 0.00 0.00 57.16 57.26 1jva n GLU 420 Cb 0.98 -0.47 -0.01 0.00 -0.02 0.00 0.00 31.44 31.92 1jva n GLU 420 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1jva h ARG 421 N 0.00 -0.21 -0.12 3.49 2.43 -1.92 0.89 114.38 118.94 1jva h ARG 421 Ca 0.03 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 1jva h ARG 421 Cb 0.08 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1jva h ARG 421 CO -0.18 -0.14 0.09 0.00 -1.51 0.00 0.00 179.97 178.23 1jva h ALA 422 N 0.88 2.05 0.20 2.80 0.00 0.27 -1.35 119.26 124.10 1jva h ALA 422 Ca 0.17 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.76 1jva h ALA 422 Cb 0.48 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.31 1jva h ALA 422 CO -0.47 -0.15 -1.41 -0.91 0.00 0.00 0.00 179.25 176.32 1jva h ASN 423 N 0.00 0.65 0.11 0.00 2.35 0.65 -1.15 115.58 118.19 1jva h ASN 423 Ca 0.06 -0.71 0.00 0.00 -0.55 0.00 0.00 56.30 55.09 1jva h ASN 423 Cb 0.23 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1jva h ASN 423 CO -0.00 1.56 0.00 -0.62 -1.65 0.00 0.00 177.43 176.72 1jva n GLU 424 N -3.62 0.00 -0.11 0.81 1.02 0.27 0.84 120.64 119.86 1jva n GLU 424 Ca -0.14 0.43 -0.22 0.00 -0.02 0.00 0.00 57.16 57.21 1jva n GLU 424 Cb 1.07 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.92 1jva n GLU 424 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1jva n LEU 425 N -1.48 1.72 0.25 -4.62 7.94 -0.99 -3.48 117.00 116.33 1jva n LEU 425 Ca 0.01 0.30 0.07 0.00 -1.11 0.00 0.00 56.01 55.28 1jva n LEU 425 Cb 0.04 -0.70 0.59 0.00 0.53 0.00 0.00 43.42 43.88 1jva n LEU 425 CO 0.03 0.31 0.99 0.58 -1.11 0.00 0.00 177.39 178.19 1jva h VAL 426 N -0.86 1.02 0.00 1.96 2.07 -0.79 -0.96 116.25 118.69 1jva h VAL 426 Ca -0.47 -0.29 -0.16 0.00 0.82 0.00 0.00 66.70 66.60 1jva h VAL 426 Cb 1.38 1.16 0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1jva h VAL 426 CO -0.28 0.08 -0.61 -0.08 0.02 0.00 0.00 177.57 176.70 1jva h GLU 427 N 0.00 0.41 0.00 1.57 4.22 0.23 -2.87 114.58 118.14 1jva h GLU 427 Ca -0.00 -0.44 -0.05 0.00 0.08 0.00 0.00 59.36 58.94 1jva h GLU 427 Cb 0.15 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1jva h GLU 427 CO 0.01 1.11 -0.26 0.66 -2.18 0.00 0.00 179.01 178.35 1jva h SER 428 N -0.11 0.00 0.16 1.04 4.64 -1.47 -2.92 113.55 114.89 1jva h SER 428 Ca -0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 1jva h SER 428 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1jva h SER 428 CO 0.12 0.26 -0.08 0.22 -0.87 0.00 0.00 176.83 176.48 1jva h TYR 429 N 0.00 -0.20 -0.02 4.77 3.20 -1.23 -2.10 116.97 121.39 1jva h TYR 429 Ca -0.00 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.87 1jva h TYR 429 Cb 0.55 0.07 -0.00 0.00 1.54 0.00 0.00 36.73 38.88 1jva h TYR 429 CO 0.00 0.23 0.06 0.00 -1.64 0.00 0.00 178.16 176.81 1jva h ARG 430 N -0.85 0.00 -0.04 1.82 3.08 -1.47 -1.61 114.38 115.31 1jva h ARG 430 Ca -0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1jva h ARG 430 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 1jva h ARG 430 CO 0.04 0.00 -0.07 0.36 -1.07 0.00 0.00 179.97 179.22 1jva n LYS 431 N -3.30 1.52 0.05 0.04 2.85 -1.11 -4.55 118.16 113.66 1jva n LYS 431 Ca -0.02 -2.73 0.11 0.00 -1.05 0.00 0.00 58.31 54.62 1jva n LYS 431 Cb 0.14 -1.56 0.06 0.00 -0.65 0.00 0.00 35.03 33.02 1jva n LYS 431 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jva n ALA 432 N -1.28 3.12 -3.18 0.58 0.00 -0.61 -4.91 120.51 114.24 1jva n ALA 432 Ca 0.17 -0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.15 1jva n ALA 432 Cb 0.69 -1.05 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 1jva n ALA 432 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jva s SER 433 N -4.21 -0.27 0.00 0.00 0.15 -1.26 -5.01 113.70 103.11 1jva s SER 433 Ca 0.04 0.48 0.29 0.00 0.70 0.00 0.00 55.95 57.46 1jva s SER 433 Cb 0.13 0.54 1.30 0.00 -1.71 0.00 0.00 66.02 66.28 1jva s SER 433 CO 0.78 -0.15 1.91 -0.46 1.20 0.00 0.00 173.24 176.51 1jva n ASN 434 N 2.67 0.32 -4.83 5.45 6.94 -1.26 -4.82 115.26 119.73 1jva n ASN 434 Ca -0.14 -0.42 -0.26 0.00 -0.02 0.00 0.00 54.58 53.74 1jva n ASN 434 Cb 0.58 -0.13 -0.05 0.00 -2.36 0.00 0.00 39.78 37.81 1jva n ASN 434 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1jva s LYS 435 N -2.53 3.00 0.00 -3.83 1.02 -1.26 -5.01 119.74 111.13 1jva s LYS 435 Ca 0.28 -0.82 0.22 0.00 0.02 0.00 0.00 55.97 55.67 1jva s LYS 435 Cb 0.20 -2.70 0.60 0.00 -0.52 0.00 0.00 37.83 35.40 1jva s LYS 435 CO 0.48 0.49 1.50 0.00 -0.92 0.00 0.00 175.35 176.90 1jva n ALA 436 N -0.40 2.39 -3.08 5.17 0.00 -1.26 -4.94 120.51 118.39 1jva n ALA 436 Ca -0.08 -1.19 -0.10 0.00 0.00 0.00 0.00 53.44 52.07 1jva n ALA 436 Cb 0.55 -0.94 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 1jva n ALA 436 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1jva s TYR 437 N -1.13 -0.12 -0.05 0.00 -0.85 -1.26 -1.59 117.35 112.35 1jva s TYR 437 Ca 0.46 -0.21 -0.14 0.00 -0.52 0.00 0.00 57.07 56.66 1jva s TYR 437 Cb 0.24 0.28 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 1jva s TYR 437 CO 0.32 -0.78 0.36 -0.06 -1.52 0.00 0.00 175.55 173.87 1jva s PHE 438 N -3.84 3.64 -0.30 -3.49 0.08 0.11 -4.80 117.98 109.39 1jva s PHE 438 Ca 0.06 0.86 -0.05 0.00 0.12 0.00 0.00 56.93 57.92 1jva s PHE 438 Cb 0.01 -2.28 0.02 0.00 -0.57 0.00 0.00 43.02 40.20 1jva s PHE 438 CO -0.08 0.54 0.05 -1.21 -0.10 0.00 0.00 175.22 174.42 1jva s GLU 439 N -0.63 2.90 0.10 0.44 2.02 -1.26 -2.45 118.70 119.82 1jva s GLU 439 Ca 0.22 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 54.22 1jva s GLU 439 Cb -0.15 -3.30 0.01 0.00 0.10 0.00 0.00 34.13 30.78 1jva s GLU 439 CO 0.10 -0.49 0.16 -2.67 0.02 0.00 0.00 175.26 172.38 1jva n TRP 440 N 4.80 -0.89 -3.97 1.61 4.27 -0.65 -5.05 117.44 117.57 1jva n TRP 440 Ca -0.14 -0.63 -0.10 0.00 -3.89 0.00 0.00 57.50 52.73 1jva n TRP 440 Cb 0.47 0.18 -0.12 0.00 -1.36 0.00 0.00 31.31 30.48 1jva n TRP 440 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1jva s THR 441 N -2.59 0.13 -0.05 -1.67 -4.23 -1.26 -1.15 115.64 104.82 1jva s THR 441 Ca 0.07 -0.74 -0.04 0.00 -1.18 0.00 0.00 61.69 59.81 1jva s THR 441 Cb -0.01 -0.24 0.02 0.00 1.34 0.00 0.00 72.50 73.61 1jva s THR 441 CO 0.05 -0.38 0.13 -0.51 -0.54 0.00 0.00 174.62 173.37 1jva s ILE 442 N -1.15 -0.01 0.35 2.99 2.07 -0.83 -4.90 121.20 119.73 1jva s ILE 442 Ca -0.12 0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 58.87 1jva s ILE 442 Cb -0.08 -0.19 -0.09 0.00 0.13 0.00 0.00 42.46 42.23 1jva s ILE 442 CO -0.01 0.01 1.18 -1.61 -1.91 0.00 0.00 174.94 172.60 1jva s GLU 443 N 0.20 4.30 0.16 3.50 2.02 -1.26 0.28 118.70 127.90 1jva s GLU 443 Ca -0.01 1.92 -0.28 0.00 0.02 0.00 0.00 54.97 56.62 1jva s GLU 443 Cb -0.02 -2.92 -0.01 0.00 0.10 0.00 0.00 34.13 31.28 1jva s GLU 443 CO -0.01 -0.13 1.56 0.00 0.02 0.00 0.00 175.26 176.70 1jva h ALA 444 N 3.16 -0.45 -0.81 5.21 0.00 -1.19 0.17 119.26 125.34 1jva h ALA 444 Ca -0.48 0.09 0.23 0.00 0.00 0.00 0.00 54.91 54.74 1jva h ALA 444 Cb 1.23 1.05 -0.04 0.00 0.00 0.00 0.00 17.79 20.03 1jva h ALA 444 CO 0.64 -0.89 0.57 0.07 0.00 0.00 0.00 179.25 179.64 1jva h ARG 445 N -0.24 0.06 -0.00 0.00 0.11 -1.73 0.02 114.38 112.60 1jva h ARG 445 Ca 0.16 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.23 1jva h ARG 445 Cb 0.56 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.62 1jva h ARG 445 CO -0.70 0.04 -0.12 -0.25 0.10 0.00 0.00 179.97 179.04 1jva n ASP 446 N -4.33 0.29 0.30 0.08 8.00 0.56 -4.04 116.55 117.40 1jva n ASP 446 Ca 0.17 -0.21 0.16 0.00 0.71 0.00 0.00 54.79 55.62 1jva n ASP 446 Cb 0.84 -0.16 0.93 0.00 -0.02 0.00 0.00 41.12 42.70 1jva n ASP 446 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1jva h LEU 447 N 0.26 0.00 -0.69 0.64 5.85 -0.64 -1.69 115.31 119.04 1jva h LEU 447 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jva h LEU 447 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1jva h LEU 447 CO 0.00 0.04 0.00 0.77 -0.34 0.00 0.00 178.44 178.91 1jva h SER 448 N 0.00 0.00 1.05 1.25 4.64 -1.77 -3.12 113.55 115.59 1jva h SER 448 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jva h SER 448 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1jva h SER 448 CO 0.00 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.89 1jva h LEU 449 N 0.00 0.00 -9.81 5.97 3.38 -1.59 -3.45 115.31 109.81 1jva h LEU 449 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 1jva h LEU 449 Cb 0.61 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.41 1jva h LEU 449 CO 0.00 0.00 0.67 -0.76 0.09 0.00 0.00 178.44 178.44 1jva s LEU 450 N -6.08 4.42 0.97 1.67 1.43 -1.18 -5.01 118.68 114.90 1jva s LEU 450 Ca 0.02 2.62 -0.11 0.00 -1.03 0.00 0.00 54.13 55.63 1jva s LEU 450 Cb 0.09 -3.63 0.18 0.00 0.03 0.00 0.00 46.19 42.85 1jva s LEU 450 CO 0.54 -0.57 1.10 -0.83 0.23 0.00 0.00 176.35 176.83 1jva s GLY 451 N -0.12 1.64 0.26 -3.19 0.00 -1.26 -4.68 107.32 99.97 1jva s GLY 451 Ca 0.53 0.29 -0.05 0.00 0.00 0.00 0.00 44.72 45.49 1jva s GLY 451 CO 0.47 0.80 1.93 1.48 0.00 0.00 0.00 173.10 177.78 1jva h SER 452 N -1.99 1.11 0.19 1.64 4.64 -1.97 -1.01 113.55 116.16 1jva h SER 452 Ca -0.49 -0.04 -0.17 0.00 -0.47 0.00 0.00 61.79 60.62 1jva h SER 452 Cb 1.29 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1jva h SER 452 CO 0.46 0.82 -0.65 0.45 -0.87 0.00 0.00 176.83 177.03 1jva h HIS 453 N 1.31 0.57 0.02 4.77 3.86 -2.00 -2.73 115.15 120.95 1jva h HIS 453 Ca 0.35 -0.23 -0.19 0.00 -1.16 0.00 0.00 60.37 59.14 1jva h HIS 453 Cb -0.13 -0.10 0.02 0.00 1.06 0.00 0.00 27.41 28.26 1jva h HIS 453 CO 0.00 0.96 -0.77 0.28 0.86 0.00 0.00 177.93 179.26 1jva h VAL 454 N 0.31 1.39 -0.32 2.45 2.07 -1.89 -2.89 116.25 117.37 1jva h VAL 454 Ca -0.02 -2.19 0.04 0.00 0.82 0.00 0.00 66.70 65.36 1jva h VAL 454 Cb 1.21 2.61 -0.04 0.00 -1.52 0.00 0.00 31.29 33.55 1jva h VAL 454 CO 0.11 0.65 0.08 -0.09 0.02 0.00 0.00 177.57 178.34 1jva h ARG 455 N 0.01 0.19 0.00 1.57 9.65 -1.24 -0.35 114.38 124.21 1jva h ARG 455 Ca -0.10 -0.01 -0.05 0.00 -1.10 0.00 0.00 59.98 58.72 1jva h ARG 455 Cb 1.48 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.01 1jva h ARG 455 CO 0.15 0.13 -0.22 0.87 2.80 0.00 0.00 179.97 183.70 1jva h LYS 456 N 0.20 0.00 -0.00 0.20 1.57 -1.56 -2.73 116.57 114.24 1jva h LYS 456 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1jva h LYS 456 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1jva h LYS 456 CO -0.18 0.22 -0.50 0.00 -0.57 0.00 0.00 179.45 178.42 1jva n ALA 457 N -2.27 3.55 -2.49 3.86 0.00 -0.82 -4.88 120.51 117.46 1jva n ALA 457 Ca -0.01 -0.36 -0.40 0.00 0.00 0.00 0.00 53.44 52.67 1jva n ALA 457 Cb 0.37 -1.11 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 1jva n ALA 457 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jva s THR 458 N -2.97 4.81 0.09 0.00 2.01 -0.20 -4.30 115.64 115.07 1jva s THR 458 Ca 0.12 1.63 0.00 0.00 0.31 0.00 0.00 61.69 63.75 1jva s THR 458 Cb 0.18 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 1jva s THR 458 CO 0.69 0.32 -0.04 -0.72 -0.69 0.00 0.00 174.62 174.19 1jva s TYR 459 N 0.23 0.77 0.37 4.92 1.13 -0.07 -4.69 117.35 120.01 1jva s TYR 459 Ca 0.40 -1.01 0.05 0.00 -1.41 0.00 0.00 57.07 55.09 1jva s TYR 459 Cb -0.20 -0.48 0.07 0.00 -1.10 0.00 0.00 41.96 40.25 1jva s TYR 459 CO 0.22 -0.27 0.52 1.04 -2.51 0.00 0.00 175.55 174.55 1jva n GLN 460 N -0.01 0.63 -3.95 -3.49 6.02 -0.88 -0.61 117.38 115.09 1jva n GLN 460 Ca -0.12 -1.85 -0.08 0.00 -0.01 0.00 0.00 57.00 54.94 1jva n GLN 460 Cb 0.61 -0.21 -0.09 0.00 1.02 0.00 0.00 30.24 31.58 1jva n GLN 460 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1jva s THR 461 N -1.33 0.16 -0.04 5.09 -4.23 -1.26 -1.60 115.64 112.43 1jva s THR 461 Ca 0.38 -1.33 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 1jva s THR 461 Cb -0.03 -1.21 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1jva s THR 461 CO 0.24 -0.73 -0.12 -0.72 -0.54 0.00 0.00 174.62 172.75 1jva s TYR 462 N -3.36 1.25 0.12 3.99 -0.85 0.74 -1.01 117.35 118.23 1jva s TYR 462 Ca 0.01 -0.37 -0.04 0.00 -0.52 0.00 0.00 57.07 56.16 1jva s TYR 462 Cb 0.03 -0.89 -0.05 0.00 0.38 0.00 0.00 41.96 41.43 1jva s TYR 462 CO -0.08 -0.16 0.33 0.00 -1.52 0.00 0.00 175.55 174.12 1jva s ALA 463 N 0.29 3.85 0.93 9.51 0.00 -0.25 -1.48 121.76 134.61 1jva s ALA 463 Ca -0.06 -0.63 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1jva s ALA 463 Cb -0.11 -2.05 0.15 0.00 0.00 0.00 0.00 23.12 21.11 1jva s ALA 463 CO 0.02 0.71 1.09 -1.25 0.00 0.00 0.00 175.76 176.33 1jva s PRO 464 N -2.59 1.01 -0.49 0.00 0.04 -1.26 -4.84 135.00 126.86 1jva s PRO 464 Ca 0.39 0.94 -0.17 0.00 0.04 0.00 0.00 61.00 62.20 1jva s PRO 464 Cb -0.12 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.71 1jva s PRO 464 CO 0.25 -2.45 0.49 0.42 0.04 0.00 0.00 177.00 175.76 1jva s ILE 465 N -2.83 5.09 -0.34 0.56 1.01 0.29 -4.90 121.20 120.07 1jva s ILE 465 Ca 0.64 -0.85 0.23 0.00 0.00 0.00 0.00 60.65 60.68 1jva s ILE 465 Cb -0.19 -4.20 0.14 0.00 0.01 0.00 0.00 42.46 38.22 1jva s ILE 465 CO 0.58 -0.68 1.30 -0.07 0.00 0.00 0.00 174.94 176.07 1jva h LEU 466 N 9.15 0.00-10.03 2.97 3.38 -1.86 -3.46 115.31 115.46 1jva h LEU 466 Ca -0.28 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.15 1jva h LEU 466 Cb 1.10 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.96 1jva h LEU 466 CO 0.92 0.00 0.57 -0.47 0.09 0.00 0.00 178.44 179.55 1jva s TYR 467 N -3.29 2.49 -0.17 1.13 5.04 -1.26 -4.92 117.35 116.37 1jva s TYR 467 Ca 0.03 1.42 -0.02 0.00 -2.44 0.00 0.00 57.07 56.07 1jva s TYR 467 Cb 0.08 -3.66 0.05 0.00 0.35 0.00 0.00 41.96 38.78 1jva s TYR 467 CO 0.73 -2.43 0.00 -1.21 -1.34 0.00 0.00 175.55 171.31 1jva s GLU 468 N -2.81 0.89 0.00 4.97 2.02 -1.26 -4.53 118.70 117.98 1jva s GLU 468 Ca 0.68 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 55.28 1jva s GLU 468 Cb -0.37 -1.92 0.00 0.00 0.10 0.00 0.00 34.13 31.95 1jva s GLU 468 CO 0.44 -0.53 0.00 0.09 0.02 0.00 0.00 175.26 175.28 1jva n ASN 469 N 5.00 -0.06 -0.56 -0.19 3.02 0.36 -4.79 115.26 118.05 1jva n ASN 469 Ca -0.09 -0.39 -0.00 0.00 -0.03 0.00 0.00 54.58 54.07 1jva n ASN 469 Cb 0.48 0.00 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 1jva n ASN 469 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jva n ASP 470 N -1.26 0.00 -0.34 6.41 8.00 -1.26 -3.51 116.55 124.59 1jva n ASP 470 Ca 0.00 -1.56 0.22 0.00 0.71 0.00 0.00 54.79 54.16 1jva n ASP 470 Cb 0.00 -0.10 0.46 0.00 -0.02 0.00 0.00 41.12 41.46 1jva n ASP 470 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1jva h HIS 471 N 0.04 0.89 0.07 1.24 2.76 -1.94 1.26 115.15 119.46 1jva h HIS 471 Ca -0.03 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1jva h HIS 471 Cb 1.24 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.96 1jva h HIS 471 CO -0.08 -0.04 -0.03 0.35 -1.30 0.00 0.00 177.93 176.83 1jva h PHE 472 N 0.43 -0.09 0.54 5.26 3.57 -1.96 -2.65 116.94 122.04 1jva h PHE 472 Ca 0.68 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.15 1jva h PHE 472 Cb 1.52 0.03 0.01 0.00 2.79 0.00 0.00 35.95 40.30 1jva h PHE 472 CO -0.01 0.44 -0.26 0.35 -2.23 0.00 0.00 178.31 176.60 1jva h PHE 473 N -0.68 -0.67 -0.40 0.41 3.04 -1.25 -2.09 116.94 115.30 1jva h PHE 473 Ca -0.01 -0.02 0.12 0.00 3.98 0.00 0.00 57.97 62.04 1jva h PHE 473 Cb 0.56 0.22 -0.02 0.00 2.56 0.00 0.00 35.95 39.28 1jva h PHE 473 CO 0.11 -0.40 0.45 -0.44 -2.02 0.00 0.00 178.31 176.02 1jva h ASP 474 N -0.78 0.00 -0.04 0.41 3.32 0.13 0.19 116.42 119.66 1jva h ASP 474 Ca -0.07 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 1jva h ASP 474 Cb 0.58 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1jva h ASP 474 CO 0.12 0.00 -0.18 0.22 -1.72 0.00 0.00 179.24 177.69 1jva h TYR 475 N 0.00 0.26 -0.49 4.55 3.20 -1.02 -3.14 116.97 120.33 1jva h TYR 475 Ca 0.19 -0.11 0.10 0.00 3.14 0.00 0.00 58.73 62.05 1jva h TYR 475 Cb 1.10 -0.04 -0.10 0.00 1.54 0.00 0.00 36.73 39.22 1jva h TYR 475 CO 0.00 0.80 -0.17 0.52 -1.64 0.00 0.00 178.16 177.67 1jva h MET 476 N -0.35 -0.06 -0.89 1.82 2.86 0.01 0.42 114.93 118.73 1jva h MET 476 Ca -0.01 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.79 1jva h MET 476 Cb 0.82 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.40 1jva h MET 476 CO 0.04 -0.04 0.49 1.96 1.06 0.00 0.00 176.91 180.42 1jva h GLN 477 N -0.06 0.67 0.00 1.72 1.08 -1.51 0.15 115.11 117.16 1jva h GLN 477 Ca 0.24 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 1jva h GLN 477 Cb 0.42 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1jva h GLN 477 CO -0.54 0.44 0.00 0.87 -0.95 0.00 0.00 178.83 178.65 1jva h LYS 478 N 0.69 0.00 0.00 1.46 1.57 -0.89 -3.41 116.57 115.99 1jva h LYS 478 Ca 0.49 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1jva h LYS 478 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 1jva h LYS 478 CO -0.35 0.00 0.00 0.45 -0.57 0.00 0.00 179.45 178.98 1jva n SER 479 N -2.65 0.00 -2.08 0.86 2.88 0.54 -5.01 113.62 108.16 1jva n SER 479 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1jva n SER 479 Cb 0.28 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 1jva n SER 479 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1jva n LYS 480 N 0.00 2.26 -0.04 -1.46 4.76 -1.26 -5.05 118.16 117.37 1jva n LYS 480 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 1jva n LYS 480 Cb 0.00 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.14 1jva n LYS 480 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1jva n PHE 481 N 0.00 0.00 -4.21 2.13 -0.00 -1.26 -4.89 117.46 109.23 1jva n PHE 481 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.20 1jva n PHE 481 Cb 0.00 -0.35 -0.17 0.00 -0.00 0.00 0.00 39.48 38.96 1jva n PHE 481 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.76 173.38 1jva s HIS 482 N -2.17 1.32 -0.28 -5.13 -3.43 -1.26 -5.12 115.29 99.22 1jva s HIS 482 Ca -0.06 -0.55 -0.21 0.00 -0.80 0.00 0.00 55.06 53.44 1jva s HIS 482 Cb 0.02 -1.06 0.08 0.00 -1.43 0.00 0.00 32.58 30.20 1jva s HIS 482 CO 0.27 -0.36 0.76 -1.17 -2.00 0.00 0.00 174.74 172.24 1jva s LEU 483 N 1.19 -0.78 0.93 5.38 2.96 -1.26 -5.16 118.68 121.95 1jva s LEU 483 Ca -0.05 1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 55.07 1jva s LEU 483 Cb -0.14 2.33 -0.10 0.00 0.50 0.00 0.00 46.19 48.78 1jva s LEU 483 CO -0.02 -0.23 -0.39 0.35 -1.32 0.00 0.00 176.35 174.74 1jva n THR 484 N 3.31 0.10 0.31 3.68 -2.24 -1.26 -4.79 114.28 113.38 1jva n THR 484 Ca -0.16 -0.42 0.18 0.00 -2.27 0.00 0.00 64.05 61.38 1jva n THR 484 Cb 0.57 -0.19 0.97 0.00 -2.10 0.00 0.00 70.33 69.58 1jva n THR 484 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 1jva h ILE 485 N -1.02 0.21 -0.95 2.28 6.09 -2.02 -1.54 117.51 120.56 1jva h ILE 485 Ca -0.44 -0.22 -0.50 0.00 -1.37 0.00 0.00 64.86 62.34 1jva h ILE 485 Cb 1.31 1.17 -0.30 0.00 0.47 0.00 0.00 36.82 39.48 1jva h ILE 485 CO 0.28 0.03 0.63 -1.84 -3.07 0.00 0.00 178.15 174.18 1jva n GLU 486 N -3.32 2.19 0.00 2.19 0.28 -1.26 -4.49 120.64 116.23 1jva n GLU 486 Ca -0.02 -2.87 -0.13 0.00 -0.16 0.00 0.00 57.16 53.98 1jva n GLU 486 Cb 0.15 -2.12 -0.10 0.00 1.43 0.00 0.00 31.44 30.80 1jva n GLU 486 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1jva h GLY 487 N 1.14 -0.05 0.57 -1.84 0.00 -1.58 -2.55 103.07 98.76 1jva h GLY 487 Ca 0.61 0.02 0.08 0.00 0.00 0.00 0.00 47.33 48.04 1jva h GLY 487 CO 1.06 -0.02 0.38 -2.55 0.00 0.00 0.00 176.54 175.41 1jva h PRO 488 N -0.56 0.65 0.76 4.80 0.11 -1.84 -1.84 132.00 134.09 1jva h PRO 488 Ca -0.00 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 1jva h PRO 488 Cb 0.51 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 1jva h PRO 488 CO 0.01 0.43 -0.48 -0.22 -0.21 0.00 0.00 178.00 177.53 1jva h LYS 489 N 0.67 -1.13 -0.99 1.05 3.64 -1.87 -1.69 116.57 116.26 1jva h LYS 489 Ca 0.34 0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.92 1jva h LYS 489 Cb 0.29 0.26 -0.09 0.00 -0.41 0.00 0.00 32.23 32.28 1jva h LYS 489 CO -0.23 -0.75 0.62 0.28 -2.27 0.00 0.00 179.45 177.09 1jva h VAL 490 N -1.17 0.91 0.05 2.00 2.07 -1.24 -1.51 116.25 117.35 1jva h VAL 490 Ca -0.10 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1jva h VAL 490 Cb 0.94 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1jva h VAL 490 CO 0.09 0.18 -0.02 0.25 0.02 0.00 0.00 177.57 178.08 1jva h LEU 491 N 0.96 -0.05 -0.88 2.57 5.85 -1.28 -2.25 115.31 120.24 1jva h LEU 491 Ca 0.49 -0.52 0.16 0.00 0.84 0.00 0.00 57.88 58.85 1jva h LEU 491 Cb 0.50 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.44 1jva h LEU 491 CO -0.27 0.52 0.46 0.00 -0.34 0.00 0.00 178.44 178.80 1jva h ALA 492 N 0.23 1.35 0.12 1.25 0.00 -1.10 0.24 119.26 121.35 1jva h ALA 492 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1jva h ALA 492 Cb 0.57 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1jva h ALA 492 CO 0.01 -0.11 -0.06 -0.92 0.00 0.00 0.00 179.25 178.17 1jva h TYR 493 N 0.62 -0.15 -0.66 0.00 3.20 -1.25 -1.14 116.97 117.60 1jva h TYR 493 Ca 0.49 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.35 1jva h TYR 493 Cb 0.73 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.02 1jva h TYR 493 CO -0.09 -0.06 0.37 -0.07 -1.64 0.00 0.00 178.16 176.67 1jva h LEU 494 N -0.19 0.80 -0.99 2.82 3.38 -0.62 -1.39 115.31 119.12 1jva h LEU 494 Ca -0.02 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 1jva h LEU 494 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1jva h LEU 494 CO 0.03 0.64 -0.13 -0.07 0.09 0.00 0.00 178.44 178.99 1jva h LEU 495 N 0.91 0.57 -0.59 1.67 3.38 -0.31 -0.31 115.31 120.64 1jva h LEU 495 Ca 0.23 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1jva h LEU 495 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1jva h LEU 495 CO -0.04 0.73 0.17 1.23 0.09 0.00 0.00 178.44 180.62 1jva h GLY 496 N 0.96 0.99 0.98 0.83 0.00 -0.19 0.62 103.07 107.26 1jva h GLY 496 Ca 0.09 -0.60 -0.04 0.00 0.00 0.00 0.00 47.33 46.78 1jva h GLY 496 CO 0.03 0.56 0.18 1.41 0.00 0.00 0.00 176.54 178.72 1jva h LEU 497 N 0.84 0.76 0.31 3.11 3.38 -0.85 -0.37 115.31 122.49 1jva h LEU 497 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jva h LEU 497 Cb 0.31 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jva h LEU 497 CO -0.00 0.76 -0.16 -0.25 0.09 0.00 0.00 178.44 178.87 1jva h TRP 498 N 0.73 -0.41 -0.93 1.13 7.01 -0.67 -1.86 115.95 120.96 1jva h TRP 498 Ca 0.17 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.25 1jva h TRP 498 Cb 0.26 0.14 -0.07 0.00 -2.10 0.00 0.00 29.16 27.39 1jva h TRP 498 CO 0.01 -0.25 0.60 0.82 -2.79 0.00 0.00 178.44 176.83 1jva h ILE 499 N -0.43 1.01 0.34 2.65 1.08 -0.80 0.15 117.51 121.52 1jva h ILE 499 Ca -0.04 -0.34 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1jva h ILE 499 Cb 0.34 -0.06 -0.00 0.00 -3.07 0.00 0.00 36.82 34.02 1jva h ILE 499 CO 0.06 0.18 -0.24 1.23 -0.69 0.00 0.00 178.15 178.69 1jva h GLY 500 N 0.99 -0.85 -5.20 5.37 0.00 -0.37 -3.40 103.07 99.59 1jva h GLY 500 Ca 0.42 0.36 -0.35 0.00 0.00 0.00 0.00 47.33 47.76 1jva h GLY 500 CO -0.18 -0.29 -1.01 2.09 0.00 0.00 0.00 176.54 177.16 1jva n ASP 501 N -3.79 0.50 -4.63 0.19 5.68 -0.76 -4.76 116.55 108.96 1jva n ASP 501 Ca -0.07 -2.79 -0.25 0.00 -0.50 0.00 0.00 54.79 51.18 1jva n ASP 501 Cb 0.24 -0.13 -0.08 0.00 -1.14 0.00 0.00 41.12 40.01 1jva n ASP 501 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 1jva s GLY 502 N -2.53 1.69 0.49 6.12 0.00 0.52 -1.34 107.32 112.27 1jva s GLY 502 Ca 0.28 -1.52 -0.22 0.00 0.00 0.00 0.00 44.72 43.26 1jva s GLY 502 CO -0.01 -1.56 1.18 1.08 0.00 0.00 0.00 173.10 173.79 1jva s LEU 503 N -3.26 3.93 0.00 0.66 1.43 0.18 -4.93 118.68 116.69 1jva s LEU 503 Ca 0.29 2.34 0.26 0.00 -1.03 0.00 0.00 54.13 55.99 1jva s LEU 503 Cb -0.08 -4.32 1.38 0.00 0.03 0.00 0.00 46.19 43.20 1jva s LEU 503 CO 0.18 -1.08 1.91 -0.24 0.23 0.00 0.00 176.35 177.35 1jva n SER 504 N -0.75 0.50 0.00 2.29 2.88 -1.26 -3.74 113.62 113.53 1jva n SER 504 Ca 0.09 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.33 1jva n SER 504 Cb 0.48 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1jva n SER 504 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1jva n ASP 505 N -0.55 1.15 -3.50 -3.46 5.75 -1.26 -4.94 116.55 109.74 1jva n ASP 505 Ca 0.19 -1.40 -0.12 0.00 -0.01 0.00 0.00 54.79 53.45 1jva n ASP 505 Cb 0.17 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.22 1jva n ASP 505 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1jva s ARG 506 N -0.40 0.96 -0.95 0.11 1.70 -1.25 -5.04 118.95 114.08 1jva s ARG 506 Ca 0.00 -0.10 -0.15 0.00 -0.47 0.00 0.00 55.73 55.02 1jva s ARG 506 Cb 0.00 0.45 -0.09 0.00 -0.57 0.00 0.00 34.95 34.73 1jva s ARG 506 CO 0.00 -0.37 2.08 0.00 -1.08 0.00 0.00 175.30 175.93 1jva n ALA 507 N 0.24 4.29 -3.68 7.88 0.00 -1.26 -4.26 120.51 123.72 1jva n ALA 507 Ca -0.14 -2.95 -0.18 0.00 0.00 0.00 0.00 53.44 50.17 1jva n ALA 507 Cb 0.60 -3.40 -0.16 0.00 0.00 0.00 0.00 19.45 16.49 1jva n ALA 507 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jva s THR 508 N 4.09 0.29 0.09 0.00 2.01 -1.26 -2.92 115.64 117.95 1jva s THR 508 Ca 0.51 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.53 1jva s THR 508 Cb 0.13 -0.37 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 1jva s THR 508 CO 0.03 0.17 -0.02 0.72 -0.69 0.00 0.00 174.62 174.83 1jva s PHE 509 N 1.02 0.77 0.11 4.92 -0.12 -1.06 0.47 117.98 124.08 1jva s PHE 509 Ca -0.10 -1.05 0.03 0.00 -0.05 0.00 0.00 56.93 55.76 1jva s PHE 509 Cb -0.14 -0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 1jva s PHE 509 CO -0.01 -0.32 0.14 -1.54 -0.05 0.00 0.00 175.22 173.43 1jva s SER 510 N -3.01 5.74 0.07 1.98 1.04 -0.45 -1.10 113.70 117.97 1jva s SER 510 Ca 0.13 0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.54 1jva s SER 510 Cb 0.07 -1.59 -0.02 0.00 0.10 0.00 0.00 66.02 64.57 1jva s SER 510 CO -0.05 0.13 0.07 -0.69 0.98 0.00 0.00 173.24 173.68 1jva s VAL 511 N -1.54 0.18 0.46 5.02 1.01 -0.82 -4.79 120.40 119.92 1jva s VAL 511 Ca 0.31 -1.57 -0.21 0.00 0.00 0.00 0.00 61.98 60.51 1jva s VAL 511 Cb -0.12 -1.49 -0.09 0.00 0.00 0.00 0.00 36.38 34.68 1jva s VAL 511 CO 0.24 -0.82 1.02 -0.62 0.00 0.00 0.00 175.10 174.92 1jva s ASP 512 N -2.91 6.55 -0.13 3.32 -1.08 -1.26 -1.18 116.67 119.98 1jva s ASP 512 Ca 0.08 1.89 -0.24 0.00 -0.52 0.00 0.00 52.55 53.76 1jva s ASP 512 Cb 0.07 -2.56 -0.26 0.00 -1.46 0.00 0.00 42.92 38.71 1jva s ASP 512 CO -0.09 -0.64 0.65 0.28 0.52 0.00 0.00 175.17 175.90 1jva h SER 513 N 1.80 0.16 0.09 -0.34 0.02 -1.84 -3.32 113.55 110.12 1jva h SER 513 Ca -0.49 -0.87 0.00 0.00 -0.84 0.00 0.00 61.79 59.59 1jva h SER 513 Cb 1.21 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1jva h SER 513 CO 0.60 1.28 0.00 0.54 -1.14 0.00 0.00 176.83 178.11 1jva n ARG 514 N -4.36 0.10 -3.12 3.45 3.00 -1.26 -4.02 116.66 110.45 1jva n ARG 514 Ca -0.18 0.19 -0.44 0.00 -0.01 0.00 0.00 57.85 57.41 1jva n ARG 514 Cb 0.66 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.62 1jva n ARG 514 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1jva n ASP 515 N -1.24 5.43 0.27 0.55 -0.08 -1.25 -4.81 116.55 115.42 1jva n ASP 515 Ca 0.03 -3.03 0.15 0.00 -1.51 0.00 0.00 54.79 50.43 1jva n ASP 515 Cb 0.04 -1.46 0.74 0.00 2.34 0.00 0.00 41.12 42.78 1jva n ASP 515 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1jva h THR 516 N 4.05 0.31 -0.16 5.18 1.35 -1.88 -2.33 112.91 119.44 1jva h THR 516 Ca 0.25 -0.56 -0.12 0.00 -0.55 0.00 0.00 66.41 65.43 1jva h THR 516 Cb 0.85 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1jva h THR 516 CO 1.15 0.08 -0.39 0.28 -0.25 0.00 0.00 175.52 176.40 1jva h SER 517 N 0.00 0.61 -0.16 5.36 0.02 -1.87 -2.38 113.55 115.13 1jva h SER 517 Ca -0.00 -0.57 -0.10 0.00 -0.84 0.00 0.00 61.79 60.27 1jva h SER 517 Cb 0.41 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1jva h SER 517 CO 0.01 1.08 -0.23 0.25 -1.14 0.00 0.00 176.83 176.80 1jva h LEU 518 N 0.18 0.62 -0.14 5.07 5.85 -1.47 -2.46 115.31 122.95 1jva h LEU 518 Ca -0.00 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1jva h LEU 518 Cb 1.00 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1jva h LEU 518 CO 0.08 0.84 0.02 0.24 -0.34 0.00 0.00 178.44 179.28 1jva h MET 519 N 0.54 0.24 -0.57 1.25 2.86 -1.42 -1.41 114.93 116.42 1jva h MET 519 Ca 0.08 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.73 1jva h MET 519 Cb 0.69 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1jva h MET 519 CO 0.05 0.43 0.38 0.93 1.06 0.00 0.00 176.91 179.76 1jva h GLU 520 N 0.01 0.45 -0.00 1.72 5.08 -1.33 -1.67 114.58 118.84 1jva h GLU 520 Ca 0.04 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1jva h GLU 520 Cb 0.31 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1jva h GLU 520 CO 0.00 0.30 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.22 1jva h ARG 521 N 0.47 0.01 0.44 2.33 9.65 -0.99 0.08 114.38 126.36 1jva h ARG 521 Ca 0.25 -0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.12 1jva h ARG 521 Cb 0.38 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.94 1jva h ARG 521 CO -0.07 0.40 -0.39 0.28 2.80 0.00 0.00 179.97 182.99 1jva h VAL 522 N -0.39 0.21 -0.29 0.20 2.07 -0.74 0.21 116.25 117.53 1jva h VAL 522 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1jva h VAL 522 Cb 0.40 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 1jva h VAL 522 CO 0.00 0.00 -0.15 0.74 0.02 0.00 0.00 177.57 178.18 1jva h THR 523 N -0.83 0.55 -0.77 2.57 2.02 -1.39 0.36 112.91 115.43 1jva h THR 523 Ca -0.04 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.20 1jva h THR 523 Cb 0.73 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 1jva h THR 523 CO -0.04 0.00 0.45 -0.08 0.37 0.00 0.00 175.52 176.23 1jva h GLU 524 N -0.11 0.80 -0.06 6.66 4.81 -0.63 -2.22 114.58 123.84 1jva h GLU 524 Ca 0.15 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 1jva h GLU 524 Cb 0.34 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1jva h GLU 524 CO -0.36 0.53 -0.41 1.88 -0.73 0.00 0.00 179.01 179.92 1jva h TYR 525 N 0.82 0.53 -0.40 0.92 -1.99 0.20 -3.07 116.97 113.97 1jva h TYR 525 Ca 0.34 -0.24 0.08 0.00 2.00 0.00 0.00 58.73 60.91 1jva h TYR 525 Cb 0.20 -0.08 -0.08 0.00 2.00 0.00 0.00 36.73 38.77 1jva h TYR 525 CO -0.06 1.01 -0.13 0.00 -0.00 0.00 0.00 178.16 178.98 1jva h ALA 526 N 0.41 0.22 -0.78 3.88 0.00 -0.16 0.20 119.26 123.02 1jva h ALA 526 Ca -0.03 0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.19 1jva h ALA 526 Cb 1.07 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 19.17 1jva h ALA 526 CO 0.08 -0.48 0.53 1.49 0.00 0.00 0.00 179.25 180.86 1jva h GLU 527 N -0.04 0.37 0.00 0.00 4.81 -1.42 0.38 114.58 118.68 1jva h GLU 527 Ca 0.19 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1jva h GLU 527 Cb 0.34 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1jva h GLU 527 CO -0.43 0.24 0.00 0.87 -0.73 0.00 0.00 179.01 178.96 1jva h LYS 528 N 0.38 0.00 -0.12 1.92 1.79 -0.49 -0.92 116.57 119.13 1jva h LYS 528 Ca 0.39 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.83 1jva h LYS 528 Cb 0.96 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.59 1jva h LYS 528 CO -0.12 0.00 -0.12 1.28 -1.08 0.00 0.00 179.45 179.41 1jva n LEU 529 N -2.88 3.09 -3.77 2.94 4.77 0.13 -4.77 117.00 116.50 1jva n LEU 529 Ca -0.01 -3.37 -0.33 0.00 -0.03 0.00 0.00 56.01 52.26 1jva n LEU 529 Cb 0.15 -0.51 0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1jva n LEU 529 CO 0.21 0.95 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.91 1jva n ASN 530 N -1.11 -4.60 -4.24 -1.43 5.15 -0.35 -4.83 115.26 103.84 1jva n ASN 530 Ca 0.21 -1.06 -0.14 0.00 -0.60 0.00 0.00 54.58 52.99 1jva n ASN 530 Cb 0.78 -3.08 -0.10 0.00 -0.53 0.00 0.00 39.78 36.85 1jva n ASN 530 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jva s LEU 531 N -6.68 2.25 -0.13 1.20 1.43 -0.80 -4.11 118.68 111.84 1jva s LEU 531 Ca 0.43 -1.13 0.01 0.00 -1.03 0.00 0.00 54.13 52.41 1jva s LEU 531 Cb -0.17 -0.13 -0.00 0.00 0.03 0.00 0.00 46.19 45.91 1jva s LEU 531 CO 0.88 -0.51 -0.17 0.00 0.23 0.00 0.00 176.35 176.78 1jva s ALA 533 N 0.59 3.32 -0.01 0.00 0.00 -1.26 -3.03 121.76 121.37 1jva s ALA 533 Ca -0.10 -2.77 -0.16 0.00 0.00 0.00 0.00 51.96 48.93 1jva s ALA 533 Cb -0.16 -4.24 -0.06 0.00 0.00 0.00 0.00 23.12 18.67 1jva s ALA 533 CO 0.03 -3.13 0.44 -2.00 0.00 0.00 0.00 175.76 171.11 1jva s GLU 534 N 3.18 4.04 -0.13 0.00 -6.30 0.22 -4.85 118.70 114.85 1jva s GLU 534 Ca 0.40 0.46 -0.25 0.00 -2.50 0.00 0.00 54.97 53.08 1jva s GLU 534 Cb -0.02 -3.26 0.06 0.00 0.00 0.00 0.00 34.13 30.91 1jva s GLU 534 CO -0.06 0.59 0.62 1.52 0.02 0.00 0.00 175.26 177.95 1jva s TYR 535 N -0.79 -0.63 0.56 5.30 -0.85 -1.26 0.15 117.35 119.83 1jva s TYR 535 Ca 0.25 1.29 0.38 0.00 -0.52 0.00 0.00 57.07 58.47 1jva s TYR 535 Cb -0.17 0.30 1.52 0.00 0.38 0.00 0.00 41.96 43.99 1jva s TYR 535 CO 0.14 -0.47 1.71 0.87 -1.52 0.00 0.00 175.55 176.28 1jva h LYS 536 N 4.03 0.00 0.00 -3.49 6.56 -1.99 -3.46 116.57 118.22 1jva h LYS 536 Ca -0.28 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 1jva h LYS 536 Cb 1.16 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.82 1jva h LYS 536 CO 0.26 0.00 0.00 -3.47 -2.06 0.00 0.00 179.45 174.18 1jva n ASP 537 N -3.96 -0.70 -2.51 0.86 -0.08 -1.26 -3.88 116.55 105.02 1jva n ASP 537 Ca 0.28 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.43 1jva n ASP 537 Cb 1.39 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 44.77 1jva n ASP 537 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1jva n ARG 538 N 0.00 1.53 -0.10 -0.67 1.74 -1.26 -2.77 116.66 115.12 1jva n ARG 538 Ca 0.00 -0.89 0.00 0.00 -0.77 0.00 0.00 57.85 56.19 1jva n ARG 538 Cb 0.00 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.43 1jva n ARG 538 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1jva n LYS 539 N 3.15 0.00 -3.67 5.56 2.85 -1.25 -5.02 118.16 119.78 1jva n LYS 539 Ca 0.33 -0.33 -0.30 0.00 -1.05 0.00 0.00 58.31 56.97 1jva n LYS 539 Cb 0.42 -0.27 -0.14 0.00 -0.65 0.00 0.00 35.03 34.39 1jva n LYS 539 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1jva s GLU 540 N 0.00 0.77 -0.57 -1.58 2.12 -1.11 -5.09 118.70 113.24 1jva s GLU 540 Ca 0.00 -1.28 -0.34 0.00 0.36 0.00 0.00 54.97 53.71 1jva s GLU 540 Cb 0.00 -1.88 -0.14 0.00 0.26 0.00 0.00 34.13 32.36 1jva s GLU 540 CO 0.00 -1.07 2.36 -2.30 -0.54 0.00 0.00 175.26 173.72 1jva n PRO 541 N 4.45 0.63 -3.61 4.30 -0.02 -1.26 -4.83 135.00 134.66 1jva n PRO 541 Ca 0.02 0.12 -0.01 0.00 -2.02 0.00 0.00 63.50 61.61 1jva n PRO 541 Cb 0.39 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.61 1jva n PRO 541 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1jva s GLN 542 N 7.33 0.26 -0.13 -0.52 -1.52 -1.26 -5.05 119.66 118.77 1jva s GLN 542 Ca 1.16 -0.13 0.10 0.00 -1.95 0.00 0.00 55.36 54.55 1jva s GLN 542 Cb -0.93 0.10 -0.15 0.00 -0.22 0.00 0.00 33.01 31.81 1jva s GLN 542 CO 0.47 -0.12 0.02 1.55 -0.25 0.00 0.00 175.29 176.96 1jva n VAL 543 N -0.29 0.90 -3.28 1.09 3.14 -1.26 -4.83 118.33 113.80 1jva n VAL 543 Ca -0.04 -0.53 -0.46 0.00 -2.96 0.00 0.00 64.34 60.35 1jva n VAL 543 Cb 0.61 -0.71 -0.03 0.00 -1.06 0.00 0.00 33.84 32.64 1jva n VAL 543 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1jva s ALA 544 N -2.32 3.83 -0.14 1.55 0.00 -1.26 -2.28 121.76 121.14 1jva s ALA 544 Ca -0.08 -2.92 -0.29 0.00 0.00 0.00 0.00 51.96 48.67 1jva s ALA 544 Cb 0.04 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 1jva s ALA 544 CO 0.51 -2.24 1.53 0.15 0.00 0.00 0.00 175.76 175.71 1jva s LYS 545 N 1.04 4.07 0.03 0.00 -0.14 -0.33 -4.78 119.74 119.63 1jva s LYS 545 Ca 0.13 1.86 -0.30 0.00 -1.36 0.00 0.00 55.97 56.30 1jva s LYS 545 Cb -0.18 -3.94 -0.05 0.00 -1.68 0.00 0.00 37.83 31.98 1jva s LYS 545 CO -0.03 -0.95 1.19 0.99 -0.76 0.00 0.00 175.35 175.79 1jva s THR 546 N 4.25 4.14 -0.24 2.17 2.01 -1.26 -1.94 115.64 124.76 1jva s THR 546 Ca 0.67 1.52 -0.02 0.00 0.31 0.00 0.00 61.69 64.17 1jva s THR 546 Cb -0.27 -3.98 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1jva s THR 546 CO 0.25 0.09 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.52 1jva s VAL 547 N 1.38 2.94 -0.22 3.82 1.01 -0.26 -4.33 120.40 124.75 1jva s VAL 547 Ca 0.58 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 61.53 1jva s VAL 547 Cb -0.28 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.60 1jva s VAL 547 CO 0.27 0.25 0.13 0.20 0.00 0.00 0.00 175.10 175.95 1jva s ASN 548 N 1.35 6.02 -0.45 3.32 0.01 0.41 -2.57 114.94 123.02 1jva s ASN 548 Ca 0.01 0.13 -0.08 0.00 -0.71 0.00 0.00 52.86 52.22 1jva s ASN 548 Cb -0.16 -2.07 0.11 0.00 0.41 0.00 0.00 41.25 39.55 1jva s ASN 548 CO -0.05 0.12 0.31 -0.76 -1.51 0.00 0.00 177.10 175.22 1jva s LEU 549 N 0.70 5.54 0.22 0.60 1.02 -1.15 0.69 118.68 126.30 1jva s LEU 549 Ca 0.07 -1.87 -0.03 0.00 0.02 0.00 0.00 54.13 52.32 1jva s LEU 549 Cb -0.12 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 44.06 1jva s LEU 549 CO 0.01 -0.65 0.44 -0.31 0.02 0.00 0.00 176.35 175.87 1jva s TYR 550 N 1.34 3.48 0.55 0.29 2.02 -1.17 -4.84 117.35 119.01 1jva s TYR 550 Ca 0.06 0.50 0.45 0.00 -0.37 0.00 0.00 57.07 57.70 1jva s TYR 550 Cb -0.25 -1.98 1.66 0.00 -0.40 0.00 0.00 41.96 40.99 1jva s TYR 550 CO -0.01 0.32 1.65 1.03 -1.57 0.00 0.00 175.55 176.98 1jva h SER 551 N 2.11 0.02 -6.38 2.29 0.87 -1.90 -3.08 113.55 107.49 1jva h SER 551 Ca -0.47 0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 59.90 1jva h SER 551 Cb 1.18 0.01 0.01 0.00 -0.44 0.00 0.00 62.40 63.16 1jva h SER 551 CO 0.68 -0.01 -1.09 1.17 -0.53 0.00 0.00 176.83 177.05 1jva n LYS 552 N -4.07 -1.07 0.00 2.24 4.81 -1.26 -4.46 118.16 114.36 1jva n LYS 552 Ca 0.38 1.07 0.00 0.00 -0.87 0.00 0.00 58.31 58.89 1jva n LYS 552 Cb 1.74 -1.45 0.00 0.00 0.02 0.00 0.00 35.03 35.34 1jva n LYS 552 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1jva n VAL 553 N 0.55 0.00 -0.10 3.15 0.31 -1.26 -4.56 118.33 116.42 1jva n VAL 553 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 1jva n VAL 553 Cb 0.58 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1jva n VAL 553 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1jva n GLU 566 N -1.23 -1.15 -4.41 5.55 1.02 -1.26 -5.14 120.64 114.02 1jva n GLU 566 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.93 1jva n GLU 566 Cb 0.00 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 29.63 1jva n GLU 566 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1jva s ASN 567 N -0.10 2.01 0.09 1.62 4.22 -1.26 -4.89 114.94 116.63 1jva s ASN 567 Ca 0.00 -1.53 -0.32 0.00 -2.14 0.00 0.00 52.86 48.86 1jva s ASN 567 Cb 0.00 0.30 -0.15 0.00 1.28 0.00 0.00 41.25 42.68 1jva s ASN 567 CO 0.00 -0.82 1.60 1.55 -2.04 0.00 0.00 177.10 177.39 1jva h PRO 568 N 2.10 -0.80 0.03 3.55 0.13 -1.93 -0.17 132.00 134.92 1jva h PRO 568 Ca -0.36 0.05 0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1jva h PRO 568 Cb 1.25 0.18 -0.05 0.00 0.13 0.00 0.00 31.00 32.51 1jva h PRO 568 CO 0.58 -0.53 -0.40 1.25 -0.23 0.00 0.00 178.00 178.66 1jva h LEU 569 N -0.83 -1.21 -0.99 1.56 5.85 -1.96 -1.66 115.31 116.08 1jva h LEU 569 Ca -0.04 0.15 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 1jva h LEU 569 Cb 0.72 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1jva h LEU 569 CO -0.03 -0.45 -0.18 -0.25 -0.34 0.00 0.00 178.44 177.19 1jva h TRP 570 N -0.58 0.57 -0.33 1.25 2.91 -1.95 -0.63 115.95 117.19 1jva h TRP 570 Ca 0.04 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 59.96 1jva h TRP 570 Cb 0.64 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.13 1jva h TRP 570 CO -0.40 0.67 0.20 -0.44 -1.03 0.00 0.00 178.44 177.45 1jva h ASP 571 N 0.47 0.39 0.14 2.65 3.32 -0.65 -1.86 116.42 120.88 1jva h ASP 571 Ca 0.08 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 56.88 1jva h ASP 571 Cb 0.59 -0.10 0.03 0.00 0.22 0.00 0.00 39.33 40.06 1jva h ASP 571 CO 0.04 0.30 -0.97 0.00 -1.72 0.00 0.00 179.24 176.89 1jva h ALA 572 N 1.77 -0.07 -0.95 3.45 0.00 -0.75 0.63 119.26 123.33 1jva h ALA 572 Ca 0.12 -0.72 0.21 0.00 0.00 0.00 0.00 54.91 54.53 1jva h ALA 572 Cb -0.02 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 17.76 1jva h ALA 572 CO -0.02 0.48 0.52 0.82 0.00 0.00 0.00 179.25 181.04 1jva h ILE 573 N -0.13 0.58 0.03 0.00 2.04 -0.65 0.34 117.51 119.72 1jva h ILE 573 Ca -0.16 -0.19 -0.22 0.00 1.00 0.00 0.00 64.86 65.28 1jva h ILE 573 Cb 1.73 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 1jva h ILE 573 CO 0.18 0.10 -1.21 0.58 0.00 0.00 0.00 178.15 177.81 1jva h VAL 574 N 0.57 1.00 0.10 1.67 2.07 -1.41 0.97 116.25 121.22 1jva h VAL 574 Ca 0.58 -2.24 0.02 0.00 0.82 0.00 0.00 66.70 65.87 1jva h VAL 574 Cb 1.03 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 1jva h VAL 574 CO -0.46 0.45 -0.19 1.23 0.02 0.00 0.00 177.57 178.63 1jva h GLY 575 N -0.65 -0.33 2.00 2.17 0.00 -0.56 -2.59 103.07 103.10 1jva h GLY 575 Ca -0.31 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 1jva h GLY 575 CO -0.12 -0.18 -0.14 1.41 0.00 0.00 0.00 176.54 177.51 1jva h LEU 576 N -0.36 0.00 0.00 3.11 3.38 -0.53 -3.48 115.31 117.44 1jva h LEU 576 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jva h LEU 576 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1jva h LEU 576 CO -0.11 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.17 1jva n GLY 577 N 0.22 1.25 0.00 0.83 0.00 -0.98 -4.85 105.19 101.66 1jva n GLY 577 Ca 0.01 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.87 1jva n GLY 577 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jva n PHE 578 N -1.99 0.00 -3.50 1.61 3.01 0.32 -3.98 117.46 112.92 1jva n PHE 578 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.17 1jva n PHE 578 Cb 0.07 -0.22 -0.13 0.00 -0.01 0.00 0.00 39.48 39.19 1jva n PHE 578 CO 0.00 0.00 0.00 -1.17 1.01 0.00 0.00 176.76 176.60 1jva s LEU 579 N -2.44 0.85 -0.24 4.37 2.96 -1.08 -0.73 118.68 122.36 1jva s LEU 579 Ca 0.21 -1.84 -0.06 0.00 -0.22 0.00 0.00 54.13 52.22 1jva s LEU 579 Cb 0.13 -0.39 -0.02 0.00 0.50 0.00 0.00 46.19 46.41 1jva s LEU 579 CO 0.28 -0.36 0.03 -0.75 -1.32 0.00 0.00 176.35 174.23 1jva s LYS 580 N 1.47 3.55 -0.76 1.98 2.20 -0.04 -4.52 119.74 123.62 1jva s LYS 580 Ca 0.14 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.18 1jva s LYS 580 Cb -0.20 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 1jva s LYS 580 CO -0.14 -0.20 0.65 -0.25 -0.36 0.00 0.00 175.35 175.05 1jva n ASP 581 N 4.88 -3.94 0.00 1.43 9.92 -1.26 -2.88 116.55 124.70 1jva n ASP 581 Ca -0.17 -0.32 0.00 0.00 -0.53 0.00 0.00 54.79 53.77 1jva n ASP 581 Cb 0.51 -3.11 0.00 0.00 -0.64 0.00 0.00 41.12 37.88 1jva n ASP 581 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jva n GLY 582 N -1.30 2.22 3.80 0.44 0.00 -1.26 -4.96 105.19 104.12 1jva n GLY 582 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 1jva n GLY 582 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jva s VAL 583 N -0.74 4.79 0.51 1.61 -7.23 -1.14 -4.92 120.40 113.28 1jva s VAL 583 Ca 0.00 -0.43 -0.23 0.00 -1.81 0.00 0.00 61.98 59.51 1jva s VAL 583 Cb 0.00 -3.21 -0.06 0.00 0.56 0.00 0.00 36.38 33.66 1jva s VAL 583 CO 0.00 0.31 1.33 0.29 -0.31 0.00 0.00 175.10 176.73 1jva n LYS 584 N 1.04 1.79 -3.71 4.82 5.02 -1.26 -0.86 118.16 124.99 1jva n LYS 584 Ca -0.12 0.65 -0.14 0.00 -2.02 0.00 0.00 58.31 56.68 1jva n LYS 584 Cb 0.52 -2.53 -0.08 0.00 -0.02 0.00 0.00 35.03 32.93 1jva n LYS 584 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1jva s ASN 585 N -0.79 -0.27 -0.50 4.39 2.47 0.09 -4.47 114.94 115.86 1jva s ASN 585 Ca 0.68 0.17 -0.16 0.00 0.42 0.00 0.00 52.86 53.98 1jva s ASN 585 Cb -0.44 0.36 0.10 0.00 -1.45 0.00 0.00 41.25 39.82 1jva s ASN 585 CO 0.52 -0.50 0.44 -0.63 -3.72 0.00 0.00 177.10 173.21 1jva s ILE 586 N -1.44 5.21 0.10 -5.21 -1.09 -1.26 -4.34 121.20 113.16 1jva s ILE 586 Ca -0.12 -1.25 -0.35 0.00 -2.23 0.00 0.00 60.65 56.69 1jva s ILE 586 Cb -0.04 -4.21 -0.18 0.00 -1.58 0.00 0.00 42.46 36.46 1jva s ILE 586 CO 0.04 -0.70 1.08 -2.65 -1.23 0.00 0.00 174.94 171.49 1jva n PRO 587 N 5.22 0.60 0.11 2.79 -0.02 -1.26 -4.84 135.00 137.60 1jva n PRO 587 Ca -0.13 0.21 0.01 0.00 -2.02 0.00 0.00 63.50 61.57 1jva n PRO 587 Cb 0.42 -1.68 0.33 0.00 -0.02 0.00 0.00 33.50 32.56 1jva n PRO 587 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jva h SER 588 N 3.16 0.23 0.28 2.55 4.64 -1.95 -2.73 113.55 119.72 1jva h SER 588 Ca -0.45 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1jva h SER 588 Cb 1.38 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1jva h SER 588 CO 0.68 0.47 0.00 2.19 -0.87 0.00 0.00 176.83 179.30 1jva h PHE 589 N 0.21 0.00 -0.07 4.77 -5.15 -1.97 -2.98 116.94 111.75 1jva h PHE 589 Ca 0.04 0.00 0.04 0.00 -0.20 0.00 0.00 57.97 57.84 1jva h PHE 589 Cb 0.53 0.00 -0.05 0.00 0.22 0.00 0.00 35.95 36.65 1jva h PHE 589 CO 0.01 0.00 -0.19 -0.07 -2.00 0.00 0.00 178.31 176.05 1jva h LEU 590 N 0.00 -0.59 -1.07 2.10 -0.00 -1.84 -2.59 115.31 111.32 1jva h LEU 590 Ca 0.00 0.09 0.30 0.00 -0.00 0.00 0.00 57.88 58.27 1jva h LEU 590 Cb 0.14 0.26 -0.13 0.00 -0.00 0.00 0.00 40.66 40.92 1jva h LEU 590 CO 0.00 -0.25 0.61 0.28 -0.00 0.00 0.00 178.44 179.08 1jva h SER 591 N -0.28 0.54 -0.57 -0.43 0.02 -1.74 0.17 113.55 111.26 1jva h SER 591 Ca 0.08 0.16 -0.19 0.00 -0.84 0.00 0.00 61.79 61.00 1jva h SER 591 Cb 0.39 0.09 -0.11 0.00 0.14 0.00 0.00 62.40 62.91 1jva h SER 591 CO -0.23 -0.04 0.17 0.35 -1.14 0.00 0.00 176.83 175.93 1jva n THR 592 N -4.93 2.73 -3.28 -2.27 -2.24 -1.00 -4.86 114.28 98.43 1jva n THR 592 Ca 0.30 -1.97 -0.02 0.00 -2.27 0.00 0.00 64.05 60.10 1jva n THR 592 Cb 0.93 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1jva n THR 592 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1jva n ASP 593 N -0.54 0.67 -4.65 3.42 2.03 0.59 -0.49 116.55 117.59 1jva n ASP 593 Ca 0.37 -1.12 -0.52 0.00 0.52 0.00 0.00 54.79 54.04 1jva n ASP 593 Cb 1.23 -0.01 -0.06 0.00 -0.72 0.00 0.00 41.12 41.55 1jva n ASP 593 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1jva n ASN 594 N -2.44 2.30 -0.04 1.67 2.85 -1.23 -4.34 115.26 114.04 1jva n ASN 594 Ca 0.00 1.08 -0.09 0.00 -0.11 0.00 0.00 54.58 55.47 1jva n ASN 594 Cb 0.04 -1.24 -0.03 0.00 1.24 0.00 0.00 39.78 39.79 1jva n ASN 594 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1jva h ILE 595 N 4.10 0.91 -0.81 -1.44 2.04 -1.93 -1.32 117.51 119.06 1jva h ILE 595 Ca -0.47 -0.03 0.18 0.00 1.00 0.00 0.00 64.86 65.53 1jva h ILE 595 Cb 1.31 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.13 1jva h ILE 595 CO 0.86 0.02 0.54 1.23 0.00 0.00 0.00 178.15 180.81 1jva h GLY 596 N 0.10 0.71 1.06 5.37 0.00 -2.00 0.37 103.07 108.69 1jva h GLY 596 Ca 0.08 -0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1jva h GLY 596 CO -0.12 0.03 -0.52 -0.84 0.00 0.00 0.00 176.54 175.09 1jva h THR 597 N 0.38 1.30 -0.28 4.70 2.02 -1.68 -1.39 112.91 117.96 1jva h THR 597 Ca 0.41 -1.73 0.01 0.00 0.77 0.00 0.00 66.41 65.87 1jva h THR 597 Cb 1.02 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 1jva h THR 597 CO -0.13 0.55 0.16 0.03 0.37 0.00 0.00 175.52 176.50 1jva h ARG 598 N 0.49 0.32 -0.29 6.66 3.08 0.09 -0.46 114.38 124.27 1jva h ARG 598 Ca -0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 1jva h ARG 598 Cb 1.13 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 1jva h ARG 598 CO 0.11 0.21 0.07 0.93 -1.07 0.00 0.00 179.97 180.23 1jva h GLU 599 N 0.33 0.46 -0.48 0.04 5.08 -1.21 -1.80 114.58 117.01 1jva h GLU 599 Ca 0.11 -0.11 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1jva h GLU 599 Cb 0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1jva h GLU 599 CO -0.05 0.54 0.30 1.15 -1.00 0.00 0.00 179.01 179.94 1jva h THR 600 N 0.30 1.08 -0.26 1.13 2.02 -1.11 0.12 112.91 116.19 1jva h THR 600 Ca 0.09 -0.20 0.04 0.00 0.77 0.00 0.00 66.41 67.10 1jva h THR 600 Cb 0.29 0.43 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1jva h THR 600 CO 0.00 0.11 0.04 0.15 0.37 0.00 0.00 175.52 176.19 1jva h PHE 601 N 0.60 0.06 -0.82 3.16 3.57 -0.95 -2.06 116.94 120.51 1jva h PHE 601 Ca 0.19 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 1jva h PHE 601 Cb -0.02 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1jva h PHE 601 CO -0.06 0.01 0.36 -0.07 -2.23 0.00 0.00 178.31 176.32 1jva h LEU 602 N 0.13 1.10 -1.63 0.59 3.38 -0.90 -2.18 115.31 115.80 1jva h LEU 602 Ca 0.12 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1jva h LEU 602 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1jva h LEU 602 CO -0.17 0.95 0.30 0.00 0.09 0.00 0.00 178.44 179.61 1jva h ALA 603 N 1.21 1.83 -0.10 1.53 0.00 -0.24 0.34 119.26 123.83 1jva h ALA 603 Ca 0.28 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1jva h ALA 603 Cb 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1jva h ALA 603 CO -0.03 0.12 -0.32 0.78 0.00 0.00 0.00 179.25 179.80 1jva h GLY 604 N 0.48 0.43 0.80 0.00 0.00 -0.79 -1.27 103.07 102.71 1jva h GLY 604 Ca 0.18 -0.56 0.01 0.00 0.00 0.00 0.00 47.33 46.96 1jva h GLY 604 CO -0.05 0.50 -0.13 -2.00 0.00 0.00 0.00 176.54 174.86 1jva h LEU 605 N -0.06 -0.36 -1.34 3.11 5.85 -0.85 -1.16 115.31 120.50 1jva h LEU 605 Ca -0.01 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1jva h LEU 605 Cb 0.94 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 42.05 1jva h LEU 605 CO 0.07 -0.20 0.52 0.40 -0.34 0.00 0.00 178.44 178.89 1jva h ILE 606 N -0.28 0.95 0.00 4.05 2.04 -0.37 -0.77 117.51 123.14 1jva h ILE 606 Ca 0.01 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.56 1jva h ILE 606 Cb 0.28 0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1jva h ILE 606 CO -0.06 0.14 -0.27 0.44 0.00 0.00 0.00 178.15 178.40 1jva h ASP 607 N 0.74 0.00 0.00 1.72 3.32 -0.23 -2.97 116.42 119.00 1jva h ASP 607 Ca 0.37 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.10 1jva h ASP 607 Cb 0.43 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.92 1jva h ASP 607 CO -0.14 0.27 -2.28 -1.54 -1.72 0.00 0.00 179.24 173.82 1jva n SER 608 N -3.44 0.27 -2.82 6.45 3.41 -0.49 -4.79 113.62 112.21 1jva n SER 608 Ca -0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 1jva n SER 608 Cb 0.45 1.06 0.05 0.00 -0.26 0.00 0.00 64.21 65.50 1jva n SER 608 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1jva n ASP 609 N -2.67 -0.28 -3.79 4.04 5.75 -0.42 -4.68 116.55 114.51 1jva n ASP 609 Ca -0.29 -2.92 -0.06 0.00 -0.01 0.00 0.00 54.79 51.51 1jva n ASP 609 Cb 1.07 0.31 -0.02 0.00 -1.03 0.00 0.00 41.12 41.46 1jva n ASP 609 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1jva s GLY 610 N -2.11 -0.18 0.05 6.12 0.00 -1.12 -1.54 107.32 108.54 1jva s GLY 610 Ca 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 44.72 44.92 1jva s GLY 610 CO -0.04 -0.03 -0.03 -2.52 0.00 0.00 0.00 173.10 170.48 1jva s TYR 611 N -3.65 0.50 -0.04 1.90 -0.85 -0.24 -4.81 117.35 110.16 1jva s TYR 611 Ca 0.11 -0.98 0.06 0.00 -0.52 0.00 0.00 57.07 55.73 1jva s TYR 611 Cb -0.04 -0.37 -0.02 0.00 0.38 0.00 0.00 41.96 41.91 1jva s TYR 611 CO 0.04 -0.34 -0.21 0.08 -1.52 0.00 0.00 175.55 173.59 1jva s VAL 612 N -3.54 2.42 0.11 -3.49 1.01 -1.26 -0.80 120.40 114.85 1jva s VAL 612 Ca 0.04 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1jva s VAL 612 Cb 0.05 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.50 1jva s VAL 612 CO -0.08 0.58 -0.10 0.42 0.00 0.00 0.00 175.10 175.91 1jva s THR 613 N -0.49 1.02 -0.03 3.92 -4.23 -0.62 -4.97 115.64 110.25 1jva s THR 613 Ca 0.06 -1.78 0.04 0.00 -1.18 0.00 0.00 61.69 58.83 1jva s THR 613 Cb -0.11 -1.53 0.06 0.00 1.34 0.00 0.00 72.50 72.26 1jva s THR 613 CO 0.01 -0.62 0.99 -0.90 -0.54 0.00 0.00 174.62 173.56 1jva n ASP 614 N 0.31 0.54 0.04 3.99 5.68 -1.26 -1.70 116.55 124.15 1jva n ASP 614 Ca -0.14 -2.14 -0.13 0.00 -0.50 0.00 0.00 54.79 51.88 1jva n ASP 614 Cb 0.59 -0.23 -0.06 0.00 -1.14 0.00 0.00 41.12 40.28 1jva n ASP 614 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jva h GLU 615 N 0.00 -0.50 -1.14 0.11 5.08 -1.98 -3.24 114.58 112.91 1jva h GLU 615 Ca 0.00 0.03 -0.51 0.00 -1.00 0.00 0.00 59.36 57.88 1jva h GLU 615 Cb 1.26 0.11 -0.42 0.00 0.50 0.00 0.00 28.75 30.21 1jva h GLU 615 CO 0.00 -0.34 -0.86 0.72 -1.00 0.00 0.00 179.01 177.53 1jva n HIS 616 N -5.44 2.70 0.00 4.33 8.25 -1.26 -5.05 115.22 118.75 1jva n HIS 616 Ca -0.05 -2.74 0.00 0.00 -0.26 0.00 0.00 57.72 54.67 1jva n HIS 616 Cb 0.36 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1jva n HIS 616 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jva n GLY 617 N -0.49 3.24 3.75 -1.41 0.00 -1.23 -5.03 105.19 104.03 1jva n GLY 617 Ca 0.33 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 1jva n GLY 617 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jva s ILE 618 N -1.73 2.19 -0.22 -0.61 1.10 -1.26 -4.29 121.20 116.38 1jva s ILE 618 Ca 0.00 0.16 -0.20 0.00 -0.51 0.00 0.00 60.65 60.11 1jva s ILE 618 Cb 0.00 -3.11 0.06 0.00 0.15 0.00 0.00 42.46 39.56 1jva s ILE 618 CO 0.00 0.03 0.58 -0.75 -2.11 0.00 0.00 174.94 172.68 1jva s LYS 619 N -0.76 0.67 -0.04 3.50 2.20 -0.69 -4.31 119.74 120.32 1jva s LYS 619 Ca 0.61 0.81 0.06 0.00 -0.36 0.00 0.00 55.97 57.09 1jva s LYS 619 Cb -0.46 0.32 -0.02 0.00 -1.51 0.00 0.00 37.83 36.16 1jva s LYS 619 CO 0.50 -0.08 -0.23 0.00 -0.36 0.00 0.00 175.35 175.17 1jva s ALA 620 N 0.35 2.27 -0.15 3.13 0.00 0.40 -1.58 121.76 126.19 1jva s ALA 620 Ca -0.00 -1.07 0.01 0.00 0.00 0.00 0.00 51.96 50.90 1jva s ALA 620 Cb -0.04 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.42 1jva s ALA 620 CO 0.00 0.50 -0.15 0.99 0.00 0.00 0.00 175.76 177.10 1jva s THR 621 N -0.49 1.63 -0.10 0.00 2.01 0.02 -0.40 115.64 118.31 1jva s THR 621 Ca 0.06 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 61.37 1jva s THR 621 Cb -0.11 -1.51 -0.03 0.00 0.01 0.00 0.00 72.50 70.86 1jva s THR 621 CO 0.01 0.47 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.71 1jva s ILE 622 N 1.36 3.65 -0.15 1.82 1.01 -0.85 -1.08 121.20 126.97 1jva s ILE 622 Ca 0.03 -0.48 -0.05 0.00 0.00 0.00 0.00 60.65 60.15 1jva s ILE 622 Cb -0.13 -2.53 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1jva s ILE 622 CO -0.09 0.56 0.01 -0.54 0.00 0.00 0.00 174.94 174.88 1jva s LYS 623 N -0.31 3.65 -0.00 2.79 -0.14 -0.59 -0.73 119.74 124.41 1jva s LYS 623 Ca 0.04 -0.42 0.00 0.00 -1.36 0.00 0.00 55.97 54.24 1jva s LYS 623 Cb -0.13 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 33.02 1jva s LYS 623 CO 0.02 0.36 -0.01 -0.08 -0.76 0.00 0.00 175.35 174.89 1jva s THR 624 N 0.08 0.08 -0.67 2.17 -1.32 0.32 -4.91 115.64 111.38 1jva s THR 624 Ca 0.02 -0.02 0.24 0.00 -1.21 0.00 0.00 61.69 60.72 1jva s THR 624 Cb -0.13 -0.08 -0.03 0.00 -1.51 0.00 0.00 72.50 70.75 1jva s THR 624 CO 0.02 0.03 1.19 -0.38 -2.21 0.00 0.00 174.62 173.27 1jva n ILE 625 N 3.16 0.23 -3.98 5.08 -0.00 -1.26 -0.83 119.36 121.77 1jva n ILE 625 Ca -0.14 -0.23 -0.36 0.00 -0.00 0.00 0.00 62.75 62.03 1jva n ILE 625 Cb 0.59 0.07 -0.08 0.00 -0.00 0.00 0.00 39.64 40.22 1jva n ILE 625 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 1jva s HIS 626 N -3.16 3.41 0.02 1.39 3.76 -1.26 -4.80 115.29 114.65 1jva s HIS 626 Ca 0.06 0.34 0.18 0.00 -0.15 0.00 0.00 55.06 55.49 1jva s HIS 626 Cb 0.14 -1.97 0.45 0.00 1.11 0.00 0.00 32.58 32.31 1jva s HIS 626 CO 0.76 0.50 1.62 1.79 -0.85 0.00 0.00 174.74 178.56 1jva h THR 627 N 4.30 0.82 0.53 1.30 1.35 -1.96 -2.45 112.91 116.80 1jva h THR 627 Ca -0.48 -1.77 -0.03 0.00 -0.55 0.00 0.00 66.41 63.58 1jva h THR 627 Cb 1.20 2.12 0.01 0.00 -1.73 0.00 0.00 68.15 69.75 1jva h THR 627 CO 0.63 0.40 -0.26 -1.28 -0.25 0.00 0.00 175.52 174.76 1jva h SER 628 N 0.00 -0.61 0.06 5.36 0.87 -1.94 -2.31 113.55 114.98 1jva h SER 628 Ca -0.00 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.55 1jva h SER 628 Cb 1.09 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1jva h SER 628 CO 0.05 -0.38 -0.10 0.58 -0.53 0.00 0.00 176.83 176.46 1jva h VAL 629 N -0.79 0.77 -0.45 2.23 2.07 -1.78 -2.34 116.25 115.96 1jva h VAL 629 Ca -0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.49 1jva h VAL 629 Cb 0.58 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.07 1jva h VAL 629 CO 0.12 0.00 -0.27 -1.14 0.02 0.00 0.00 177.57 176.30 1jva n ARG 630 N -5.22 -0.20 0.28 1.57 0.63 -0.92 0.52 116.66 113.32 1jva n ARG 630 Ca -0.07 1.23 0.14 0.00 -0.92 0.00 0.00 57.85 58.23 1jva n ARG 630 Cb 0.14 -1.82 0.82 0.00 0.45 0.00 0.00 32.46 32.05 1jva n ARG 630 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1jva h ASP 631 N 0.00 0.00 0.00 6.15 3.32 -1.40 -0.77 116.42 123.73 1jva h ASP 631 Ca 0.07 0.00 -0.22 0.00 0.02 0.00 0.00 57.03 56.90 1jva h ASP 631 Cb 0.18 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.74 1jva h ASP 631 CO -0.42 0.07 -0.81 1.23 -1.72 0.00 0.00 179.24 177.59 1jva h GLY 632 N 0.55 0.73 0.80 2.75 0.00 0.13 -2.87 103.07 105.16 1jva h GLY 632 Ca -0.00 -1.07 -0.00 0.00 0.00 0.00 0.00 47.33 46.25 1jva h GLY 632 CO 0.01 0.96 0.00 -2.00 0.00 0.00 0.00 176.54 175.51 1jva h LEU 633 N 0.44 0.02 -1.08 3.11 5.85 0.14 -1.12 115.31 122.66 1jva h LEU 633 Ca -0.06 -0.20 0.13 0.00 0.84 0.00 0.00 57.88 58.59 1jva h LEU 633 Cb 1.42 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.37 1jva h LEU 633 CO 0.16 0.22 0.62 0.58 -0.34 0.00 0.00 178.44 179.67 1jva h VAL 634 N -0.19 0.90 -0.03 1.05 2.07 -1.25 0.31 116.25 119.11 1jva h VAL 634 Ca 0.00 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1jva h VAL 634 Cb 0.21 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 1jva h VAL 634 CO -0.00 0.17 -0.04 -1.28 0.02 0.00 0.00 177.57 176.43 1jva h SER 635 N 0.92 0.09 -0.81 0.57 0.87 -1.32 -1.78 113.55 112.09 1jva h SER 635 Ca 0.49 -0.52 -0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1jva h SER 635 Cb 0.55 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.45 1jva h SER 635 CO -0.25 0.60 0.42 0.25 -0.53 0.00 0.00 176.83 177.32 1jva h LEU 636 N -0.41 1.03 -0.20 2.23 5.85 -0.59 -1.79 115.31 121.43 1jva h LEU 636 Ca 0.00 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 1jva h LEU 636 Cb 0.58 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1jva h LEU 636 CO 0.01 0.84 -0.13 0.00 -0.34 0.00 0.00 178.44 178.82 1jva h ALA 637 N 1.32 0.28 0.00 1.25 0.00 -0.41 -2.92 119.26 118.78 1jva h ALA 637 Ca 0.28 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1jva h ALA 637 Cb 0.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jva h ALA 637 CO -0.04 0.15 -0.07 0.00 0.00 0.00 0.00 179.25 179.29 1jva h ARG 638 N 0.12 0.00 0.00 0.00 3.08 -1.15 -1.90 114.38 114.52 1jva h ARG 638 Ca 0.04 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1jva h ARG 638 Cb 0.64 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 1jva h ARG 638 CO 0.04 0.07 -0.14 0.66 -1.07 0.00 0.00 179.97 179.53 1jva h SER 639 N 0.00 0.00 1.23 7.04 4.64 -1.13 -2.26 113.55 123.07 1jva h SER 639 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jva h SER 639 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1jva h SER 639 CO 0.01 0.14 -0.62 -0.07 -0.87 0.00 0.00 176.83 175.41 1jva h LEU 640 N 0.00 0.00 0.00 5.97 3.38 -1.35 0.85 115.31 124.16 1jva h LEU 640 Ca -0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jva h LEU 640 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jva h LEU 640 CO 0.02 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.18 1jva n GLY 641 N 1.21 1.14 3.82 0.83 0.00 -0.85 -4.87 105.19 106.46 1jva n GLY 641 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1jva n GLY 641 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jva s LEU 642 N 0.00 3.54 -0.17 0.99 1.43 -1.15 -4.90 118.68 118.42 1jva s LEU 642 Ca 0.00 1.73 -0.14 0.00 -1.03 0.00 0.00 54.13 54.69 1jva s LEU 642 Cb 0.00 -4.52 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 1jva s LEU 642 CO 0.00 -0.97 0.31 -0.69 0.23 0.00 0.00 176.35 175.23 1jva s VAL 643 N -2.51 5.28 0.09 -1.59 1.01 0.49 -4.35 120.40 118.82 1jva s VAL 643 Ca 0.62 0.58 0.07 0.00 0.00 0.00 0.00 61.98 63.25 1jva s VAL 643 Cb -0.14 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1jva s VAL 643 CO 0.35 0.36 -0.19 -0.69 0.00 0.00 0.00 175.10 174.93 1jva s VAL 644 N 0.68 1.54 -0.01 2.92 1.01 -1.26 -1.65 120.40 123.63 1jva s VAL 644 Ca 0.17 -1.42 -0.15 0.00 0.00 0.00 0.00 61.98 60.58 1jva s VAL 644 Cb -0.13 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1jva s VAL 644 CO 0.05 -0.06 0.31 -0.94 0.00 0.00 0.00 175.10 174.46 1jva s SER 645 N -1.74 -0.18 0.06 3.32 1.04 -0.77 -5.00 113.70 110.42 1jva s SER 645 Ca 0.04 0.05 0.07 0.00 0.48 0.00 0.00 55.95 56.60 1jva s SER 645 Cb -0.10 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.31 1jva s SER 645 CO 0.03 -0.47 -0.20 -0.69 0.98 0.00 0.00 173.24 172.89 1jva s VAL 646 N -1.50 1.58 0.05 5.02 1.01 -1.26 -0.06 120.40 125.23 1jva s VAL 646 Ca -0.12 -1.29 -0.00 0.00 0.00 0.00 0.00 61.98 60.56 1jva s VAL 646 Cb -0.05 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1jva s VAL 646 CO 0.03 0.07 -0.03 0.20 0.00 0.00 0.00 175.10 175.37 1jva s ASN 647 N -1.44 0.50 -0.30 3.32 0.02 -0.62 -2.75 114.94 113.67 1jva s ASN 647 Ca 0.06 -0.87 -0.09 0.00 -1.02 0.00 0.00 52.86 50.94 1jva s ASN 647 Cb -0.09 0.16 -0.01 0.00 0.02 0.00 0.00 41.25 41.34 1jva s ASN 647 CO 0.03 -0.51 0.12 0.00 0.02 0.00 0.00 177.10 176.76 1jva s ALA 648 N -3.26 3.21 0.71 0.60 0.00 -1.26 -0.87 121.76 120.88 1jva s ALA 648 Ca 0.02 -1.37 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 1jva s ALA 648 Cb 0.03 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.92 1jva s ALA 648 CO -0.07 -0.85 1.05 -1.21 0.00 0.00 0.00 175.76 174.68 1jva s GLU 649 N 1.59 2.45 -0.83 0.00 0.41 0.37 -4.75 118.70 117.93 1jva s GLU 649 Ca 0.04 0.06 -0.21 0.00 -0.41 0.00 0.00 54.97 54.45 1jva s GLU 649 Cb -0.17 -2.10 -0.20 0.00 -1.78 0.00 0.00 34.13 29.88 1jva s GLU 649 CO 0.05 -1.16 2.35 -2.30 -0.49 0.00 0.00 175.26 173.71 1jva n PRO 650 N -2.97 0.41 -2.26 0.39 -0.02 -1.26 -3.27 135.00 126.02 1jva n PRO 650 Ca 0.07 -0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 60.72 1jva n PRO 650 Cb 0.59 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 1jva n PRO 650 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1jva s LYS 661 N 8.32 2.97 -0.24 -0.52 1.02 -1.26 -4.48 119.74 125.55 1jva s LYS 661 Ca 1.07 -0.54 -0.16 0.00 0.02 0.00 0.00 55.97 56.36 1jva s LYS 661 Cb -0.39 -5.09 -0.16 0.00 -0.52 0.00 0.00 37.83 31.66 1jva s LYS 661 CO 0.26 -2.85 -0.08 -0.89 -0.92 0.00 0.00 175.35 170.86 1jva n ILE 662 N 7.41 1.54 -4.15 2.17 5.41 -1.24 -4.99 119.36 125.51 1jva n ILE 662 Ca 0.35 -0.26 -0.25 0.00 1.00 0.00 0.00 62.75 63.59 1jva n ILE 662 Cb 0.49 -1.92 -0.06 0.00 -0.71 0.00 0.00 39.64 37.44 1jva n ILE 662 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 1jva s SER 663 N -7.16 5.17 -0.04 4.38 0.15 -1.20 -4.61 113.70 110.38 1jva s SER 663 Ca -0.34 -0.30 0.01 0.00 0.70 0.00 0.00 55.95 56.03 1jva s SER 663 Cb 0.10 -1.23 0.02 0.00 -1.71 0.00 0.00 66.02 63.20 1jva s SER 663 CO 0.55 0.05 -0.05 -0.31 1.20 0.00 0.00 173.24 174.68 1jva s TYR 664 N -1.88 0.79 -0.21 3.44 2.02 -0.01 -0.48 117.35 121.03 1jva s TYR 664 Ca 0.30 -0.22 -0.04 0.00 -0.37 0.00 0.00 57.07 56.75 1jva s TYR 664 Cb -0.09 -0.67 -0.01 0.00 -0.40 0.00 0.00 41.96 40.79 1jva s TYR 664 CO 0.22 -0.18 -0.05 0.00 -1.57 0.00 0.00 175.55 173.97 1jva s ALA 665 N 0.80 2.82 -0.34 3.71 0.00 -0.05 -0.52 121.76 128.17 1jva s ALA 665 Ca -0.11 -1.11 -0.12 0.00 0.00 0.00 0.00 51.96 50.62 1jva s ALA 665 Cb -0.14 -1.66 -0.00 0.00 0.00 0.00 0.00 23.12 21.32 1jva s ALA 665 CO 0.01 -0.31 0.22 0.42 0.00 0.00 0.00 175.76 176.09 1jva s ILE 666 N 1.28 5.00 -0.11 0.00 1.09 0.09 -1.60 121.20 126.96 1jva s ILE 666 Ca 0.03 -0.40 -0.16 0.00 -1.10 0.00 0.00 60.65 59.02 1jva s ILE 666 Cb -0.14 -3.61 -0.05 0.00 -1.06 0.00 0.00 42.46 37.60 1jva s ILE 666 CO -0.02 -0.05 0.42 -0.31 -0.10 0.00 0.00 174.94 174.88 1jva s TYR 667 N 1.67 3.54 -0.03 3.97 1.51 0.91 -2.00 117.35 126.91 1jva s TYR 667 Ca 0.05 0.84 0.04 0.00 -1.01 0.00 0.00 57.07 56.99 1jva s TYR 667 Cb -0.18 -2.45 -0.00 0.00 -0.11 0.00 0.00 41.96 39.22 1jva s TYR 667 CO 0.09 0.28 -0.14 -1.64 -1.11 0.00 0.00 175.55 173.02 1jva s MET 668 N 0.26 1.45 0.13 -0.62 -1.94 0.46 -1.85 119.30 117.18 1jva s MET 668 Ca 0.23 -0.49 -0.01 0.00 -1.71 0.00 0.00 55.69 53.71 1jva s MET 668 Cb -0.15 -1.29 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 1jva s MET 668 CO 0.09 0.20 0.06 -1.54 -0.01 0.00 0.00 175.02 173.82 1jva s SER 669 N 0.07 0.30 0.00 3.03 1.04 -0.66 -0.45 113.70 117.04 1jva s SER 669 Ca -0.03 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.19 1jva s SER 669 Cb -0.10 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1jva s SER 669 CO 0.01 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1jva n GLY 670 N -0.10 0.00 7.00 7.32 0.00 -1.26 -0.38 105.19 117.77 1jva n GLY 670 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1jva n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jva n GLY 671 N 0.00 3.26 0.36 -0.02 0.00 -1.26 -2.44 105.19 105.10 1jva n GLY 671 Ca 0.00 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.95 1jva n GLY 671 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jva h ASP 672 N 1.82 0.46 -0.92 1.61 3.32 -1.98 0.10 116.42 120.83 1jva h ASP 672 Ca 0.00 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jva h ASP 672 Cb 0.00 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.43 1jva h ASP 672 CO 0.00 0.26 0.59 0.58 -1.72 0.00 0.00 179.24 178.95 1jva h VAL 673 N 0.50 1.24 0.01 -1.35 2.07 -1.86 0.96 116.25 117.82 1jva h VAL 673 Ca 0.33 -0.48 -0.20 0.00 0.82 0.00 0.00 66.70 67.17 1jva h VAL 673 Cb 0.62 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1jva h VAL 673 CO -0.11 0.24 -0.95 0.25 0.02 0.00 0.00 177.57 177.02 1jva h LEU 674 N 1.26 0.03 -0.96 2.57 5.85 -1.11 -3.19 115.31 119.75 1jva h LEU 674 Ca 0.33 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.92 1jva h LEU 674 Cb -0.11 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1jva h LEU 674 CO -0.07 0.96 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.46 1jva h LEU 675 N 0.01 0.12 -1.29 2.25 3.38 -0.09 -1.75 115.31 117.94 1jva h LEU 675 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jva h LEU 675 Cb 1.67 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.39 1jva h LEU 675 CO 0.13 0.58 0.00 -1.13 0.09 0.00 0.00 178.44 178.10 1jva h ASN 676 N 0.09 0.00 0.00 -0.43 -1.24 -0.83 -1.50 115.58 111.68 1jva h ASN 676 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.76 1jva h ASN 676 Cb 0.87 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.88 1jva h ASN 676 CO 0.07 0.00 -1.45 0.52 -1.29 0.00 0.00 177.43 175.27 1jva n VAL 677 N -2.65 1.53 0.29 2.57 0.31 -0.88 -4.35 118.33 115.14 1jva n VAL 677 Ca 0.01 -0.08 0.14 0.00 -0.01 0.00 0.00 64.34 64.40 1jva n VAL 677 Cb 0.22 -2.04 0.85 0.00 -0.91 0.00 0.00 33.84 31.97 1jva n VAL 677 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1jva h LEU 678 N -1.00 0.00 0.00 7.52 3.38 -1.23 -0.52 115.31 123.46 1jva h LEU 678 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1jva h LEU 678 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1jva h LEU 678 CO -0.24 0.03 0.00 -1.54 0.09 0.00 0.00 178.44 176.78 1jva n SER 679 N -3.87 0.00 -0.07 -0.43 3.41 -0.58 -1.54 113.62 110.54 1jva n SER 679 Ca -0.03 0.09 0.09 0.00 -0.26 0.00 0.00 58.87 58.76 1jva n SER 679 Cb 0.11 -0.31 -0.08 0.00 -0.26 0.00 0.00 64.21 63.67 1jva n SER 679 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jva n LYS 680 N -1.31 1.20 -1.72 4.33 5.02 -0.20 -4.87 118.16 120.60 1jva n LYS 680 Ca 0.08 -0.15 -0.29 0.00 -2.02 0.00 0.00 58.31 55.92 1jva n LYS 680 Cb 0.15 -1.34 0.09 0.00 -0.02 0.00 0.00 35.03 33.91 1jva n LYS 680 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jva n ALA 682 N -3.39 1.58 -1.71 0.00 0.00 -1.26 -4.62 120.51 111.12 1jva n ALA 682 Ca 0.07 -0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1jva n ALA 682 Cb 0.59 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.03 1jva n ALA 682 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jva n GLY 683 N 0.73 0.63 0.18 0.00 0.00 -1.26 -3.26 105.19 102.22 1jva n GLY 683 Ca 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 46.02 46.26 1jva n GLY 683 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1jva h SER 684 N 2.46 -0.02 -0.71 1.61 0.87 -1.94 -1.86 113.55 113.97 1jva h SER 684 Ca -0.47 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1jva h SER 684 Cb 1.28 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.35 1jva h SER 684 CO 0.62 0.03 0.00 0.29 -0.53 0.00 0.00 176.83 177.24 1jva n LYS 685 N -5.11 2.66 -0.12 2.24 4.76 -1.26 -4.41 118.16 116.92 1jva n LYS 685 Ca 0.04 -2.55 -0.22 0.00 -2.87 0.00 0.00 58.31 52.71 1jva n LYS 685 Cb 0.20 -1.55 -0.09 0.00 -1.84 0.00 0.00 35.03 31.75 1jva n LYS 685 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1jva n LYS 686 N 1.56 0.53 -1.71 1.97 4.76 -0.81 -4.40 118.16 120.05 1jva n LYS 686 Ca 0.24 0.19 -0.43 0.00 -2.87 0.00 0.00 58.31 55.43 1jva n LYS 686 Cb 0.60 -1.39 -0.02 0.00 -1.84 0.00 0.00 35.03 32.38 1jva n LYS 686 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1jva n PHE 687 N -3.71 2.45 -3.99 2.13 7.35 -0.76 -4.86 117.46 116.06 1jva n PHE 687 Ca -0.44 0.43 -0.14 0.00 -0.76 0.00 0.00 57.45 56.53 1jva n PHE 687 Cb 0.87 -2.49 -0.15 0.00 0.35 0.00 0.00 39.48 38.07 1jva n PHE 687 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1jva s ARG 688 N -1.04 0.21 0.49 -4.13 1.81 -1.14 -4.97 118.95 110.17 1jva s ARG 688 Ca 0.62 -0.05 -0.23 0.00 -1.72 0.00 0.00 55.73 54.34 1jva s ARG 688 Cb -0.57 -0.24 -0.07 0.00 -0.45 0.00 0.00 34.95 33.62 1jva s ARG 688 CO 0.55 0.02 1.26 -2.30 -0.68 0.00 0.00 175.30 174.15 1jva n PRO 689 N 3.22 1.71 -0.67 3.54 -0.02 -1.26 -2.55 135.00 138.97 1jva n PRO 689 Ca -0.15 0.62 -0.31 0.00 -2.02 0.00 0.00 63.50 61.64 1jva n PRO 689 Cb 0.58 -2.43 0.17 0.00 -0.02 0.00 0.00 33.50 31.79 1jva n PRO 689 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jva n ALA 690 N -0.72 -0.92 -1.06 3.55 0.00 -1.26 -4.80 120.51 115.29 1jva n ALA 690 Ca 0.09 -0.57 -0.36 0.00 0.00 0.00 0.00 53.44 52.60 1jva n ALA 690 Cb 0.43 -2.18 0.06 0.00 0.00 0.00 0.00 19.45 17.75 1jva n ALA 690 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jva n PRO 691 N -4.16 0.01 0.00 0.00 -0.02 -1.26 -4.84 135.00 124.72 1jva n PRO 691 Ca 0.12 0.02 0.14 0.00 -2.02 0.00 0.00 63.50 61.76 1jva n PRO 691 Cb 0.52 -1.34 0.75 0.00 -0.02 0.00 0.00 33.50 33.41 1jva n PRO 691 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jva n ALA 692 N -2.49 2.45 -3.88 3.55 0.00 -1.26 -4.91 120.51 113.98 1jva n ALA 692 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1jva n ALA 692 Cb 0.53 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.51 1jva n ALA 692 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jva s ALA 693 N -2.52 -2.11 0.65 0.00 0.00 -1.26 -5.15 121.76 111.38 1jva s ALA 693 Ca 0.29 0.04 -0.17 0.00 0.00 0.00 0.00 51.96 52.12 1jva s ALA 693 Cb 0.20 0.74 -0.00 0.00 0.00 0.00 0.00 23.12 24.05 1jva s ALA 693 CO 0.43 -1.10 1.25 0.00 0.00 0.00 0.00 175.76 176.34 1jva s ALA 694 N -2.21 2.35 -0.04 0.00 0.00 -1.26 -5.02 121.76 115.58 1jva s ALA 694 Ca 0.23 1.07 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 1jva s ALA 694 Cb -0.00 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.63 1jva s ALA 694 CO 0.01 -1.56 0.21 -0.59 0.00 0.00 0.00 175.76 173.83 1jva s PHE 695 N -1.60 -0.13 0.20 0.00 -0.71 -1.26 -5.15 117.98 109.33 1jva s PHE 695 Ca 0.79 0.27 -0.12 0.00 -1.04 0.00 0.00 56.93 56.83 1jva s PHE 695 Cb -0.33 0.04 -0.07 0.00 -1.21 0.00 0.00 43.02 41.44 1jva s PHE 695 CO 0.39 -0.24 0.57 0.00 -1.34 0.00 0.00 175.22 174.60 1jva s ALA 696 N -0.74 3.55 -0.87 1.99 0.00 -1.26 -5.00 121.76 119.42 1jva s ALA 696 Ca -0.08 -0.18 -0.20 0.00 0.00 0.00 0.00 51.96 51.50 1jva s ALA 696 Cb -0.05 -2.51 0.11 0.00 0.00 0.00 0.00 23.12 20.68 1jva s ALA 696 CO 0.02 0.47 1.10 1.03 0.00 0.00 0.00 175.76 178.38 1jva s ARG 697 N -2.46 3.48 0.79 0.00 0.52 -1.26 -4.99 118.95 115.03 1jva s ARG 697 Ca 0.44 -1.52 -0.13 0.00 -0.52 0.00 0.00 55.73 54.00 1jva s ARG 697 Cb -0.13 -4.79 0.07 0.00 0.52 0.00 0.00 34.95 30.63 1jva s ARG 697 CO 0.20 -1.80 1.19 -1.21 0.02 0.00 0.00 175.30 173.70 1jva s GLU 698 N 3.11 1.78 0.42 3.54 8.01 -1.26 -4.68 118.70 129.62 1jva s GLU 698 Ca 0.31 1.71 -0.23 0.00 0.01 0.00 0.00 54.97 56.77 1jva s GLU 698 Cb -0.07 -1.80 -0.09 0.00 -4.31 0.00 0.00 34.13 27.86 1jva s GLU 698 CO -0.05 -2.10 1.04 0.00 0.01 0.00 0.00 175.26 174.17 1jva s ARG 700 N -2.71 2.89 0.21 0.00 1.81 -0.55 -4.91 118.95 115.69 1jva s ARG 700 Ca 0.60 -0.54 0.04 0.00 -1.72 0.00 0.00 55.73 54.11 1jva s ARG 700 Cb -0.20 -2.74 -0.03 0.00 -0.45 0.00 0.00 34.95 31.53 1jva s ARG 700 CO 0.25 0.64 0.34 0.20 -0.68 0.00 0.00 175.30 176.05 1jva s GLY 701 N -1.48 1.37 -0.08 -3.53 0.00 -1.26 -0.19 107.32 102.15 1jva s GLY 701 Ca 0.19 -1.16 -0.05 0.00 0.00 0.00 0.00 44.72 43.69 1jva s GLY 701 CO 0.10 -1.18 0.20 -0.11 0.00 0.00 0.00 173.10 172.11 1jva s PHE 702 N -1.91 -0.24 0.62 1.90 -0.71 -0.63 -4.94 117.98 112.08 1jva s PHE 702 Ca 0.34 0.59 -0.14 0.00 -1.04 0.00 0.00 56.93 56.69 1jva s PHE 702 Cb -0.10 0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 1jva s PHE 702 CO 0.29 -0.16 1.05 0.71 -1.34 0.00 0.00 175.22 175.77 1jva s TYR 703 N 0.70 3.11 0.22 3.49 2.02 -1.26 -2.07 117.35 123.56 1jva s TYR 703 Ca -0.05 1.47 -0.08 0.00 -0.37 0.00 0.00 57.07 58.04 1jva s TYR 703 Cb -0.06 -2.93 -0.02 0.00 -0.40 0.00 0.00 41.96 38.55 1jva s TYR 703 CO -0.04 -1.05 0.31 -0.59 -1.57 0.00 0.00 175.55 172.61 1jva s PHE 704 N -2.71 0.67 0.01 2.71 -0.71 -1.26 -1.04 117.98 115.66 1jva s PHE 704 Ca 0.61 -0.98 0.07 0.00 -1.04 0.00 0.00 56.93 55.59 1jva s PHE 704 Cb -0.14 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.51 1jva s PHE 704 CO 0.43 -0.82 -0.22 -1.21 -1.34 0.00 0.00 175.22 172.07 1jva s GLU 705 N -4.07 1.65 -0.11 1.99 2.02 0.57 -4.65 118.70 116.10 1jva s GLU 705 Ca 0.28 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.40 1jva s GLU 705 Cb 0.03 -1.68 -0.02 0.00 0.10 0.00 0.00 34.13 32.57 1jva s GLU 705 CO 0.09 0.45 -0.14 -1.17 0.02 0.00 0.00 175.26 174.50 1jva s LEU 706 N -0.82 2.67 -0.23 1.80 2.96 -1.26 -1.38 118.68 122.43 1jva s LEU 706 Ca 0.09 -0.32 0.01 0.00 -0.22 0.00 0.00 54.13 53.69 1jva s LEU 706 Cb -0.09 -1.59 0.06 0.00 0.50 0.00 0.00 46.19 45.07 1jva s LEU 706 CO 0.00 0.20 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.57 1jva s GLN 707 N 0.16 1.93 0.04 1.98 2.00 -0.99 -4.98 119.66 119.80 1jva s GLN 707 Ca -0.08 -1.06 -0.30 0.00 -2.00 0.00 0.00 55.36 51.92 1jva s GLN 707 Cb -0.15 -2.64 -0.07 0.00 0.80 0.00 0.00 33.01 30.95 1jva s GLN 707 CO 0.05 -0.54 1.59 -2.00 -0.50 0.00 0.00 175.29 173.89 1jva s GLU 708 N 1.30 4.22 0.42 1.67 2.12 -1.26 -2.23 118.70 124.94 1jva s GLU 708 Ca -0.06 2.22 0.07 0.00 0.36 0.00 0.00 54.97 57.57 1jva s GLU 708 Cb -0.18 -3.64 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 1jva s GLU 708 CO -0.06 -0.71 0.28 -0.51 -0.54 0.00 0.00 175.26 173.72 1jva s LEU 709 N 2.76 3.22 0.00 2.70 1.43 0.18 -4.99 118.68 123.98 1jva s LEU 709 Ca 0.71 -0.94 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1jva s LEU 709 Cb -0.37 -1.71 0.08 0.00 0.03 0.00 0.00 46.19 44.23 1jva s LEU 709 CO 0.30 -0.63 0.28 2.29 0.23 0.00 0.00 176.35 178.83 1jva n LYS 710 N -1.41 -1.68 -3.05 1.70 2.85 -1.26 -3.32 118.16 111.99 1jva n LYS 710 Ca 0.01 -0.45 -0.33 0.00 -1.05 0.00 0.00 58.31 56.50 1jva n LYS 710 Cb 0.63 -0.43 -0.06 0.00 -0.65 0.00 0.00 35.03 34.52 1jva n LYS 710 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1jva s GLU 711 N -3.64 4.07 0.23 -1.58 2.02 -1.26 -2.64 118.70 115.90 1jva s GLU 711 Ca 0.18 0.79 -0.22 0.00 0.02 0.00 0.00 54.97 55.75 1jva s GLU 711 Cb -0.02 -2.38 0.05 0.00 0.10 0.00 0.00 34.13 31.89 1jva s GLU 711 CO 0.14 0.11 0.89 -0.51 0.02 0.00 0.00 175.26 175.91 1jva s ASP 712 N -2.23 -0.13 0.31 -0.19 1.11 -1.20 -4.96 116.67 109.38 1jva s ASP 712 Ca 0.56 -0.65 -0.28 0.00 0.18 0.00 0.00 52.55 52.36 1jva s ASP 712 Cb -0.10 0.62 -0.09 0.00 1.07 0.00 0.00 42.92 44.41 1jva s ASP 712 CO 0.16 -1.18 1.12 -1.81 1.18 0.00 0.00 175.17 174.64 1jva s ASP 713 N -3.05 7.08 0.09 0.27 1.01 -1.26 -2.92 116.67 117.88 1jva s ASP 713 Ca 0.14 2.28 0.09 0.00 0.71 0.00 0.00 52.55 55.77 1jva s ASP 713 Cb -0.03 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 1jva s ASP 713 CO 0.06 -0.28 -0.22 -0.72 0.21 0.00 0.00 175.17 174.21 1jva s TYR 714 N -1.26 1.92 -0.14 4.23 -0.85 0.14 -4.27 117.35 117.12 1jva s TYR 714 Ca 0.48 -0.40 0.01 0.00 -0.52 0.00 0.00 57.07 56.64 1jva s TYR 714 Cb -0.31 -1.08 0.02 0.00 0.38 0.00 0.00 41.96 40.97 1jva s TYR 714 CO 0.40 0.20 -0.16 0.71 -1.52 0.00 0.00 175.55 175.18 1jva s TYR 715 N -1.03 2.24 0.31 -3.49 1.51 0.33 -3.22 117.35 114.00 1jva s TYR 715 Ca 0.08 -1.21 0.11 0.00 -1.01 0.00 0.00 57.07 55.04 1jva s TYR 715 Cb -0.10 -1.61 -0.05 0.00 -0.11 0.00 0.00 41.96 40.09 1jva s TYR 715 CO 0.04 -0.63 -0.12 0.20 -1.11 0.00 0.00 175.55 173.93 1jva s GLY 716 N 1.27 1.99 -0.09 0.71 0.00 -0.90 -1.39 107.32 108.91 1jva s GLY 716 Ca 0.01 -1.94 0.02 0.00 0.00 0.00 0.00 44.72 42.81 1jva s GLY 716 CO -0.08 -1.96 -0.12 -0.42 0.00 0.00 0.00 173.10 170.52 1jva s ILE 717 N -2.53 1.25 -0.14 0.90 1.09 -1.26 -2.55 121.20 117.96 1jva s ILE 717 Ca 0.32 -0.50 -0.06 0.00 -1.10 0.00 0.00 60.65 59.30 1jva s ILE 717 Cb -0.02 -1.17 -0.04 0.00 -1.06 0.00 0.00 42.46 40.17 1jva s ILE 717 CO 0.17 0.39 0.07 -0.89 -0.10 0.00 0.00 174.94 174.58 1jva s THR 718 N 0.99 4.89 0.58 2.92 2.01 -1.12 0.11 115.64 126.02 1jva s THR 718 Ca -0.08 -0.01 0.08 0.00 0.31 0.00 0.00 61.69 62.00 1jva s THR 718 Cb -0.15 -3.15 0.08 0.00 0.01 0.00 0.00 72.50 69.29 1jva s THR 718 CO -0.01 0.54 0.70 -0.76 -0.69 0.00 0.00 174.62 174.40 1jva s LEU 719 N -0.30 2.90 1.27 4.42 1.43 -1.26 -0.85 118.68 126.30 1jva s LEU 719 Ca 0.09 -1.03 -0.18 0.00 -1.03 0.00 0.00 54.13 51.98 1jva s LEU 719 Cb -0.12 -1.37 0.32 0.00 0.03 0.00 0.00 46.19 45.04 1jva s LEU 719 CO 0.01 -1.35 1.00 -0.94 0.23 0.00 0.00 176.35 175.31 1jva s SER 720 N -4.59 0.16 0.10 2.29 1.04 -1.25 -4.76 113.70 106.69 1jva s SER 720 Ca 0.53 1.07 0.08 0.00 0.48 0.00 0.00 55.95 58.11 1jva s SER 720 Cb -0.04 -1.59 -0.20 0.00 0.10 0.00 0.00 66.02 64.28 1jva s SER 720 CO 0.34 -4.64 1.17 0.44 0.98 0.00 0.00 173.24 171.53 1jva h ASP 721 N -2.93 0.00 0.55 7.02 5.19 -1.99 -3.30 116.42 120.96 1jva h ASP 721 Ca -0.51 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.90 1jva h ASP 721 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1jva h ASP 721 CO 0.40 0.98 -0.49 -0.90 -3.12 0.00 0.00 179.24 176.10 1jva n ASP 722 N -3.29 0.49 -4.73 6.45 5.68 -1.26 -4.94 116.55 114.95 1jva n ASP 722 Ca -0.03 -0.18 -0.29 0.00 -0.50 0.00 0.00 54.79 53.78 1jva n ASP 722 Cb 0.95 0.21 0.14 0.00 -1.14 0.00 0.00 41.12 41.28 1jva n ASP 722 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1jva s SER 723 N -3.11 3.45 0.00 -1.12 1.04 -1.25 -4.90 113.70 107.82 1jva s SER 723 Ca 0.11 1.28 0.18 0.00 0.48 0.00 0.00 55.95 58.01 1jva s SER 723 Cb 0.17 -1.96 1.00 0.00 0.10 0.00 0.00 66.02 65.33 1jva s SER 723 CO 0.69 -2.63 1.54 -0.90 0.98 0.00 0.00 173.24 172.93 1jva n ASP 724 N -3.85 0.00 -1.31 7.02 5.75 -1.26 -4.86 116.55 118.04 1jva n ASP 724 Ca 0.06 -0.20 -0.13 0.00 -0.01 0.00 0.00 54.79 54.51 1jva n ASP 724 Cb 0.57 -0.18 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 1jva n ASP 724 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1jva n HIS 725 N -1.18 -0.36 -4.04 2.11 8.25 -1.26 -5.00 115.22 113.74 1jva n HIS 725 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.45 1jva n HIS 725 Cb 0.12 -2.69 -0.11 0.00 1.12 0.00 0.00 29.99 28.42 1jva n HIS 725 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1jva s GLN 726 N -3.99 0.48 0.22 -0.41 -0.21 -1.26 -0.87 119.66 113.61 1jva s GLN 726 Ca 0.00 -0.74 -0.12 0.00 0.02 0.00 0.00 55.36 54.52 1jva s GLN 726 Cb 0.00 -0.17 -0.00 0.00 1.00 0.00 0.00 33.01 33.84 1jva s GLN 726 CO 0.00 0.02 0.43 -0.59 -2.12 0.00 0.00 175.29 173.03 1jva s PHE 727 N -1.50 0.35 -0.02 0.91 -0.71 -0.91 -4.56 117.98 111.55 1jva s PHE 727 Ca -0.11 -0.70 -0.00 0.00 -1.04 0.00 0.00 56.93 55.08 1jva s PHE 727 Cb -0.09 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1jva s PHE 727 CO -0.00 -0.92 0.05 -0.51 -1.34 0.00 0.00 175.22 172.50 1jva s LEU 728 N -3.00 3.75 0.73 -1.99 1.43 -0.23 -1.67 118.68 117.70 1jva s LEU 728 Ca 0.21 0.10 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 1jva s LEU 728 Cb 0.00 -2.13 0.07 0.00 0.03 0.00 0.00 46.19 44.17 1jva s LEU 728 CO 0.06 0.29 1.05 -0.76 0.23 0.00 0.00 176.35 177.22 1jva s LEU 729 N -1.56 2.78 0.53 1.79 1.43 -0.63 -2.15 118.68 120.87 1jva s LEU 729 Ca 0.20 0.46 0.22 0.00 -1.03 0.00 0.00 54.13 53.98 1jva s LEU 729 Cb -0.12 -3.05 1.37 0.00 0.03 0.00 0.00 46.19 44.43 1jva s LEU 729 CO 0.11 -1.69 2.05 0.00 0.23 0.00 0.00 176.35 177.05 1jva h ALA 730 N -0.69 2.29 -0.30 4.21 0.00 -1.25 0.17 119.26 123.67 1jva h ALA 730 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1jva h ALA 730 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1jva h ALA 730 CO 0.59 -0.41 0.00 0.27 0.00 0.00 0.00 179.25 179.70 1jva n ASN 731 N -4.39 2.59 0.00 0.00 0.23 -1.26 -4.86 115.26 107.57 1jva n ASN 731 Ca 0.05 -2.23 0.00 0.00 -0.53 0.00 0.00 54.58 51.86 1jva n ASN 731 Cb 0.42 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 1jva n ASN 731 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1jva n GLN 732 N 0.39 -0.12 -2.22 -3.83 6.02 0.58 -4.95 117.38 113.26 1jva n GLN 732 Ca 0.12 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 1jva n GLN 732 Cb 0.51 -3.29 -0.03 0.00 1.02 0.00 0.00 30.24 28.45 1jva n GLN 732 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1jva s VAL 733 N -2.73 3.55 -0.59 5.09 1.01 -1.26 -1.09 120.40 124.39 1jva s VAL 733 Ca 0.00 1.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.76 1jva s VAL 733 Cb 0.00 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.73 1jva s VAL 733 CO 0.00 0.05 1.25 -0.69 0.00 0.00 0.00 175.10 175.71 1jva s VAL 734 N 1.56 3.94 0.33 2.92 1.01 -0.18 -1.60 120.40 128.38 1jva s VAL 734 Ca 0.64 0.81 0.08 0.00 0.00 0.00 0.00 61.98 63.51 1jva s VAL 734 Cb -0.34 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.33 1jva s VAL 734 CO 0.29 -1.34 0.19 0.68 0.00 0.00 0.00 175.10 174.91 1jva s VAL 735 N 5.27 3.32 0.16 2.92 -7.23 -0.67 -4.45 120.40 119.73 1jva s VAL 735 Ca 0.45 -1.58 -0.13 0.00 -1.81 0.00 0.00 61.98 58.91 1jva s VAL 735 Cb -0.08 -3.07 -0.07 0.00 0.56 0.00 0.00 36.38 33.72 1jva s VAL 735 CO 0.25 -0.20 0.54 -2.28 -0.31 0.00 0.00 175.10 173.09 1jva s HIS 736 N -2.36 3.56 0.63 2.82 2.46 -1.25 -2.13 115.29 119.02 1jva s HIS 736 Ca 0.38 0.99 -0.18 0.00 0.47 0.00 0.00 55.06 56.72 1jva s HIS 736 Cb -0.04 -2.33 -0.02 0.00 -0.13 0.00 0.00 32.58 30.06 1jva s HIS 736 CO 0.24 0.39 1.27 0.45 -2.47 0.00 0.00 174.74 174.62 1jva s SER 737 N -1.89 4.74 -0.53 9.88 0.15 -0.05 -4.89 113.70 121.11 1jva s SER 737 Ca 0.40 2.56 -0.24 0.00 0.70 0.00 0.00 55.95 59.37 1jva s SER 737 Cb -0.14 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.60 1jva s SER 737 CO 0.20 -1.91 0.92 -0.44 1.20 0.00 0.00 173.24 173.21 1jva s SER 738 N -1.45 6.36 0.20 5.45 0.01 0.29 -4.86 113.70 119.70 1jva s SER 738 Ca 0.81 -0.29 -0.22 0.00 1.31 0.00 0.00 55.95 57.56 1jva s SER 738 Cb -0.36 -2.43 0.05 0.00 0.21 0.00 0.00 66.02 63.50 1jva s SER 738 CO 0.38 -1.17 0.64 -0.83 0.41 0.00 0.00 173.24 172.67 1jva s GLY 739 N 2.71 -0.45 1.07 3.44 0.00 -1.26 -3.68 107.32 109.16 1jva s GLY 739 Ca 0.31 0.23 -0.18 0.00 0.00 0.00 0.00 44.72 45.08 1jva s GLY 739 CO 0.20 0.08 1.08 1.18 0.00 0.00 0.00 173.10 175.64 1jva n GLU 740 N -0.41 -2.46 0.00 2.90 4.71 -1.26 -4.40 120.64 119.72 1jva n GLU 740 Ca -0.13 -1.71 0.00 0.00 -0.01 0.00 0.00 57.16 55.32 1jva n GLU 740 Cb 0.63 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.62 1jva n GLU 740 CO 0.00 0.00 0.00 2.89 0.09 0.00 0.00 177.13 180.11