#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h72 n ALA 321 N 0.00 2.10 -3.72 4.61 0.00 -1.26 -4.74 120.51 117.51 3h72 n ALA 321 Ca 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 53.44 53.62 3h72 n ALA 321 Cb 0.00 -2.38 -0.16 0.00 0.00 0.00 0.00 19.45 16.91 3h72 n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h72 s ALA 322 N -1.11 0.06 -0.06 0.00 0.00 -1.26 -4.90 121.76 114.49 3h72 s ALA 322 Ca 0.54 0.35 -0.02 0.00 0.00 0.00 0.00 51.96 52.82 3h72 s ALA 322 Cb -0.50 -0.49 0.04 0.00 0.00 0.00 0.00 23.12 22.17 3h72 s ALA 322 CO 0.63 -0.32 0.10 -1.17 0.00 0.00 0.00 175.76 175.01 3h72 s LEU 323 N 1.65 0.32 0.70 0.00 2.96 -1.26 -2.48 118.68 120.57 3h72 s LEU 323 Ca -0.02 0.20 -0.11 0.00 -0.22 0.00 0.00 54.13 53.97 3h72 s LEU 323 Cb -0.12 0.10 0.01 0.00 0.50 0.00 0.00 46.19 46.67 3h72 s LEU 323 CO -0.04 -0.21 1.07 0.42 -1.32 0.00 0.00 176.35 176.27 3h72 s THR 324 N 1.87 3.91 0.63 3.68 -4.23 -0.20 -4.99 115.64 116.31 3h72 s THR 324 Ca -0.00 0.62 -0.16 0.00 -1.18 0.00 0.00 61.69 60.97 3h72 s THR 324 Cb -0.12 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.24 3h72 s THR 324 CO -0.04 -0.81 1.12 -1.61 -0.54 0.00 0.00 174.62 172.74 3h72 s GLU 325 N -5.15 2.89 0.31 3.99 2.02 -1.26 -4.61 118.70 116.88 3h72 s GLU 325 Ca 0.58 1.48 -0.29 0.00 0.02 0.00 0.00 54.97 56.76 3h72 s GLU 325 Cb -0.13 -1.95 -0.10 0.00 0.10 0.00 0.00 34.13 32.05 3h72 s GLU 325 CO 0.54 -1.20 1.17 -1.59 0.02 0.00 0.00 175.26 174.20 3h72 s LYS 326 N -3.87 4.48 -0.14 1.61 -2.85 -1.26 -4.73 119.74 112.98 3h72 s LYS 326 Ca 0.69 1.92 0.02 0.00 -1.00 0.00 0.00 55.97 57.60 3h72 s LYS 326 Cb -0.22 -3.08 0.01 0.00 -2.06 0.00 0.00 37.83 32.47 3h72 s LYS 326 CO 0.38 0.03 -0.21 0.99 0.10 0.00 0.00 175.35 176.64 3h72 s THR 327 N -1.20 2.17 -0.21 3.79 2.01 -0.22 -4.92 115.64 117.06 3h72 s THR 327 Ca 0.47 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 61.25 3h72 s THR 327 Cb -0.34 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.30 3h72 s THR 327 CO 0.44 0.54 1.00 -1.81 -0.69 0.00 0.00 174.62 174.10 3h72 s ASP 328 N 0.84 7.08 -0.21 3.53 1.01 -1.26 0.31 116.67 127.96 3h72 s ASP 328 Ca -0.06 1.35 -0.06 0.00 0.71 0.00 0.00 52.55 54.49 3h72 s ASP 328 Cb -0.15 -2.53 -0.20 0.00 1.01 0.00 0.00 42.92 41.05 3h72 s ASP 328 CO -0.02 -0.61 0.01 -0.38 0.21 0.00 0.00 175.17 174.37 3h72 n ILE 329 N 5.20 1.60 -3.87 0.77 2.08 0.26 -4.82 119.36 120.58 3h72 n ILE 329 Ca 0.11 -0.52 -0.30 0.00 0.56 0.00 0.00 62.75 62.60 3h72 n ILE 329 Cb 0.47 -1.66 -0.16 0.00 -0.75 0.00 0.00 39.64 37.54 3h72 n ILE 329 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3h72 s PHE 330 N -2.52 2.00 -0.21 1.39 0.08 -0.95 -5.01 117.98 112.77 3h72 s PHE 330 Ca -0.30 -1.55 -0.16 0.00 0.12 0.00 0.00 56.93 55.04 3h72 s PHE 330 Cb 0.09 -1.48 -0.04 0.00 -0.57 0.00 0.00 43.02 41.02 3h72 s PHE 330 CO 0.64 -0.74 0.41 -1.21 -0.10 0.00 0.00 175.22 174.22 3h72 s GLU 331 N 1.53 4.17 0.73 0.44 2.02 -1.26 -0.85 118.70 125.47 3h72 s GLU 331 Ca -0.03 0.21 -0.08 0.00 0.02 0.00 0.00 54.97 55.10 3h72 s GLU 331 Cb -0.18 -3.55 0.06 0.00 0.10 0.00 0.00 34.13 30.57 3h72 s GLU 331 CO -0.08 -0.06 1.05 -1.54 0.02 0.00 0.00 175.26 174.64 3h72 s SER 332 N 1.09 4.75 0.83 -0.19 1.04 -1.26 -4.86 113.70 115.10 3h72 s SER 332 Ca 0.19 0.53 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3h72 s SER 332 Cb -0.15 -1.15 0.00 0.00 0.10 0.00 0.00 66.02 64.82 3h72 s SER 332 CO 0.08 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.25 3h72 n GLY 333 N -3.01 -0.82 3.08 7.32 0.00 -0.66 -4.75 105.19 106.35 3h72 n GLY 333 Ca 0.08 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.29 3h72 n GLY 333 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h72 s ARG 334 N -2.63 0.58 -1.34 1.61 1.70 -1.20 -0.27 118.95 117.40 3h72 s ARG 334 Ca 0.00 -1.00 -0.01 0.00 -0.47 0.00 0.00 55.73 54.25 3h72 s ARG 334 Cb 0.00 -0.03 0.01 0.00 -0.57 0.00 0.00 34.95 34.36 3h72 s ARG 334 CO 0.00 -0.04 0.09 0.09 -1.08 0.00 0.00 175.30 174.37 3h72 n ASN 335 N 0.73 -4.71 0.00 -2.89 4.13 -0.33 -0.92 115.26 111.27 3h72 n ASN 335 Ca -0.18 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.12 3h72 n ASN 335 Cb 0.58 -3.94 0.00 0.00 -1.54 0.00 0.00 39.78 34.88 3h72 n ASN 335 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h72 n GLY 336 N -0.96 0.80 3.92 7.41 0.00 -1.26 -5.04 105.19 110.06 3h72 n GLY 336 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.59 3h72 n GLY 336 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h72 s LYS 337 N -0.05 3.56 0.72 1.61 1.02 -0.10 -5.04 119.74 121.47 3h72 s LYS 337 Ca 0.00 -0.13 -0.12 0.00 0.02 0.00 0.00 55.97 55.74 3h72 s LYS 337 Cb 0.00 -2.65 0.03 0.00 -0.52 0.00 0.00 37.83 34.69 3h72 s LYS 337 CO 0.00 0.17 1.08 -2.14 -0.92 0.00 0.00 175.35 173.54 3h72 s PRO 338 N -3.91 2.62 0.00 -1.68 0.02 -1.26 -3.21 135.00 127.57 3h72 s PRO 338 Ca 0.42 1.14 0.00 0.00 0.02 0.00 0.00 61.00 62.58 3h72 s PRO 338 Cb -0.10 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.48 3h72 s PRO 338 CO 0.33 -1.36 0.00 0.27 -0.33 0.00 0.00 177.00 175.91 3h72 n ASN 339 N -3.13 0.00 0.28 2.53 2.04 0.19 -4.64 115.26 112.53 3h72 n ASN 339 Ca 0.09 -0.83 0.17 0.00 -0.44 0.00 0.00 54.58 53.57 3h72 n ASN 339 Cb 0.53 0.00 0.95 0.00 -2.53 0.00 0.00 39.78 38.73 3h72 n ASN 339 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 3h72 h LYS 340 N 0.00 0.00 -0.66 -3.83 2.10 -1.90 -0.49 116.57 111.79 3h72 h LYS 340 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3h72 h LYS 340 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3h72 h LYS 340 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3h72 n ASP 341 N -3.64 3.82 0.00 7.07 8.00 -1.26 -4.93 116.55 125.61 3h72 n ASP 341 Ca -0.02 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.49 3h72 n ASP 341 Cb 0.16 -0.44 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 3h72 n ASP 341 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h72 n GLY 342 N 1.56 0.41 3.52 0.44 0.00 -0.19 -5.04 105.19 105.89 3h72 n GLY 342 Ca 0.23 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 3h72 n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h72 s ILE 343 N -2.00 4.04 0.03 -0.61 1.01 -1.26 -4.68 121.20 117.74 3h72 s ILE 343 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 3h72 s ILE 343 Cb 0.00 -2.79 -0.35 0.00 0.01 0.00 0.00 42.46 39.34 3h72 s ILE 343 CO 0.00 0.48 1.02 0.11 0.00 0.00 0.00 174.94 176.55 3h72 h LYS 344 N 6.77 0.56 -3.88 2.79 1.57 -1.38 0.53 116.57 123.53 3h72 h LYS 344 Ca -0.32 -0.92 -0.12 0.00 -1.87 0.00 0.00 60.65 57.41 3h72 h LYS 344 Cb 1.19 0.34 -0.17 0.00 0.08 0.00 0.00 32.23 33.66 3h72 h LYS 344 CO 0.64 1.44 -0.54 0.45 -0.57 0.00 0.00 179.45 180.87 3h72 s SER 345 N -7.57 0.22 0.01 0.86 0.15 -0.54 -1.66 113.70 105.17 3h72 s SER 345 Ca -0.09 -0.62 0.05 0.00 0.70 0.00 0.00 55.95 55.99 3h72 s SER 345 Cb 0.04 0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.57 3h72 s SER 345 CO 0.95 -0.54 -0.15 -0.31 1.20 0.00 0.00 173.24 174.39 3h72 s TYR 346 N -2.92 1.33 0.26 3.44 2.02 -1.14 -0.84 117.35 119.49 3h72 s TYR 346 Ca -0.02 -0.29 -0.15 0.00 -0.37 0.00 0.00 57.07 56.23 3h72 s TYR 346 Cb 0.01 -0.83 0.00 0.00 -0.40 0.00 0.00 41.96 40.74 3h72 s TYR 346 CO -0.06 0.01 0.54 1.03 -1.57 0.00 0.00 175.55 175.50 3h72 s ARG 347 N -0.68 1.61 -0.61 -0.62 0.52 -0.82 -0.88 118.95 117.46 3h72 s ARG 347 Ca 0.04 -1.18 -0.07 0.00 -0.52 0.00 0.00 55.73 54.00 3h72 s ARG 347 Cb -0.07 0.51 0.01 0.00 0.52 0.00 0.00 34.95 35.92 3h72 s ARG 347 CO 0.00 -0.69 0.66 -0.89 0.02 0.00 0.00 175.30 174.40 3h72 n ILE 348 N -0.40-10.19 -2.45 1.52 2.08 -1.26 -0.05 119.36 108.61 3h72 n ILE 348 Ca -0.02 0.23 -0.34 0.00 0.56 0.00 0.00 62.75 63.17 3h72 n ILE 348 Cb 0.61 -6.88 -0.02 0.00 -0.75 0.00 0.00 39.64 32.60 3h72 n ILE 348 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3h72 s PRO 349 N -2.90 3.66 -0.05 0.38 0.04 -1.26 -4.00 135.00 130.87 3h72 s PRO 349 Ca 0.11 1.43 -0.02 0.00 0.04 0.00 0.00 61.00 62.56 3h72 s PRO 349 Cb -0.03 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.48 3h72 s PRO 349 CO 0.77 -0.56 0.10 0.00 0.04 0.00 0.00 177.00 177.34 3h72 s ALA 350 N -1.93 -0.07 -0.11 8.56 0.00 -0.60 -4.22 121.76 123.39 3h72 s ALA 350 Ca 0.69 0.47 0.03 0.00 0.00 0.00 0.00 51.96 53.15 3h72 s ALA 350 Cb -0.18 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3h72 s ALA 350 CO 0.22 -0.26 -0.20 -1.17 0.00 0.00 0.00 175.76 174.36 3h72 s LEU 351 N 1.48 1.95 -0.05 0.00 2.96 -1.26 0.32 118.68 124.09 3h72 s LEU 351 Ca -0.05 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.36 3h72 s LEU 351 Cb -0.12 -1.27 0.02 0.00 0.50 0.00 0.00 46.19 45.32 3h72 s LEU 351 CO -0.05 0.09 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.80 3h72 s LEU 352 N 0.66 1.35 -0.32 -0.68 2.96 -0.17 -4.74 118.68 117.73 3h72 s LEU 352 Ca -0.12 -0.15 -0.13 0.00 -0.22 0.00 0.00 54.13 53.50 3h72 s LEU 352 Cb -0.16 -0.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.99 3h72 s LEU 352 CO 0.03 -0.05 0.28 -0.75 -1.32 0.00 0.00 176.35 174.55 3h72 s LYS 353 N 0.93 3.64 0.75 1.98 2.47 -1.26 0.05 119.74 128.30 3h72 s LYS 353 Ca -0.11 -0.45 -0.06 0.00 -1.56 0.00 0.00 55.97 53.79 3h72 s LYS 353 Cb -0.14 -3.77 0.11 0.00 -1.46 0.00 0.00 37.83 32.57 3h72 s LYS 353 CO 0.00 -0.41 1.05 0.95 0.16 0.00 0.00 175.35 177.10 3h72 s THR 354 N 1.86 2.21 0.41 3.43 -4.23 0.56 -4.94 115.64 114.94 3h72 s THR 354 Ca 0.09 -0.36 0.09 0.00 -1.18 0.00 0.00 61.69 60.33 3h72 s THR 354 Cb -0.17 -2.85 0.28 0.00 1.34 0.00 0.00 72.50 71.11 3h72 s THR 354 CO 0.11 0.00 2.03 -2.24 -0.54 0.00 0.00 174.62 173.98 3h72 h ASP 355 N -0.73 0.45 0.16 3.99 2.03 -1.95 -0.74 116.42 119.64 3h72 h ASP 355 Ca -0.41 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.88 3h72 h ASP 355 Cb 1.28 -0.10 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3h72 h ASP 355 CO 0.48 0.31 0.00 0.29 -1.03 0.00 0.00 179.24 179.29 3h72 n LYS 356 N -4.47 0.72 -0.48 4.15 5.02 -1.26 -4.86 118.16 116.98 3h72 n LYS 356 Ca 0.05 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 3h72 n LYS 356 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3h72 n LYS 356 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h72 n GLY 357 N 0.84 0.75 3.78 0.72 0.00 -0.28 -5.04 105.19 105.95 3h72 n GLY 357 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3h72 n GLY 357 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h72 s THR 358 N -2.96 3.44 -0.20 2.61 2.01 -1.26 -4.64 115.64 114.64 3h72 s THR 358 Ca 0.00 1.14 -0.06 0.00 0.31 0.00 0.00 61.69 63.08 3h72 s THR 358 Cb 0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 3h72 s THR 358 CO 0.00 0.04 0.03 -0.76 -0.69 0.00 0.00 174.62 173.24 3h72 s LEU 359 N -2.64 3.44 -0.20 4.42 1.43 -0.64 -0.32 118.68 124.18 3h72 s LEU 359 Ca 0.58 -0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.53 3h72 s LEU 359 Cb -0.26 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3h72 s LEU 359 CO 0.32 0.09 -0.04 -0.63 0.23 0.00 0.00 176.35 176.31 3h72 s ILE 360 N 0.88 3.52 -0.29 -0.59 1.01 0.11 -1.40 121.20 124.43 3h72 s ILE 360 Ca 0.02 -0.46 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 3h72 s ILE 360 Cb -0.14 -2.58 0.01 0.00 0.01 0.00 0.00 42.46 39.76 3h72 s ILE 360 CO 0.02 0.44 0.08 0.00 0.00 0.00 0.00 174.94 175.49 3h72 s ALA 361 N 1.11 3.06 0.20 9.38 0.00 -0.32 -1.00 121.76 134.19 3h72 s ALA 361 Ca 0.01 -1.45 0.06 0.00 0.00 0.00 0.00 51.96 50.58 3h72 s ALA 361 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 3h72 s ALA 361 CO -0.00 -0.92 0.17 0.20 0.00 0.00 0.00 175.76 175.21 3h72 s GLY 362 N 1.50 1.57 0.07 0.00 0.00 0.15 -1.19 107.32 109.41 3h72 s GLY 362 Ca 0.03 -1.30 -0.27 0.00 0.00 0.00 0.00 44.72 43.17 3h72 s GLY 362 CO 0.02 -1.32 0.97 0.00 0.00 0.00 0.00 173.10 172.77 3h72 s ALA 363 N -1.92 -1.78 -0.19 3.20 0.00 -0.34 -1.56 121.76 119.16 3h72 s ALA 363 Ca 0.32 0.55 -0.21 0.00 0.00 0.00 0.00 51.96 52.62 3h72 s ALA 363 Cb -0.09 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 3h72 s ALA 363 CO 0.24 -0.90 0.66 -0.51 0.00 0.00 0.00 175.76 175.25 3h72 s ASP 364 N -2.75 6.72 -0.74 0.00 1.11 0.93 -2.06 116.67 119.89 3h72 s ASP 364 Ca 0.10 0.88 -0.15 0.00 0.18 0.00 0.00 52.55 53.56 3h72 s ASP 364 Cb -0.01 -2.36 0.19 0.00 1.07 0.00 0.00 42.92 41.81 3h72 s ASP 364 CO -0.03 -0.29 0.69 -0.70 1.18 0.00 0.00 175.17 176.03 3h72 s GLU 365 N 1.94 3.42 -0.77 8.23 2.12 0.26 -1.95 118.70 131.95 3h72 s GLU 365 Ca 0.30 -2.22 -0.19 0.00 0.36 0.00 0.00 54.97 53.22 3h72 s GLU 365 Cb -0.16 -4.40 0.13 0.00 0.26 0.00 0.00 34.13 29.96 3h72 s GLU 365 CO 0.11 -1.31 0.92 1.03 -0.54 0.00 0.00 175.26 175.46 3h72 s ARG 366 N 0.65 3.35 0.09 4.30 0.52 -0.02 -1.74 118.95 126.10 3h72 s ARG 366 Ca 0.14 -1.57 -0.19 0.00 -0.52 0.00 0.00 55.73 53.58 3h72 s ARG 366 Cb -0.16 -4.53 -0.08 0.00 0.52 0.00 0.00 34.95 30.70 3h72 s ARG 366 CO -0.05 -1.64 1.59 -0.09 0.02 0.00 0.00 175.30 175.13 3h72 h ARG 367 N 8.91 0.36 0.00 3.54 2.43 -1.64 -1.44 114.38 126.54 3h72 h ARG 367 Ca -0.06 -0.08 -0.17 0.00 -0.81 0.00 0.00 59.98 58.85 3h72 h ARG 367 Cb 1.05 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.53 3h72 h ARG 367 CO 1.07 0.46 -0.99 -0.07 -1.51 0.00 0.00 179.97 178.93 3h72 h LEU 368 N 0.19 0.00 -7.84 3.80 3.38 -1.90 -1.86 115.31 111.08 3h72 h LEU 368 Ca 0.07 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.36 3h72 h LEU 368 Cb 0.26 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 3h72 h LEU 368 CO -0.00 0.70 0.85 -1.38 0.09 0.00 0.00 178.44 178.70 3h72 s HIS 369 N -2.85 0.02 -2.13 1.13 -3.43 -1.26 -4.90 115.29 101.87 3h72 s HIS 369 Ca 0.01 -0.18 0.28 0.00 -0.80 0.00 0.00 55.06 54.37 3h72 s HIS 369 Cb 0.08 0.58 1.02 0.00 -1.43 0.00 0.00 32.58 32.84 3h72 s HIS 369 CO 0.79 -0.36 1.73 0.43 -2.00 0.00 0.00 174.74 175.32 3h72 n SER 370 N -0.99 1.14 -4.74 7.38 7.64 -1.26 -4.59 113.62 118.19 3h72 n SER 370 Ca 0.01 -1.17 -0.30 0.00 1.01 0.00 0.00 58.87 58.42 3h72 n SER 370 Cb 0.59 0.04 0.12 0.00 -1.01 0.00 0.00 64.21 63.95 3h72 n SER 370 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h72 s SER 371 N -2.22 3.88 0.00 6.43 0.01 -1.26 -4.90 113.70 115.64 3h72 s SER 371 Ca 0.33 1.59 -0.04 0.00 1.31 0.00 0.00 55.95 59.15 3h72 s SER 371 Cb 0.20 -2.28 -0.17 0.00 0.21 0.00 0.00 66.02 63.98 3h72 s SER 371 CO 0.41 -2.40 2.85 0.47 0.41 0.00 0.00 173.24 174.98 3h72 n ASP 372 N -3.74 4.76 -1.90 2.44 8.00 -1.26 -4.76 116.55 120.09 3h72 n ASP 372 Ca 0.08 -2.35 -0.00 0.00 0.71 0.00 0.00 54.79 53.23 3h72 n ASP 372 Cb 0.54 -1.20 0.01 0.00 -0.02 0.00 0.00 41.12 40.45 3h72 n ASP 372 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3h72 n TRP 373 N 2.24 -0.60 -1.34 1.24 2.14 -1.26 -4.44 117.44 115.41 3h72 n TRP 373 Ca 0.27 -0.38 0.00 0.00 2.07 0.00 0.00 57.50 59.46 3h72 n TRP 373 Cb 0.71 0.18 0.00 0.00 -0.81 0.00 0.00 31.31 31.39 3h72 n TRP 373 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3h72 n GLY 374 N -0.29 -1.06 3.52 -1.67 0.00 -1.26 -4.77 105.19 99.66 3h72 n GLY 374 Ca 0.00 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 3h72 n GLY 374 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h72 s ASP 375 N -4.00 6.19 -0.09 1.61 2.15 -1.26 -4.51 116.67 116.75 3h72 s ASP 375 Ca 0.00 -0.60 0.01 0.00 0.43 0.00 0.00 52.55 52.39 3h72 s ASP 375 Cb 0.00 -2.51 0.02 0.00 -0.30 0.00 0.00 42.92 40.13 3h72 s ASP 375 CO 0.00 -1.66 -0.10 -0.63 -0.17 0.00 0.00 175.17 172.61 3h72 s ILE 376 N 5.07 1.06 0.13 4.11 1.01 -1.26 -2.14 121.20 129.18 3h72 s ILE 376 Ca 0.31 -0.37 0.05 0.00 0.00 0.00 0.00 60.65 60.63 3h72 s ILE 376 Cb -0.11 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 3h72 s ILE 376 CO 0.14 0.36 0.06 -0.83 0.00 0.00 0.00 174.94 174.66 3h72 s GLY 377 N 1.18 1.84 -0.36 6.18 0.00 -0.71 -4.04 107.32 111.41 3h72 s GLY 377 Ca -0.05 -1.18 -0.17 0.00 0.00 0.00 0.00 44.72 43.32 3h72 s GLY 377 CO -0.02 -1.17 0.48 1.06 0.00 0.00 0.00 173.10 173.44 3h72 s MET 378 N -2.69 3.55 0.20 2.90 1.00 0.30 -0.57 119.30 123.98 3h72 s MET 378 Ca 0.28 -0.28 0.06 0.00 0.00 0.00 0.00 55.69 55.76 3h72 s MET 378 Cb -0.11 -3.83 -0.05 0.00 0.00 0.00 0.00 34.83 30.85 3h72 s MET 378 CO 0.21 -0.65 -0.10 0.14 0.00 0.00 0.00 175.02 174.62 3h72 s VAL 379 N 2.30 1.46 0.11 -6.03 -7.23 -0.87 0.06 120.40 110.20 3h72 s VAL 379 Ca 0.17 -2.13 -0.07 0.00 -1.81 0.00 0.00 61.98 58.14 3h72 s VAL 379 Cb -0.16 -2.08 -0.01 0.00 0.56 0.00 0.00 36.38 34.69 3h72 s VAL 379 CO 0.13 -0.57 0.17 0.27 -0.31 0.00 0.00 175.10 174.80 3h72 s ILE 380 N -3.14 0.12 0.02 -0.62 -5.25 0.17 -1.20 121.20 111.30 3h72 s ILE 380 Ca 0.22 -1.43 0.02 0.00 -0.99 0.00 0.00 60.65 58.47 3h72 s ILE 380 Cb 0.02 -1.62 -0.01 0.00 2.95 0.00 0.00 42.46 43.79 3h72 s ILE 380 CO 0.06 -0.56 -0.06 -0.13 -1.79 0.00 0.00 174.94 172.45 3h72 s ARG 381 N -3.93 0.46 -0.02 0.37 0.52 -0.34 -0.02 118.95 116.01 3h72 s ARG 381 Ca 0.12 -0.48 0.04 0.00 -0.52 0.00 0.00 55.73 54.89 3h72 s ARG 381 Cb 0.05 -0.33 -0.03 0.00 0.52 0.00 0.00 34.95 35.17 3h72 s ARG 381 CO -0.06 0.07 -0.14 1.03 0.02 0.00 0.00 175.30 176.23 3h72 s ARG 382 N -0.90 2.40 -0.11 3.54 0.52 -1.26 -1.18 118.95 121.97 3h72 s ARG 382 Ca -0.05 -0.77 0.02 0.00 -0.52 0.00 0.00 55.73 54.41 3h72 s ARG 382 Cb -0.06 -2.35 0.01 0.00 0.52 0.00 0.00 34.95 33.07 3h72 s ARG 382 CO 0.00 0.60 -0.18 0.45 0.02 0.00 0.00 175.30 176.19 3h72 s SER 383 N -1.04 2.60 0.00 0.23 0.15 -0.49 -0.33 113.70 114.81 3h72 s SER 383 Ca 0.13 -0.47 0.18 0.00 0.70 0.00 0.00 55.95 56.50 3h72 s SER 383 Cb -0.11 -1.18 0.29 0.00 -1.71 0.00 0.00 66.02 63.31 3h72 s SER 383 CO 0.03 0.06 1.22 -0.62 1.20 0.00 0.00 173.24 175.13 3h72 n GLU 384 N 3.98 2.04 -2.17 5.44 1.02 -1.26 -1.62 120.64 128.07 3h72 n GLU 384 Ca -0.20 -1.92 -0.21 0.00 -0.02 0.00 0.00 57.16 54.82 3h72 n GLU 384 Cb 0.52 -1.39 0.02 0.00 -0.02 0.00 0.00 31.44 30.57 3h72 n GLU 384 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h72 n ASP 385 N 1.10 4.43 -3.20 1.62 5.68 -1.26 -4.93 116.55 119.98 3h72 n ASP 385 Ca 0.14 -3.50 -0.23 0.00 -0.50 0.00 0.00 54.79 50.70 3h72 n ASP 385 Cb 0.49 -0.37 0.04 0.00 -1.14 0.00 0.00 41.12 40.14 3h72 n ASP 385 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3h72 n ASN 386 N -0.67 -5.93 0.00 -1.12 5.15 -1.26 -2.95 115.26 108.47 3h72 n ASN 386 Ca 0.38 -0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 3h72 n ASN 386 Cb 0.93 -4.77 0.00 0.00 -0.53 0.00 0.00 39.78 35.41 3h72 n ASN 386 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h72 n GLY 387 N -1.60 0.59 0.08 8.20 0.00 -1.26 -4.97 105.19 106.22 3h72 n GLY 387 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 3h72 n GLY 387 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h72 h LYS 388 N 4.29 -0.06 -5.40 1.61 1.57 -1.94 -3.46 116.57 113.17 3h72 h LYS 388 Ca 0.00 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 58.37 3h72 h LYS 388 Cb 0.00 0.01 -0.18 0.00 0.08 0.00 0.00 32.23 32.15 3h72 h LYS 388 CO 0.00 0.37 -0.75 0.95 -0.57 0.00 0.00 179.45 179.44 3h72 s THR 389 N -4.36 1.34 0.02 -0.16 -4.23 -1.26 -5.10 115.64 101.89 3h72 s THR 389 Ca -0.15 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.63 3h72 s THR 389 Cb 0.02 -1.59 -0.02 0.00 1.34 0.00 0.00 72.50 72.26 3h72 s THR 389 CO 0.64 -0.45 -0.13 0.26 -0.54 0.00 0.00 174.62 174.40 3h72 s TRP 390 N -2.28 1.15 0.39 3.99 0.52 -1.26 -4.21 118.94 117.25 3h72 s TRP 390 Ca 0.10 -0.31 -0.07 0.00 0.02 0.00 0.00 56.10 55.85 3h72 s TRP 390 Cb -0.04 -0.70 0.09 0.00 -1.15 0.00 0.00 33.47 31.67 3h72 s TRP 390 CO 0.03 0.01 0.49 0.41 0.02 0.00 0.00 176.95 177.92 3h72 n GLY 391 N 2.16 -1.51 3.80 0.98 0.00 0.55 -4.96 105.19 106.20 3h72 n GLY 391 Ca -0.17 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 43.90 3h72 n GLY 391 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h72 s ASP 392 N -2.82 4.72 0.36 1.61 1.01 -1.26 -4.58 116.67 115.72 3h72 s ASP 392 Ca 0.28 1.50 -0.28 0.00 0.71 0.00 0.00 52.55 54.77 3h72 s ASP 392 Cb -0.01 -2.28 -0.10 0.00 1.01 0.00 0.00 42.92 41.54 3h72 s ASP 392 CO 0.20 -1.85 1.35 -0.13 0.21 0.00 0.00 175.17 174.95 3h72 s ARG 393 N -5.06 4.22 -0.18 8.23 0.52 -1.26 -4.57 118.95 120.84 3h72 s ARG 393 Ca 0.60 2.28 0.00 0.00 -0.52 0.00 0.00 55.73 58.10 3h72 s ARG 393 Cb -0.15 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.36 3h72 s ARG 393 CO 0.55 -0.33 -0.18 0.08 0.02 0.00 0.00 175.30 175.44 3h72 s VAL 394 N -1.16 2.27 -0.12 3.52 1.01 0.97 -4.96 120.40 121.92 3h72 s VAL 394 Ca 0.51 -0.87 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 3h72 s VAL 394 Cb -0.41 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3h72 s VAL 394 CO 0.54 0.52 0.55 -0.89 0.00 0.00 0.00 175.10 175.83 3h72 s THR 395 N 1.25 5.13 -0.18 3.92 2.01 -1.26 -0.65 115.64 125.85 3h72 s THR 395 Ca 0.03 1.10 -0.25 0.00 0.31 0.00 0.00 61.69 62.89 3h72 s THR 395 Cb -0.14 -3.89 -0.22 0.00 0.01 0.00 0.00 72.50 68.26 3h72 s THR 395 CO -0.10 0.27 0.47 0.40 -0.69 0.00 0.00 174.62 174.96 3h72 h ILE 396 N 4.83 1.31 -2.67 1.82 2.04 -0.74 -3.43 117.51 120.67 3h72 h ILE 396 Ca -0.39 -2.26 -0.11 0.00 1.00 0.00 0.00 64.86 63.10 3h72 h ILE 396 Cb 1.18 2.75 -0.24 0.00 -0.74 0.00 0.00 36.82 39.77 3h72 h ILE 396 CO 0.76 0.45 -0.21 -0.89 0.00 0.00 0.00 178.15 178.25 3h72 s THR 397 N -2.30 -0.00 -0.31 -0.27 2.01 -1.15 -4.73 115.64 108.89 3h72 s THR 397 Ca -0.24 0.01 0.05 0.00 0.31 0.00 0.00 61.69 61.82 3h72 s THR 397 Cb 0.02 -0.62 0.19 0.00 0.01 0.00 0.00 72.50 72.10 3h72 s THR 397 CO 0.64 0.00 0.55 0.21 -0.69 0.00 0.00 174.62 175.33 3h72 s ASN 398 N 0.37 -1.08 0.52 3.53 3.84 -0.59 -0.54 114.94 121.00 3h72 s ASN 398 Ca -0.01 -0.12 -0.21 0.00 0.21 0.00 0.00 52.86 52.73 3h72 s ASN 398 Cb -0.04 1.77 -0.06 0.00 -0.55 0.00 0.00 41.25 42.38 3h72 s ASN 398 CO -0.01 -0.29 1.20 -0.76 -2.79 0.00 0.00 177.10 174.44 3h72 s LEU 399 N 2.60 3.84 0.50 3.21 1.43 -1.26 -3.88 118.68 125.12 3h72 s LEU 399 Ca 0.11 2.37 -0.18 0.00 -1.03 0.00 0.00 54.13 55.40 3h72 s LEU 399 Cb -0.10 -4.41 -0.08 0.00 0.03 0.00 0.00 46.19 41.63 3h72 s LEU 399 CO -0.24 -1.25 1.00 0.00 0.23 0.00 0.00 176.35 176.09 3h72 s ARG 400 N -3.01 3.86 0.73 1.70 1.70 -1.23 -4.86 118.95 117.83 3h72 s ARG 400 Ca 0.70 1.14 -0.11 0.00 -0.47 0.00 0.00 55.73 56.99 3h72 s ARG 400 Cb -0.30 -2.12 0.03 0.00 -0.57 0.00 0.00 34.95 31.99 3h72 s ARG 400 CO 0.35 -0.36 1.07 0.16 -1.08 0.00 0.00 175.30 175.44 3h72 s ASP 401 N -2.54 5.07 -0.56 -2.89 -4.77 -1.26 -4.33 116.67 105.38 3h72 s ASP 401 Ca 0.63 1.55 -0.25 0.00 -3.30 0.00 0.00 52.55 51.18 3h72 s ASP 401 Cb -0.12 -2.38 0.04 0.00 -1.09 0.00 0.00 42.92 39.37 3h72 s ASP 401 CO 0.25 -1.64 0.98 0.21 0.70 0.00 0.00 175.17 175.68 3h72 s ASN 402 N -3.79 6.35 0.17 2.11 3.84 -0.44 -4.88 114.94 118.29 3h72 s ASN 402 Ca 0.59 -0.30 0.13 0.00 0.21 0.00 0.00 52.86 53.49 3h72 s ASN 402 Cb -0.14 -2.45 0.66 0.00 -0.55 0.00 0.00 41.25 38.76 3h72 s ASN 402 CO 0.55 -1.27 1.39 -0.81 -2.79 0.00 0.00 177.10 174.17 3h72 n PRO 403 N 7.62 0.08 0.00 0.43 -0.04 -1.26 -2.22 135.00 139.60 3h72 n PRO 403 Ca 0.03 0.54 0.08 0.00 -0.04 0.00 0.00 63.50 64.10 3h72 n PRO 403 Cb 0.48 -1.74 0.01 0.00 -0.04 0.00 0.00 33.50 32.21 3h72 n PRO 403 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3h72 n LYS 404 N -1.90 1.62 -1.67 0.54 4.76 -1.26 -5.01 118.16 115.23 3h72 n LYS 404 Ca -0.00 -0.93 -0.43 0.00 -2.87 0.00 0.00 58.31 54.07 3h72 n LYS 404 Cb 0.05 -1.29 -0.01 0.00 -1.84 0.00 0.00 35.03 31.94 3h72 n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h72 n ALA 405 N 0.06 0.99 0.09 7.82 0.00 -0.94 -4.83 120.51 123.70 3h72 n ALA 405 Ca 0.07 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.86 3h72 n ALA 405 Cb 0.36 -2.22 0.19 0.00 0.00 0.00 0.00 19.45 17.78 3h72 n ALA 405 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3h72 h SER 406 N 2.81 0.24 -3.59 0.00 0.02 -1.94 -3.39 113.55 107.70 3h72 h SER 406 Ca -0.45 -0.11 -0.64 0.00 -0.84 0.00 0.00 61.79 59.75 3h72 h SER 406 Cb 1.29 -0.07 -0.40 0.00 0.14 0.00 0.00 62.40 63.36 3h72 h SER 406 CO 0.65 0.68 -0.73 -0.62 -1.14 0.00 0.00 176.83 175.67 3h72 s ASP 407 N -6.88 4.59 0.55 3.07 -1.08 -1.26 -5.00 116.67 110.66 3h72 s ASP 407 Ca -0.04 -2.00 0.25 0.00 -0.52 0.00 0.00 52.55 50.24 3h72 s ASP 407 Cb 0.13 -1.47 1.47 0.00 -1.46 0.00 0.00 42.92 41.59 3h72 s ASP 407 CO 0.78 -0.37 2.05 -0.65 0.52 0.00 0.00 175.17 177.49 3h72 h PRO 408 N 7.72 0.00 0.00 4.34 0.11 -1.94 -1.51 132.00 140.72 3h72 h PRO 408 Ca -0.07 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.04 3h72 h PRO 408 Cb 1.02 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3h72 h PRO 408 CO 0.50 0.00 -0.01 0.66 -0.21 0.00 0.00 178.00 178.95 3h72 h SER 409 N 0.00 0.00 0.00 -2.05 4.64 -1.97 -2.43 113.55 111.74 3h72 h SER 409 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3h72 h SER 409 Cb 0.68 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.72 3h72 h SER 409 CO -0.00 0.01 -0.41 2.30 -0.87 0.00 0.00 176.83 177.86 3h72 n ILE 410 N -3.13 0.82 -1.17 0.95 -5.35 -0.70 -3.98 119.36 106.79 3h72 n ILE 410 Ca -0.01 -1.17 -0.16 0.00 -0.27 0.00 0.00 62.75 61.14 3h72 n ILE 410 Cb 0.18 0.26 0.23 0.00 -1.74 0.00 0.00 39.64 38.56 3h72 n ILE 410 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h72 n GLY 411 N -0.51 4.19 3.08 3.28 0.00 -0.65 -3.43 105.19 111.16 3h72 n GLY 411 Ca 0.08 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 3h72 n GLY 411 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h72 s SER 412 N -1.25 1.24 0.65 1.61 0.01 -1.26 -1.33 113.70 113.37 3h72 s SER 412 Ca 0.56 -0.40 -0.17 0.00 1.31 0.00 0.00 55.95 57.24 3h72 s SER 412 Cb 0.46 -0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.62 3h72 s SER 412 CO 0.12 -0.02 1.24 -2.84 0.41 0.00 0.00 173.24 172.14 3h72 s PRO 413 N -1.03 2.59 -0.01 12.44 0.02 -1.26 -3.67 135.00 144.08 3h72 s PRO 413 Ca -0.01 1.89 0.08 0.00 0.02 0.00 0.00 61.00 62.98 3h72 s PRO 413 Cb -0.07 -1.87 -0.02 0.00 0.02 0.00 0.00 34.50 32.55 3h72 s PRO 413 CO 0.01 -1.52 -0.25 0.08 -0.33 0.00 0.00 177.00 174.98 3h72 s VAL 414 N -1.63 2.16 -0.04 3.83 1.01 0.13 -4.69 120.40 121.16 3h72 s VAL 414 Ca 0.78 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 61.69 3h72 s VAL 414 Cb -0.33 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 3h72 s VAL 414 CO 0.39 0.54 -0.22 0.20 0.00 0.00 0.00 175.10 176.00 3h72 s ASN 415 N -0.76 2.69 -0.24 3.32 0.01 -1.26 -0.54 114.94 118.16 3h72 s ASN 415 Ca 0.11 -0.44 -0.26 0.00 -0.71 0.00 0.00 52.86 51.56 3h72 s ASN 415 Cb -0.10 -0.63 0.07 0.00 0.41 0.00 0.00 41.25 41.00 3h72 s ASN 415 CO -0.00 0.22 0.73 -0.51 -1.51 0.00 0.00 177.10 176.04 3h72 s ILE 416 N -0.19 0.00 0.05 0.60 2.07 -1.02 -4.63 121.20 118.07 3h72 s ILE 416 Ca -0.01 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.23 3h72 s ILE 416 Cb -0.12 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.47 3h72 s ILE 416 CO 0.02 0.00 0.00 0.47 -1.91 0.00 0.00 174.94 173.52 3h72 n ASP 417 N 2.43 -6.31 -4.38 4.50 8.00 -1.26 -1.71 116.55 117.82 3h72 n ASP 417 Ca -0.15 1.00 -0.28 0.00 0.71 0.00 0.00 54.79 56.08 3h72 n ASP 417 Cb 0.55 -3.43 -0.13 0.00 -0.02 0.00 0.00 41.12 38.10 3h72 n ASP 417 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 3h72 s MET 418 N -1.33 1.38 -0.08 -1.24 -2.45 -1.26 -2.95 119.30 111.37 3h72 s MET 418 Ca 0.00 -1.36 0.03 0.00 -1.25 0.00 0.00 55.69 53.11 3h72 s MET 418 Cb 0.00 -1.82 0.01 0.00 1.25 0.00 0.00 34.83 34.27 3h72 s MET 418 CO 0.00 0.42 -0.17 0.08 1.05 0.00 0.00 175.02 176.41 3h72 s VAL 419 N -1.19 1.49 0.10 10.11 1.01 0.15 -1.88 120.40 130.20 3h72 s VAL 419 Ca 0.14 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.50 3h72 s VAL 419 Cb -0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 3h72 s VAL 419 CO 0.06 0.44 -0.03 -0.76 0.00 0.00 0.00 175.10 174.81 3h72 s LEU 420 N 0.61 3.31 -0.20 3.92 1.43 -0.67 -1.29 118.68 125.78 3h72 s LEU 420 Ca -0.15 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 3h72 s LEU 420 Cb -0.16 -2.05 0.13 0.00 0.03 0.00 0.00 46.19 44.14 3h72 s LEU 420 CO 0.05 0.17 1.05 0.54 0.23 0.00 0.00 176.35 178.38 3h72 s VAL 421 N -1.33 0.00 -0.03 -1.59 0.11 -0.86 -0.31 120.40 116.40 3h72 s VAL 421 Ca 0.25 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.37 3h72 s VAL 421 Cb -0.11 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 3h72 s VAL 421 CO 0.17 0.00 -0.25 -1.58 -3.33 0.00 0.00 175.10 170.11 3h72 s GLN 422 N -0.76 2.11 -0.22 1.54 0.74 -1.26 0.07 119.66 121.88 3h72 s GLN 422 Ca 0.00 -0.89 -0.28 0.00 0.05 0.00 0.00 55.36 54.24 3h72 s GLN 422 Cb -0.02 -1.98 0.01 0.00 1.10 0.00 0.00 33.01 32.12 3h72 s GLN 422 CO -0.01 0.50 1.01 0.34 -0.55 0.00 0.00 175.29 176.58 3h72 s ASP 423 N -0.50 7.08 0.53 6.67 -1.08 -0.13 -4.84 116.67 124.40 3h72 s ASP 423 Ca 0.07 1.35 0.35 0.00 -0.52 0.00 0.00 52.55 53.80 3h72 s ASP 423 Cb -0.10 -2.53 1.65 0.00 -1.46 0.00 0.00 42.92 40.48 3h72 s ASP 423 CO -0.00 -0.63 2.05 1.55 0.52 0.00 0.00 175.17 178.66 3h72 h PRO 424 N 7.45 0.00 0.00 4.34 0.13 -1.95 0.24 132.00 142.22 3h72 h PRO 424 Ca -0.21 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.71 3h72 h PRO 424 Cb 1.07 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.17 3h72 h PRO 424 CO 0.95 0.00 -1.29 -1.91 -0.23 0.00 0.00 178.00 175.52 3h72 n GLU 425 N -2.91 0.55 0.13 0.86 2.13 -1.26 -4.45 120.64 115.69 3h72 n GLU 425 Ca -0.01 0.52 0.12 0.00 0.66 0.00 0.00 57.16 58.46 3h72 n GLU 425 Cb 0.20 -1.70 0.14 0.00 0.27 0.00 0.00 31.44 30.35 3h72 n GLU 425 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 3h72 h THR 426 N -1.00 0.00 0.00 6.31 1.35 -1.99 -3.47 112.91 114.11 3h72 h THR 426 Ca -0.33 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3h72 h THR 426 Cb 1.20 1.57 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 3h72 h THR 426 CO -0.20 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.36 3h72 n LYS 427 N -2.65 -0.36 -2.21 4.72 4.76 0.86 -4.98 118.16 118.30 3h72 n LYS 427 Ca 0.03 0.09 -0.41 0.00 -2.87 0.00 0.00 58.31 55.14 3h72 n LYS 427 Cb 0.51 -3.47 -0.03 0.00 -1.84 0.00 0.00 35.03 30.20 3h72 n LYS 427 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3h72 s ARG 428 N -0.54 4.39 -0.19 1.97 3.52 -1.25 -4.70 118.95 122.16 3h72 s ARG 428 Ca 0.00 2.08 -0.08 0.00 -0.13 0.00 0.00 55.73 57.60 3h72 s ARG 428 Cb 0.00 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3h72 s ARG 428 CO 0.00 -0.23 0.08 0.42 -0.81 0.00 0.00 175.30 174.76 3h72 s ILE 429 N -0.12 4.88 -0.01 4.11 1.01 0.02 -0.96 121.20 130.12 3h72 s ILE 429 Ca 0.55 0.00 0.03 0.00 0.00 0.00 0.00 60.65 61.23 3h72 s ILE 429 Cb -0.37 -3.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.86 3h72 s ILE 429 CO 0.41 0.45 -0.09 -0.36 0.00 0.00 0.00 174.94 175.35 3h72 s PHE 430 N 0.46 2.85 -0.19 3.97 0.08 0.11 -0.63 117.98 124.63 3h72 s PHE 430 Ca 0.04 -0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.03 3h72 s PHE 430 Cb -0.12 -1.62 0.05 0.00 -0.57 0.00 0.00 43.02 40.76 3h72 s PHE 430 CO 0.00 0.33 -0.06 0.45 -0.10 0.00 0.00 175.22 175.85 3h72 s SER 431 N -1.22 3.22 -0.12 1.36 0.15 -0.10 -2.04 113.70 114.94 3h72 s SER 431 Ca 0.15 -0.85 -0.00 0.00 0.70 0.00 0.00 55.95 55.95 3h72 s SER 431 Cb -0.11 -1.03 -0.02 0.00 -1.71 0.00 0.00 66.02 63.15 3h72 s SER 431 CO 0.05 -0.20 -0.11 -0.63 1.20 0.00 0.00 173.24 173.55 3h72 s ILE 432 N 1.53 3.22 0.18 6.45 1.01 -0.42 -1.36 121.20 131.81 3h72 s ILE 432 Ca -0.01 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.93 3h72 s ILE 432 Cb -0.16 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 3h72 s ILE 432 CO -0.07 0.53 0.32 -0.72 0.00 0.00 0.00 174.94 175.00 3h72 s TYR 433 N 0.21 0.37 0.62 3.97 -0.85 -0.58 -0.68 117.35 120.41 3h72 s TYR 433 Ca -0.07 -0.73 -0.12 0.00 -0.52 0.00 0.00 57.07 55.63 3h72 s TYR 433 Cb -0.15 -0.00 -0.03 0.00 0.38 0.00 0.00 41.96 42.15 3h72 s TYR 433 CO 0.05 -0.77 1.03 -0.51 -1.52 0.00 0.00 175.55 173.83 3h72 s ASP 434 N -2.97 6.01 -0.10 -0.18 1.01 -0.69 -0.60 116.67 119.14 3h72 s ASP 434 Ca 0.18 1.53 -0.07 0.00 0.71 0.00 0.00 52.55 54.90 3h72 s ASP 434 Cb 0.03 -2.49 0.03 0.00 1.01 0.00 0.00 42.92 41.50 3h72 s ASP 434 CO 0.01 -1.02 0.24 -0.32 0.21 0.00 0.00 175.17 174.30 3h72 s MET 435 N -4.89 0.25 0.00 8.23 1.75 -0.41 -2.42 119.30 121.81 3h72 s MET 435 Ca 0.57 0.41 0.01 0.00 -1.25 0.00 0.00 55.69 55.43 3h72 s MET 435 Cb -0.12 0.03 -0.01 0.00 2.84 0.00 0.00 34.83 37.57 3h72 s MET 435 CO 0.50 -0.09 -0.04 -0.06 -0.65 0.00 0.00 175.02 174.68 3h72 s PHE 436 N 0.60 0.32 1.02 4.11 0.08 0.30 -0.65 117.98 123.76 3h72 s PHE 436 Ca -0.04 -0.14 -0.14 0.00 0.12 0.00 0.00 56.93 56.73 3h72 s PHE 436 Cb -0.05 -0.21 0.20 0.00 -0.57 0.00 0.00 43.02 42.39 3h72 s PHE 436 CO -0.03 -0.03 1.12 -1.25 -0.10 0.00 0.00 175.22 174.93 3h72 s PRO 437 N -0.35 0.27 -0.09 0.24 0.04 -1.26 0.17 135.00 134.02 3h72 s PRO 437 Ca -0.01 0.29 -0.38 0.00 0.04 0.00 0.00 61.00 60.93 3h72 s PRO 437 Cb -0.03 -1.74 -0.19 0.00 0.04 0.00 0.00 34.50 32.59 3h72 s PRO 437 CO -0.00 -2.79 1.09 -1.91 0.04 0.00 0.00 177.00 173.43 3h72 n GLU 438 N -4.17 0.00 -3.29 4.56 2.13 0.31 -4.35 120.64 115.83 3h72 n GLU 438 Ca 0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.89 3h72 n GLU 438 Cb 0.58 -1.39 0.00 0.00 0.27 0.00 0.00 31.44 30.90 3h72 n GLU 438 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h72 n GLY 439 N 1.85 -0.35 1.91 8.31 0.00 -1.22 -4.60 105.19 111.08 3h72 n GLY 439 Ca 0.21 -1.16 -0.06 0.00 0.00 0.00 0.00 46.02 45.00 3h72 n GLY 439 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3h72 n LYS 440 N 0.00 3.49 0.00 1.61 4.81 -1.26 -4.32 118.16 122.49 3h72 n LYS 440 Ca 0.00 -2.78 0.00 0.00 -0.87 0.00 0.00 58.31 54.66 3h72 n LYS 440 Cb 0.00 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 32.91 3h72 n LYS 440 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h72 n GLY 441 N -0.10 3.04 0.31 3.14 0.00 -1.26 -1.96 105.19 108.37 3h72 n GLY 441 Ca 0.37 -0.32 0.20 0.00 0.00 0.00 0.00 46.02 46.27 3h72 n GLY 441 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h72 h ILE 442 N 0.00 0.14 -0.27 -0.61 2.10 -1.97 -1.29 117.51 115.61 3h72 h ILE 442 Ca 0.00 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.79 3h72 h ILE 442 Cb 0.00 1.13 0.00 0.00 -1.09 0.00 0.00 36.82 36.86 3h72 h ILE 442 CO 0.00 0.01 0.00 0.49 -1.08 0.00 0.00 178.15 177.57 3h72 n PHE 443 N -3.26 0.36 -1.72 2.19 3.01 -0.83 -4.03 117.46 113.18 3h72 n PHE 443 Ca -0.02 -0.18 0.04 0.00 1.01 0.00 0.00 57.45 58.30 3h72 n PHE 443 Cb 0.13 0.00 0.07 0.00 -0.01 0.00 0.00 39.48 39.67 3h72 n PHE 443 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3h72 n GLY 444 N 1.19 2.46 3.76 1.37 0.00 -0.49 -4.89 105.19 108.61 3h72 n GLY 444 Ca 0.16 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.17 3h72 n GLY 444 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h72 s MET 445 N -1.26 4.43 0.67 1.61 -1.94 -1.22 -4.73 119.30 116.86 3h72 s MET 445 Ca 0.19 1.85 -0.15 0.00 -1.71 0.00 0.00 55.69 55.87 3h72 s MET 445 Cb 0.18 -3.01 0.01 0.00 2.01 0.00 0.00 34.83 34.02 3h72 s MET 445 CO -0.02 0.01 1.11 0.45 -0.01 0.00 0.00 175.02 176.56 3h72 s SER 446 N -0.93 5.02 0.45 3.03 0.15 -1.26 -4.94 113.70 115.22 3h72 s SER 446 Ca 0.49 2.00 0.24 0.00 0.70 0.00 0.00 55.95 59.39 3h72 s SER 446 Cb -0.32 -2.55 0.53 0.00 -1.71 0.00 0.00 66.02 61.97 3h72 s SER 446 CO 0.41 -1.69 1.67 0.77 1.20 0.00 0.00 173.24 175.61 3h72 h SER 447 N -0.07 0.00 -3.45 5.45 4.64 -2.00 -3.44 113.55 114.68 3h72 h SER 447 Ca -0.47 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.18 3h72 h SER 447 Cb 1.25 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.19 3h72 h SER 447 CO 0.54 0.04 -0.66 -1.10 -0.87 0.00 0.00 176.83 174.78 3h72 s GLN 448 N -3.29 2.73 0.43 4.77 -1.52 -1.26 -5.09 119.66 116.43 3h72 s GLN 448 Ca 0.05 -0.63 -0.18 0.00 -1.95 0.00 0.00 55.36 52.66 3h72 s GLN 448 Cb 0.06 -2.62 -0.09 0.00 -0.22 0.00 0.00 33.01 30.13 3h72 s GLN 448 CO 0.65 0.62 0.91 0.21 -0.25 0.00 0.00 175.29 177.44 3h72 s LYS 449 N -1.44 4.08 -0.08 2.91 2.20 -1.26 -5.05 119.74 121.11 3h72 s LYS 449 Ca 0.18 0.95 -0.00 0.00 -0.36 0.00 0.00 55.97 56.74 3h72 s LYS 449 Cb -0.11 -2.23 0.02 0.00 -1.51 0.00 0.00 37.83 34.01 3h72 s LYS 449 CO 0.08 -0.06 -0.04 -1.21 -0.36 0.00 0.00 175.35 173.76 3h72 s GLU 450 N -3.44 1.03 0.24 4.03 2.02 -1.26 -5.10 118.70 116.21 3h72 s GLU 450 Ca 0.59 -0.09 -0.31 0.00 0.02 0.00 0.00 54.97 55.17 3h72 s GLU 450 Cb -0.10 -1.16 -0.12 0.00 0.10 0.00 0.00 34.13 32.85 3h72 s GLU 450 CO 0.20 -0.21 1.67 0.39 0.02 0.00 0.00 175.26 177.32 3h72 n GLU 451 N 4.73 2.72 -0.01 1.61 -0.58 -1.26 -4.79 120.64 123.05 3h72 n GLU 451 Ca -0.14 0.98 0.07 0.00 -0.42 0.00 0.00 57.16 57.65 3h72 n GLU 451 Cb 0.50 -2.79 -0.15 0.00 -0.57 0.00 0.00 31.44 28.43 3h72 n GLU 451 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h72 n ALA 452 N 3.23 2.54 -2.59 0.62 0.00 -1.26 -4.66 120.51 118.40 3h72 n ALA 452 Ca 0.13 -0.63 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 3h72 n ALA 452 Cb 0.35 -0.69 -0.11 0.00 0.00 0.00 0.00 19.45 19.00 3h72 n ALA 452 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h72 s TYR 453 N -3.32 0.98 -0.03 0.00 1.51 -1.26 -0.56 117.35 114.67 3h72 s TYR 453 Ca -0.08 -0.60 0.01 0.00 -1.01 0.00 0.00 57.07 55.40 3h72 s TYR 453 Cb 0.12 -0.55 0.01 0.00 -0.11 0.00 0.00 41.96 41.44 3h72 s TYR 453 CO 0.88 -0.02 -0.05 0.21 -1.11 0.00 0.00 175.55 175.47 3h72 s LYS 454 N -2.39 0.66 -0.15 -0.62 2.20 -0.32 -4.89 119.74 114.24 3h72 s LYS 454 Ca 0.01 -0.12 -0.18 0.00 -0.36 0.00 0.00 55.97 55.31 3h72 s LYS 454 Cb -0.05 -0.68 -0.04 0.00 -1.51 0.00 0.00 37.83 35.55 3h72 s LYS 454 CO 0.00 -0.01 0.48 0.15 -0.36 0.00 0.00 175.35 175.60 3h72 s LYS 455 N 0.57 4.29 -0.04 4.03 1.02 -1.26 -1.18 119.74 127.17 3h72 s LYS 455 Ca -0.07 0.41 -0.01 0.00 0.02 0.00 0.00 55.97 56.32 3h72 s LYS 455 Cb -0.11 -3.47 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 3h72 s LYS 455 CO -0.00 0.07 0.04 0.42 -0.92 0.00 0.00 175.35 174.96 3h72 s ILE 456 N 0.91 0.03 -1.46 2.17 1.01 0.34 -4.84 121.20 119.36 3h72 s ILE 456 Ca 0.25 0.31 -0.11 0.00 0.00 0.00 0.00 60.65 61.10 3h72 s ILE 456 Cb -0.15 -0.24 0.06 0.00 0.01 0.00 0.00 42.46 42.14 3h72 s ILE 456 CO 0.10 0.19 0.98 -0.67 0.00 0.00 0.00 174.94 175.53 3h72 n ASP 457 N 5.06 -4.50 -0.63 3.58 -0.08 -1.26 -0.47 116.55 118.25 3h72 n ASP 457 Ca -0.08 -0.74 -0.08 0.00 -1.51 0.00 0.00 54.79 52.38 3h72 n ASP 457 Cb 0.50 -4.14 -0.04 0.00 2.34 0.00 0.00 41.12 39.78 3h72 n ASP 457 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3h72 n GLY 458 N -1.72 1.00 3.23 0.27 0.00 -1.26 -5.01 105.19 101.69 3h72 n GLY 458 Ca -0.02 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 3h72 n GLY 458 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h72 s LYS 459 N -2.53 1.75 -0.23 1.61 -0.14 0.38 -5.12 119.74 115.46 3h72 s LYS 459 Ca 0.00 -0.76 -0.08 0.00 -1.36 0.00 0.00 55.97 53.77 3h72 s LYS 459 Cb 0.00 -1.68 -0.04 0.00 -1.68 0.00 0.00 37.83 34.43 3h72 s LYS 459 CO 0.00 0.45 0.10 0.99 -0.76 0.00 0.00 175.35 176.13 3h72 s THR 460 N -0.47 4.80 0.07 2.17 2.01 -1.26 0.13 115.64 123.08 3h72 s THR 460 Ca 0.07 -0.02 0.08 0.00 0.31 0.00 0.00 61.69 62.14 3h72 s THR 460 Cb -0.08 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 3h72 s THR 460 CO -0.01 0.37 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.76 3h72 s TYR 461 N 1.08 1.96 0.30 4.92 2.02 -0.32 -4.96 117.35 122.34 3h72 s TYR 461 Ca 0.05 -0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 56.08 3h72 s TYR 461 Cb -0.14 -1.13 -0.09 0.00 -0.40 0.00 0.00 41.96 40.19 3h72 s TYR 461 CO 0.04 0.15 1.07 -1.14 -1.57 0.00 0.00 175.55 174.10 3h72 s GLN 462 N -1.47 4.58 0.28 -0.62 0.74 -1.26 -1.18 119.66 120.73 3h72 s GLN 462 Ca 0.09 1.70 -0.14 0.00 0.05 0.00 0.00 55.36 57.06 3h72 s GLN 462 Cb -0.09 -3.07 -0.08 0.00 1.10 0.00 0.00 33.01 30.86 3h72 s GLN 462 CO 0.03 0.19 0.67 0.42 -0.55 0.00 0.00 175.29 176.05 3h72 s ILE 463 N -1.26 4.75 -0.03 -2.34 1.01 0.27 -1.68 121.20 121.92 3h72 s ILE 463 Ca 0.47 0.83 0.05 0.00 0.00 0.00 0.00 60.65 62.00 3h72 s ILE 463 Cb -0.29 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 3h72 s ILE 463 CO 0.37 -0.09 -0.17 -0.76 0.00 0.00 0.00 174.94 174.30 3h72 s LEU 464 N -2.78 1.96 -0.02 2.97 1.43 -0.39 -4.15 118.68 117.70 3h72 s LEU 464 Ca 0.50 -0.32 0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3h72 s LEU 464 Cb -0.11 -0.90 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 3h72 s LEU 464 CO 0.19 0.17 -0.04 -0.31 0.23 0.00 0.00 176.35 176.58 3h72 s TYR 465 N -0.14 2.97 -0.11 0.29 2.02 0.50 -1.44 117.35 121.44 3h72 s TYR 465 Ca 0.01 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 3h72 s TYR 465 Cb -0.09 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.83 3h72 s TYR 465 CO 0.01 0.40 -0.14 0.50 -1.57 0.00 0.00 175.55 174.74 3h72 s ARG 466 N -1.29 2.11 0.21 -0.62 3.52 -1.26 -2.21 118.95 119.40 3h72 s ARG 466 Ca 0.16 -0.51 -0.32 0.00 -0.13 0.00 0.00 55.73 54.93 3h72 s ARG 466 Cb -0.11 -1.84 -0.13 0.00 -1.56 0.00 0.00 34.95 31.30 3h72 s ARG 466 CO 0.07 -0.10 1.49 0.39 -0.81 0.00 0.00 175.30 176.34 3h72 n GLU 467 N 4.32 2.14 0.00 5.12 -0.58 -1.26 -1.68 120.64 128.70 3h72 n GLU 467 Ca -0.18 0.77 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 3h72 n GLU 467 Cb 0.51 -2.48 0.00 0.00 -0.57 0.00 0.00 31.44 28.90 3h72 n GLU 467 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h72 n GLY 468 N 2.68 2.75 3.30 0.62 0.00 -1.26 -5.04 105.19 108.25 3h72 n GLY 468 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3h72 n GLY 468 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h72 s GLU 469 N -0.97 2.43 0.00 1.61 2.02 -0.67 -5.02 118.70 118.09 3h72 s GLU 469 Ca 0.00 -0.89 0.03 0.00 0.02 0.00 0.00 54.97 54.14 3h72 s GLU 469 Cb 0.00 -2.16 -0.25 0.00 0.10 0.00 0.00 34.13 31.83 3h72 s GLU 469 CO 0.00 0.46 0.85 -0.22 0.02 0.00 0.00 175.26 176.37 3h72 h LYS 470 N 5.83 0.12 -7.18 1.61 3.64 -1.97 -3.41 116.57 115.22 3h72 h LYS 470 Ca -0.37 -0.21 -0.54 0.00 -1.27 0.00 0.00 60.65 58.27 3h72 h LYS 470 Cb 1.16 0.08 0.16 0.00 -0.41 0.00 0.00 32.23 33.22 3h72 h LYS 470 CO 0.48 0.91 0.39 0.20 -2.27 0.00 0.00 179.45 179.15 3h72 s GLY 471 N -4.99 2.32 -0.27 5.01 0.00 -1.26 -4.99 107.32 103.13 3h72 s GLY 471 Ca -0.07 0.88 -0.15 0.00 0.00 0.00 0.00 44.72 45.39 3h72 s GLY 471 CO 0.83 1.29 0.36 0.00 0.00 0.00 0.00 173.10 175.58 3h72 s ALA 472 N -2.01 3.56 0.70 3.20 0.00 -1.26 -4.70 121.76 121.25 3h72 s ALA 472 Ca 0.74 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.75 3h72 s ALA 472 Cb -0.29 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.16 3h72 s ALA 472 CO 0.46 -0.66 1.08 0.71 0.00 0.00 0.00 175.76 177.34 3h72 s TYR 473 N 2.05 3.23 0.06 0.00 1.51 -0.52 -3.78 117.35 119.90 3h72 s TYR 473 Ca 0.14 0.91 0.01 0.00 -1.01 0.00 0.00 57.07 57.12 3h72 s TYR 473 Cb -0.16 -3.10 -0.03 0.00 -0.11 0.00 0.00 41.96 38.56 3h72 s TYR 473 CO 0.10 -1.23 -0.06 0.95 -1.11 0.00 0.00 175.55 174.20 3h72 s THR 474 N -3.33 0.45 -0.35 -0.71 -4.23 -0.39 -1.26 115.64 105.82 3h72 s THR 474 Ca 0.58 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.52 3h72 s THR 474 Cb -0.11 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.68 3h72 s THR 474 CO 0.50 -0.67 0.21 -0.63 -0.54 0.00 0.00 174.62 173.48 3h72 s ILE 475 N -2.58 4.85 0.00 2.99 1.01 -0.68 -0.50 121.20 126.29 3h72 s ILE 475 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3h72 s ILE 475 Cb -0.02 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.88 3h72 s ILE 475 CO -0.03 -0.08 0.00 0.54 0.00 0.00 0.00 174.94 175.36 3h72 n ARG 476 N 5.04 3.58 -1.58 2.79 1.74 -0.17 -4.17 116.66 123.88 3h72 n ARG 476 Ca -0.13 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.50 3h72 n ARG 476 Cb 0.48 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.90 3h72 n ARG 476 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3h72 n GLU 477 N 0.00 1.28 -0.94 5.56 0.00 -1.26 -0.90 120.64 124.38 3h72 n GLU 477 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 57.16 57.61 3h72 n GLU 477 Cb 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 31.44 29.59 3h72 n GLU 477 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3h72 n ASN 478 N 1.50 -4.30 0.00 -1.84 3.02 -1.26 -2.34 115.26 110.04 3h72 n ASN 478 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3h72 n ASN 478 Cb 0.30 -2.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.00 3h72 n ASN 478 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h72 n GLY 479 N -0.48 0.70 3.72 7.41 0.00 -0.08 -4.72 105.19 111.75 3h72 n GLY 479 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3h72 n GLY 479 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h72 s THR 480 N -2.50 2.85 -0.10 2.61 2.01 -0.99 -0.08 115.64 119.44 3h72 s THR 480 Ca 0.00 0.64 -0.24 0.00 0.31 0.00 0.00 61.69 62.40 3h72 s THR 480 Cb 0.00 -3.41 -0.03 0.00 0.01 0.00 0.00 72.50 69.07 3h72 s THR 480 CO 0.00 0.06 0.73 -0.69 -0.69 0.00 0.00 174.62 174.03 3h72 s VAL 481 N 0.81 5.00 -0.04 3.82 1.01 -0.66 -1.00 120.40 129.34 3h72 s VAL 481 Ca 0.65 1.48 0.02 0.00 0.00 0.00 0.00 61.98 64.13 3h72 s VAL 481 Cb -0.41 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 3h72 s VAL 481 CO 0.34 0.18 -0.07 -0.31 0.00 0.00 0.00 175.10 175.24 3h72 s TYR 482 N 1.25 2.92 0.94 5.22 1.51 0.34 -1.35 117.35 128.17 3h72 s TYR 482 Ca 0.37 0.00 -0.11 0.00 -1.01 0.00 0.00 57.07 56.32 3h72 s TYR 482 Cb -0.17 -1.67 0.16 0.00 -0.11 0.00 0.00 41.96 40.16 3h72 s TYR 482 CO 0.16 0.35 1.09 0.95 -1.11 0.00 0.00 175.55 176.99 3h72 s THR 483 N -0.88 2.48 0.55 -0.71 -4.23 0.35 -1.26 115.64 111.94 3h72 s THR 483 Ca 0.14 0.16 0.23 0.00 -1.18 0.00 0.00 61.69 61.04 3h72 s THR 483 Cb -0.11 -2.49 0.34 0.00 1.34 0.00 0.00 72.50 71.58 3h72 s THR 483 CO 0.04 -0.20 2.11 -0.65 -0.54 0.00 0.00 174.62 175.37 3h72 h PRO 484 N -1.77 0.00 -0.12 3.99 0.11 -1.90 -0.08 132.00 132.23 3h72 h PRO 484 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3h72 h PRO 484 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3h72 h PRO 484 CO 0.51 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 3h72 n ASP 485 N -4.22 0.96 0.00 -2.05 5.75 -1.26 -4.90 116.55 110.83 3h72 n ASP 485 Ca 0.02 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3h72 n ASP 485 Cb 0.29 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3h72 n ASP 485 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h72 n GLY 486 N 0.93 0.62 3.61 6.12 0.00 -0.04 -5.07 105.19 111.36 3h72 n GLY 486 Ca 0.13 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 3h72 n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h72 s LYS 487 N -2.12 3.06 0.36 1.61 1.02 -1.26 -4.85 119.74 117.56 3h72 s LYS 487 Ca 0.00 -0.48 -0.27 0.00 0.02 0.00 0.00 55.97 55.24 3h72 s LYS 487 Cb 0.00 -2.75 -0.09 0.00 -0.52 0.00 0.00 37.83 34.46 3h72 s LYS 487 CO 0.00 0.59 1.25 0.00 -0.92 0.00 0.00 175.35 176.27 3h72 s ALA 488 N -0.59 3.34 0.51 5.17 0.00 -1.26 -0.50 121.76 128.43 3h72 s ALA 488 Ca 0.09 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.23 3h72 s ALA 488 Cb -0.12 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.60 3h72 s ALA 488 CO 0.02 -0.61 0.28 0.25 0.00 0.00 0.00 175.76 175.69 3h72 n THR 489 N 0.48 0.00 0.15 0.00 -2.24 -0.46 -4.88 114.28 107.33 3h72 n THR 489 Ca 0.02 -2.12 0.08 0.00 -2.27 0.00 0.00 64.05 59.76 3h72 n THR 489 Cb 0.44 0.09 0.25 0.00 -2.10 0.00 0.00 70.33 69.01 3h72 n THR 489 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3h72 n ASP 490 N -1.68 3.19 -4.88 3.42 5.75 -1.26 -4.71 116.55 116.38 3h72 n ASP 490 Ca -0.07 -2.11 -0.33 0.00 -0.01 0.00 0.00 54.79 52.26 3h72 n ASP 490 Cb 0.60 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 40.22 3h72 n ASP 490 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 3h72 s TYR 491 N -1.43 3.54 -0.01 2.11 1.51 -1.26 -1.03 117.35 120.78 3h72 s TYR 491 Ca 0.37 0.67 -0.05 0.00 -1.01 0.00 0.00 57.07 57.05 3h72 s TYR 491 Cb 0.21 -2.08 0.00 0.00 -0.11 0.00 0.00 41.96 39.98 3h72 s TYR 491 CO 0.23 0.50 0.11 -0.98 -1.11 0.00 0.00 175.55 174.30 3h72 s ARG 492 N -2.16 0.34 -0.06 -0.62 1.70 0.11 -1.66 118.95 116.60 3h72 s ARG 492 Ca 0.35 -0.22 0.00 0.00 -0.47 0.00 0.00 55.73 55.39 3h72 s ARG 492 Cb -0.13 0.14 -0.03 0.00 -0.57 0.00 0.00 34.95 34.36 3h72 s ARG 492 CO 0.20 -0.07 -0.03 0.08 -1.08 0.00 0.00 175.30 174.39 3h72 s VAL 493 N -0.87 3.97 -0.67 4.99 1.01 0.89 -0.31 120.40 129.41 3h72 s VAL 493 Ca -0.10 -0.44 -0.27 0.00 0.00 0.00 0.00 61.98 61.18 3h72 s VAL 493 Cb -0.06 -2.67 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3h72 s VAL 493 CO 0.01 0.56 1.33 -0.69 0.00 0.00 0.00 175.10 176.31 3h72 s VAL 494 N -0.89 3.76 -1.07 2.92 1.01 -0.09 -4.39 120.40 121.65 3h72 s VAL 494 Ca 0.14 0.53 0.19 0.00 0.00 0.00 0.00 61.98 62.84 3h72 s VAL 494 Cb -0.11 -4.72 -0.16 0.00 0.00 0.00 0.00 36.38 31.38 3h72 s VAL 494 CO 0.03 -1.57 0.83 1.33 0.00 0.00 0.00 175.10 175.72 3h72 n VAL 495 N 6.58 0.00 -3.52 2.92 0.24 -1.26 -1.53 118.33 121.76 3h72 n VAL 495 Ca 0.07 -0.11 -0.27 0.00 -2.04 0.00 0.00 64.34 61.99 3h72 n VAL 495 Cb 0.49 1.05 -0.09 0.00 -1.47 0.00 0.00 33.84 33.82 3h72 n VAL 495 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3h72 n ASP 496 N -1.15 1.99 -4.76 -1.34 8.00 -1.26 -5.03 116.55 113.00 3h72 n ASP 496 Ca 0.04 -3.01 -0.38 0.00 0.71 0.00 0.00 54.79 52.15 3h72 n ASP 496 Cb 0.32 -0.67 0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3h72 n ASP 496 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3h72 s PRO 497 N -1.40 3.32 0.00 -0.24 0.04 -1.26 -4.98 135.00 130.48 3h72 s PRO 497 Ca 0.33 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3h72 s PRO 497 Cb 0.07 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.26 3h72 s PRO 497 CO -0.12 -1.03 0.00 1.33 0.04 0.00 0.00 177.00 177.22 3h72 n VAL 498 N -0.80 0.00 -1.60 -0.36 0.24 -1.26 -4.95 118.33 109.60 3h72 n VAL 498 Ca 0.09 -0.29 -0.31 0.00 -2.04 0.00 0.00 64.34 61.79 3h72 n VAL 498 Cb 0.45 0.95 0.05 0.00 -1.47 0.00 0.00 33.84 33.81 3h72 n VAL 498 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3h72 s LYS 499 N -0.67 2.99 0.30 7.34 1.02 -1.26 -4.90 119.74 124.55 3h72 s LYS 499 Ca 0.00 0.95 -0.29 0.00 0.02 0.00 0.00 55.97 56.64 3h72 s LYS 499 Cb 0.00 -2.00 -0.13 0.00 -0.52 0.00 0.00 37.83 35.19 3h72 s LYS 499 CO 0.00 -1.06 1.33 -2.30 -0.92 0.00 0.00 175.35 172.41 3h72 n PRO 500 N -3.09 2.07 -0.85 -1.68 -0.02 -1.26 -0.27 135.00 129.90 3h72 n PRO 500 Ca 0.07 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3h72 n PRO 500 Cb 0.54 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3h72 n PRO 500 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h72 n ALA 501 N 1.02 0.00 -3.40 3.55 0.00 -1.26 -2.99 120.51 117.42 3h72 n ALA 501 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 3h72 n ALA 501 Cb 0.34 -0.80 0.04 0.00 0.00 0.00 0.00 19.45 19.03 3h72 n ALA 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h72 n TYR 502 N -2.19 -2.27 0.44 0.00 4.02 0.62 -1.55 117.16 116.24 3h72 n TYR 502 Ca 0.00 0.73 0.05 0.00 -0.01 0.00 0.00 57.90 58.67 3h72 n TYR 502 Cb 0.17 -4.33 0.25 0.00 -0.02 0.00 0.00 39.34 35.40 3h72 n TYR 502 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h72 n SER 503 N -2.69 0.00 -0.71 7.72 3.41 -1.16 -1.73 113.62 118.47 3h72 n SER 503 Ca -0.04 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 58.96 3h72 n SER 503 Cb 0.57 -0.36 0.19 0.00 -0.26 0.00 0.00 64.21 64.36 3h72 n SER 503 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h72 n ASP 504 N -1.36 2.32 -4.73 4.04 5.75 -1.26 -3.52 116.55 117.78 3h72 n ASP 504 Ca 0.04 -1.70 -0.42 0.00 -0.01 0.00 0.00 54.79 52.70 3h72 n ASP 504 Cb 0.10 0.11 -0.02 0.00 -1.03 0.00 0.00 41.12 40.27 3h72 n ASP 504 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3h72 s LYS 505 N -2.14 4.14 0.00 0.11 2.20 -0.70 -1.73 119.74 121.61 3h72 s LYS 505 Ca 0.28 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.45 3h72 s LYS 505 Cb 0.20 -3.06 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 3h72 s LYS 505 CO 0.38 -0.68 0.00 0.41 -0.36 0.00 0.00 175.35 175.10 3h72 n GLY 506 N 3.22 1.22 3.68 5.54 0.00 -0.58 -4.91 105.19 113.35 3h72 n GLY 506 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.71 3h72 n GLY 506 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h72 n ASP 507 N 0.00 2.77 -4.42 1.61 8.00 -0.71 -1.10 116.55 122.71 3h72 n ASP 507 Ca 0.00 1.16 -0.36 0.00 0.71 0.00 0.00 54.79 56.30 3h72 n ASP 507 Cb 0.00 -1.45 -0.13 0.00 -0.02 0.00 0.00 41.12 39.52 3h72 n ASP 507 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h72 s LEU 508 N -0.27 3.34 0.16 0.64 1.98 -0.05 -0.92 118.68 123.56 3h72 s LEU 508 Ca 0.64 -0.24 0.08 0.00 -2.89 0.00 0.00 54.13 51.71 3h72 s LEU 508 Cb -0.62 -1.89 -0.04 0.00 0.66 0.00 0.00 46.19 44.30 3h72 s LEU 508 CO 0.54 -0.03 -0.06 -0.31 -1.89 0.00 0.00 176.35 174.59 3h72 s TYR 509 N 1.59 2.72 -0.27 5.38 1.51 0.57 -0.53 117.35 128.32 3h72 s TYR 509 Ca 0.06 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 55.95 3h72 s TYR 509 Cb -0.15 -1.35 0.08 0.00 -0.11 0.00 0.00 41.96 40.43 3h72 s TYR 509 CO 0.02 0.50 0.01 0.21 -1.11 0.00 0.00 175.55 175.18 3h72 s LYS 510 N -2.75 1.26 7.32 -0.62 2.20 -0.15 -0.71 119.74 126.29 3h72 s LYS 510 Ca 0.25 -1.09 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 3h72 s LYS 510 Cb -0.09 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 3h72 s LYS 510 CO 0.16 -0.76 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 3h72 n GLY 511 N 4.69 2.29 0.98 5.54 0.00 -0.20 -1.98 105.19 116.51 3h72 n GLY 511 Ca -0.07 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.70 3h72 n GLY 511 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h72 n ASN 512 N 7.33 3.25 -4.71 1.61 5.15 -1.26 -4.90 115.26 121.73 3h72 n ASN 512 Ca 0.00 -1.93 -0.35 0.00 -0.60 0.00 0.00 54.58 51.70 3h72 n ASN 512 Cb 0.00 -0.27 -0.08 0.00 -0.53 0.00 0.00 39.78 38.90 3h72 n ASN 512 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 3h72 s GLN 513 N -1.19 4.16 -0.14 1.20 0.74 -0.84 -5.06 119.66 118.53 3h72 s GLN 513 Ca 0.34 -0.24 -0.29 0.00 0.05 0.00 0.00 55.36 55.22 3h72 s GLN 513 Cb 0.19 -3.44 -0.02 0.00 1.10 0.00 0.00 33.01 30.84 3h72 s GLN 513 CO 0.26 0.24 1.22 -1.17 -0.55 0.00 0.00 175.29 175.29 3h72 s LEU 514 N 0.53 4.20 -0.16 3.68 2.96 -1.26 -0.97 118.68 127.66 3h72 s LEU 514 Ca 0.08 1.69 0.11 0.00 -0.22 0.00 0.00 54.13 55.79 3h72 s LEU 514 Cb -0.12 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 42.85 3h72 s LEU 514 CO -0.00 -0.70 0.00 0.18 -1.32 0.00 0.00 176.35 174.51 3h72 n LEU 515 N 6.17 0.66 0.00 -0.68 4.77 0.31 -4.96 117.00 123.27 3h72 n LEU 515 Ca 0.13 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3h72 n LEU 515 Cb 0.45 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 3h72 n LEU 515 CO 0.55 0.48 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 3h72 n GLY 516 N 2.17 -0.99 3.31 -0.72 0.00 -1.05 -3.75 105.19 104.16 3h72 n GLY 516 Ca -0.27 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.61 3h72 n GLY 516 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h72 s ASN 517 N -4.00 -0.46 0.00 1.61 2.47 -1.26 -0.87 114.94 112.43 3h72 s ASN 517 Ca 0.00 0.86 0.14 0.00 0.42 0.00 0.00 52.86 54.28 3h72 s ASN 517 Cb 0.00 0.84 0.64 0.00 -1.45 0.00 0.00 41.25 41.29 3h72 s ASN 517 CO 0.00 -0.16 1.39 2.30 -3.72 0.00 0.00 177.10 176.92 3h72 n ILE 518 N 3.17 0.81 1.07 -5.21 -5.35 -0.25 -2.06 119.36 111.53 3h72 n ILE 518 Ca -0.15 0.20 0.12 0.00 -0.27 0.00 0.00 62.75 62.65 3h72 n ILE 518 Cb 0.57 -0.97 0.10 0.00 -1.74 0.00 0.00 39.64 37.60 3h72 n ILE 518 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3h72 n TYR 519 N -1.38 0.00 -2.82 4.28 0.53 -1.26 -1.27 117.16 115.24 3h72 n TYR 519 Ca 0.05 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.53 3h72 n TYR 519 Cb 0.13 -0.03 -0.06 0.00 -1.03 0.00 0.00 39.34 38.35 3h72 n TYR 519 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3h72 s PHE 520 N -2.45 3.93 -0.06 -0.72 2.99 -0.88 -0.53 117.98 120.26 3h72 s PHE 520 Ca 0.21 1.80 0.02 0.00 0.00 0.00 0.00 56.93 58.95 3h72 s PHE 520 Cb 0.19 -2.92 -0.02 0.00 0.00 0.00 0.00 43.02 40.26 3h72 s PHE 520 CO 0.54 0.43 0.06 0.25 -0.00 0.00 0.00 175.22 176.50 3h72 n THR 521 N 1.79 0.00 -4.29 0.64 -2.24 -1.26 -4.81 114.28 104.10 3h72 n THR 521 Ca -0.02 -0.34 -0.16 0.00 -2.27 0.00 0.00 64.05 61.26 3h72 n THR 521 Cb 0.48 0.85 -0.10 0.00 -2.10 0.00 0.00 70.33 69.46 3h72 n THR 521 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h72 s THR 522 N -1.44 1.39 -1.61 4.28 -4.23 -1.26 -4.82 115.64 107.94 3h72 s THR 522 Ca 0.00 -2.12 -0.14 0.00 -1.18 0.00 0.00 61.69 58.26 3h72 s THR 522 Cb 0.01 -1.96 0.14 0.00 1.34 0.00 0.00 72.50 72.03 3h72 s THR 522 CO 0.07 -0.66 0.34 0.59 -0.54 0.00 0.00 174.62 174.42 3h72 n ASN 523 N -0.29 -0.70 -4.76 3.99 5.03 -1.26 -4.75 115.26 112.53 3h72 n ASN 523 Ca -0.09 -1.16 -0.38 0.00 0.87 0.00 0.00 54.58 53.83 3h72 n ASN 523 Cb 0.61 -1.46 0.01 0.00 -1.02 0.00 0.00 39.78 37.91 3h72 n ASN 523 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3h72 s LYS 524 N -6.84 3.60 0.00 3.52 1.02 -1.26 -4.83 119.74 114.96 3h72 s LYS 524 Ca 0.47 1.96 0.12 0.00 0.02 0.00 0.00 55.97 58.55 3h72 s LYS 524 Cb -0.28 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.58 3h72 s LYS 524 CO 0.93 -0.73 0.65 0.25 -0.92 0.00 0.00 175.35 175.53 3h72 n THR 525 N -0.56 0.00 -4.50 2.17 -2.24 -1.26 -4.98 114.28 102.91 3h72 n THR 525 Ca 0.08 -0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.28 3h72 n THR 525 Cb 0.46 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.69 3h72 n THR 525 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h72 s SER 526 N -1.74 3.83 0.00 3.42 1.04 -1.25 -4.70 113.70 114.30 3h72 s SER 526 Ca 0.08 -1.16 0.28 0.00 0.48 0.00 0.00 55.95 55.63 3h72 s SER 526 Cb 0.10 -0.39 1.07 0.00 0.10 0.00 0.00 66.02 66.90 3h72 s SER 526 CO 0.37 -0.22 1.79 -2.65 0.98 0.00 0.00 173.24 173.51 3h72 n PRO 527 N -0.83 0.21 -4.64 4.02 -0.02 -1.26 -4.94 135.00 127.54 3h72 n PRO 527 Ca -0.05 -0.06 -0.29 0.00 -2.02 0.00 0.00 63.50 61.08 3h72 n PRO 527 Cb 0.63 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.48 3h72 n PRO 527 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3h72 s PHE 528 N -2.83 2.23 0.00 6.00 0.08 -1.26 -4.14 117.98 118.07 3h72 s PHE 528 Ca 0.18 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.71 3h72 s PHE 528 Cb 0.19 -1.28 0.02 0.00 -0.57 0.00 0.00 43.02 41.38 3h72 s PHE 528 CO 0.55 0.21 0.27 -0.98 -0.10 0.00 0.00 175.22 175.17 3h72 s ARG 529 N -1.60 0.66 1.01 0.44 1.70 -0.94 -4.22 118.95 116.00 3h72 s ARG 529 Ca 0.12 -0.32 -0.16 0.00 -0.47 0.00 0.00 55.73 54.90 3h72 s ARG 529 Cb -0.10 0.29 0.21 0.00 -0.57 0.00 0.00 34.95 34.78 3h72 s ARG 529 CO 0.04 -0.19 1.24 0.96 -1.08 0.00 0.00 175.30 176.27 3h72 s ILE 530 N -1.64 1.90 0.35 4.99 -4.36 -0.40 -0.37 121.20 121.66 3h72 s ILE 530 Ca -0.12 0.00 -0.28 0.00 -0.26 0.00 0.00 60.65 59.99 3h72 s ILE 530 Cb -0.05 -2.84 -0.10 0.00 1.25 0.00 0.00 42.46 40.73 3h72 s ILE 530 CO 0.02 0.00 1.28 0.00 0.24 0.00 0.00 174.94 176.47 3h72 s ALA 531 N -3.57 3.41 -0.52 2.27 0.00 -1.26 -4.77 121.76 117.32 3h72 s ALA 531 Ca 0.71 1.20 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 3h72 s ALA 531 Cb -0.07 -3.46 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3h72 s ALA 531 CO 0.54 -0.62 1.34 0.15 0.00 0.00 0.00 175.76 177.16 3h72 s LYS 532 N -1.90 3.46 0.26 0.00 1.02 -1.26 -4.86 119.74 116.46 3h72 s LYS 532 Ca 0.51 0.55 -0.14 0.00 0.02 0.00 0.00 55.97 56.90 3h72 s LYS 532 Cb -0.38 -4.05 0.05 0.00 -0.52 0.00 0.00 37.83 32.93 3h72 s LYS 532 CO 0.50 -1.74 0.73 -3.47 -0.92 0.00 0.00 175.35 170.45 3h72 n ASP 533 N 8.98 -1.75 -4.74 2.83 2.03 -1.26 -4.60 116.55 118.05 3h72 n ASP 533 Ca 0.13 -2.12 -0.36 0.00 0.52 0.00 0.00 54.79 52.96 3h72 n ASP 533 Cb 0.49 2.89 -0.07 0.00 -0.72 0.00 0.00 41.12 43.70 3h72 n ASP 533 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3h72 s SER 534 N -2.83 6.37 0.30 1.67 0.15 -1.26 -4.38 113.70 113.71 3h72 s SER 534 Ca 0.15 0.42 0.08 0.00 0.70 0.00 0.00 55.95 57.30 3h72 s SER 534 Cb -0.03 -2.15 -0.06 0.00 -1.71 0.00 0.00 66.02 62.07 3h72 s SER 534 CO 0.08 0.14 -0.07 -0.31 1.20 0.00 0.00 173.24 174.28 3h72 s TYR 535 N 0.35 2.12 -0.12 3.44 1.51 0.17 -4.73 117.35 120.09 3h72 s TYR 535 Ca 0.14 -0.62 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 3h72 s TYR 535 Cb -0.12 -1.21 0.02 0.00 -0.11 0.00 0.00 41.96 40.54 3h72 s TYR 535 CO 0.02 0.39 -0.12 -1.17 -1.11 0.00 0.00 175.55 173.56 3h72 s LEU 536 N -3.50 1.54 0.27 -1.29 2.96 -1.26 -1.28 118.68 116.12 3h72 s LEU 536 Ca 0.31 -0.40 0.10 0.00 -0.22 0.00 0.00 54.13 53.92 3h72 s LEU 536 Cb 0.03 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.65 3h72 s LEU 536 CO 0.14 -0.05 -0.06 0.26 -1.32 0.00 0.00 176.35 175.32 3h72 s TRP 537 N 1.34 2.57 -0.04 5.38 0.52 0.23 -1.53 118.94 127.42 3h72 s TRP 537 Ca 0.00 -0.26 -0.03 0.00 0.02 0.00 0.00 56.10 55.83 3h72 s TRP 537 Cb -0.14 -1.14 0.02 0.00 -1.15 0.00 0.00 33.47 31.06 3h72 s TRP 537 CO -0.06 0.65 0.09 1.41 0.02 0.00 0.00 176.95 179.06 3h72 s MET 538 N -3.63 0.08 0.06 4.98 -2.45 0.46 -1.53 119.30 117.28 3h72 s MET 538 Ca 0.31 0.18 0.05 0.00 -1.25 0.00 0.00 55.69 54.98 3h72 s MET 538 Cb -0.06 -0.03 -0.03 0.00 1.25 0.00 0.00 34.83 35.97 3h72 s MET 538 CO 0.18 -0.06 -0.15 -1.12 1.05 0.00 0.00 175.02 174.93 3h72 s SER 539 N 0.38 1.75 0.11 1.11 0.01 -0.47 -0.23 113.70 116.36 3h72 s SER 539 Ca -0.03 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 56.70 3h72 s SER 539 Cb -0.04 -0.09 -0.04 0.00 0.21 0.00 0.00 66.02 66.06 3h72 s SER 539 CO -0.01 -0.01 -0.04 -0.72 0.41 0.00 0.00 173.24 172.87 3h72 s TYR 540 N -1.05 0.90 -0.03 2.43 -0.85 -1.26 -0.93 117.35 116.57 3h72 s TYR 540 Ca 0.00 -0.98 0.02 0.00 -0.52 0.00 0.00 57.07 55.60 3h72 s TYR 540 Cb -0.09 -0.53 0.01 0.00 0.38 0.00 0.00 41.96 41.73 3h72 s TYR 540 CO 0.02 -0.21 -0.07 0.45 -1.52 0.00 0.00 175.55 174.22 3h72 s SER 541 N -3.05 1.02 0.00 -0.18 0.15 0.20 -1.16 113.70 110.68 3h72 s SER 541 Ca 0.14 -0.15 0.11 0.00 0.70 0.00 0.00 55.95 56.76 3h72 s SER 541 Cb 0.06 -0.34 0.25 0.00 -1.71 0.00 0.00 66.02 64.28 3h72 s SER 541 CO -0.03 0.02 1.15 0.47 1.20 0.00 0.00 173.24 176.05 3h72 n ASP 542 N 3.53 2.68 -2.24 5.45 8.00 -1.26 -0.80 116.55 131.90 3h72 n ASP 542 Ca -0.20 -1.84 -0.21 0.00 0.71 0.00 0.00 54.79 53.24 3h72 n ASP 542 Cb 0.53 -0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 3h72 n ASP 542 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h72 n ASP 543 N 0.60 4.37 -2.10 -2.24 5.68 -1.26 -4.96 116.55 116.65 3h72 n ASP 543 Ca 0.11 -3.51 -0.18 0.00 -0.50 0.00 0.00 54.79 50.71 3h72 n ASP 543 Cb 0.39 -0.39 -0.00 0.00 -1.14 0.00 0.00 41.12 39.98 3h72 n ASP 543 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3h72 n ASP 544 N -0.62 -5.24 0.00 -1.12 2.03 -1.26 -3.01 116.55 107.33 3h72 n ASP 544 Ca 0.37 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.64 3h72 n ASP 544 Cb 0.88 -4.28 0.00 0.00 -0.72 0.00 0.00 41.12 36.99 3h72 n ASP 544 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h72 n GLY 545 N -1.06 0.81 0.20 0.27 0.00 -1.26 -4.97 105.19 99.18 3h72 n GLY 545 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 3h72 n GLY 545 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h72 h LYS 546 N 3.94 0.65 -5.23 1.61 1.57 -1.96 -3.46 116.57 113.70 3h72 h LYS 546 Ca 0.00 -0.39 -0.39 0.00 -1.87 0.00 0.00 60.65 58.00 3h72 h LYS 546 Cb 0.00 0.04 -0.21 0.00 0.08 0.00 0.00 32.23 32.14 3h72 h LYS 546 CO 0.00 1.00 -0.77 0.95 -0.57 0.00 0.00 179.45 180.06 3h72 s THR 547 N -4.17 1.06 0.11 -0.16 -4.23 -1.26 -5.02 115.64 101.97 3h72 s THR 547 Ca -0.12 -1.36 0.07 0.00 -1.18 0.00 0.00 61.69 59.10 3h72 s THR 547 Cb 0.08 -1.10 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 3h72 s THR 547 CO 0.83 -0.30 -0.18 0.26 -0.54 0.00 0.00 174.62 174.69 3h72 s TRP 548 N -1.49 1.62 0.85 3.99 0.52 -1.26 -4.39 118.94 118.77 3h72 s TRP 548 Ca -0.01 -0.46 -0.12 0.00 0.02 0.00 0.00 56.10 55.54 3h72 s TRP 548 Cb -0.09 -0.87 0.10 0.00 -1.15 0.00 0.00 33.47 31.47 3h72 s TRP 548 CO 0.02 0.19 1.10 -1.54 0.02 0.00 0.00 176.95 176.74 3h72 s SER 549 N -2.11 3.97 0.52 2.95 1.04 -0.31 -4.95 113.70 114.82 3h72 s SER 549 Ca 0.07 1.32 -0.20 0.00 0.48 0.00 0.00 55.95 57.62 3h72 s SER 549 Cb -0.08 -2.01 -0.07 0.00 0.10 0.00 0.00 66.02 63.95 3h72 s SER 549 CO 0.04 -2.30 1.09 0.00 0.98 0.00 0.00 173.24 173.05 3h72 s ALA 550 N -3.09 2.77 0.33 5.32 0.00 -1.26 -4.57 121.76 121.26 3h72 s ALA 550 Ca 0.62 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 3h72 s ALA 550 Cb -0.16 -3.32 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 3h72 s ALA 550 CO 0.55 -0.58 1.34 -2.30 0.00 0.00 0.00 175.76 174.77 3h72 n PRO 551 N -1.15 2.20 -4.81 0.00 -0.02 -1.26 -4.79 135.00 125.17 3h72 n PRO 551 Ca 0.11 0.77 -0.33 0.00 -2.02 0.00 0.00 63.50 62.03 3h72 n PRO 551 Cb 0.52 -2.39 -0.14 0.00 -0.02 0.00 0.00 33.50 31.46 3h72 n PRO 551 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3h72 s GLN 552 N -1.62 3.29 -0.59 -0.52 0.74 0.68 -4.91 119.66 116.73 3h72 s GLN 552 Ca 0.57 -0.69 -0.25 0.00 0.05 0.00 0.00 55.36 55.04 3h72 s GLN 552 Cb -0.57 -2.60 0.04 0.00 1.10 0.00 0.00 33.01 30.99 3h72 s GLN 552 CO 0.60 0.25 1.03 0.34 -0.55 0.00 0.00 175.29 176.96 3h72 s ASP 553 N 0.25 6.32 0.00 6.67 2.15 -1.26 -0.40 116.67 130.39 3h72 s ASP 553 Ca -0.09 -0.36 0.26 0.00 0.43 0.00 0.00 52.55 52.78 3h72 s ASP 553 Cb -0.16 -2.47 0.65 0.00 -0.30 0.00 0.00 42.92 40.64 3h72 s ASP 553 CO 0.05 -1.38 1.52 2.30 -0.17 0.00 0.00 175.17 177.49 3h72 n ILE 554 N 6.27 0.00 -0.24 4.11 -5.35 -0.58 -4.53 119.36 119.04 3h72 n ILE 554 Ca 0.02 -0.36 -0.01 0.00 -0.27 0.00 0.00 62.75 62.13 3h72 n ILE 554 Cb 0.48 0.96 0.06 0.00 -1.74 0.00 0.00 39.64 39.39 3h72 n ILE 554 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3h72 h THR 555 N 3.41 0.25 0.00 7.28 2.02 -1.85 -0.42 112.91 123.59 3h72 h THR 555 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3h72 h THR 555 Cb 0.73 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3h72 h THR 555 CO 0.00 0.00 0.02 1.55 0.37 0.00 0.00 175.52 177.46 3h72 h PRO 556 N -0.04 0.00 0.00 6.66 0.13 -1.90 0.12 132.00 136.97 3h72 h PRO 556 Ca 0.31 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.30 3h72 h PRO 556 Cb 0.53 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 3h72 h PRO 556 CO -0.73 0.00 -0.77 0.52 -0.23 0.00 0.00 178.00 176.79 3h72 h MET 557 N 0.00 0.00 0.00 0.86 2.86 -1.38 -3.41 114.93 113.86 3h72 h MET 557 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h72 h MET 557 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3h72 h MET 557 CO 0.00 0.64 -0.54 1.33 1.06 0.00 0.00 176.91 179.40 3h72 n VAL 558 N -3.23 0.00 -3.01 -2.22 0.24 -0.78 -4.52 118.33 104.82 3h72 n VAL 558 Ca -0.00 -0.08 -0.41 0.00 -2.04 0.00 0.00 64.34 61.81 3h72 n VAL 558 Cb 0.82 0.50 -0.05 0.00 -1.47 0.00 0.00 33.84 33.63 3h72 n VAL 558 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h72 s LYS 559 N -1.24 4.08 0.68 7.34 2.20 -0.04 -4.64 119.74 128.11 3h72 s LYS 559 Ca 0.00 0.65 -0.12 0.00 -0.36 0.00 0.00 55.97 56.14 3h72 s LYS 559 Cb 0.00 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 3h72 s LYS 559 CO 0.00 -0.52 1.06 0.00 -0.36 0.00 0.00 175.35 175.53 3h72 s ALA 560 N 2.72 2.63 0.44 3.13 0.00 -1.26 -4.88 121.76 124.55 3h72 s ALA 560 Ca 0.30 0.21 0.34 0.00 0.00 0.00 0.00 51.96 52.81 3h72 s ALA 560 Cb -0.15 -3.21 1.78 0.00 0.00 0.00 0.00 23.12 21.54 3h72 s ALA 560 CO 0.09 -1.19 2.17 -0.44 0.00 0.00 0.00 175.76 176.39 3h72 h ASP 561 N -0.43 0.00 1.20 0.00 3.32 -2.02 -2.60 116.42 115.89 3h72 h ASP 561 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 3h72 h ASP 561 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3h72 h ASP 561 CO 0.56 0.05 -0.74 4.11 -1.72 0.00 0.00 179.24 181.50 3h72 h TRP 562 N 0.00 0.00 -3.49 4.55 5.08 -1.99 -3.47 115.95 116.62 3h72 h TRP 562 Ca -0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 3h72 h TRP 562 Cb 0.24 0.00 0.06 0.00 -3.00 0.00 0.00 29.16 26.46 3h72 h TRP 562 CO 0.00 0.00 0.75 -1.64 -1.28 0.00 0.00 178.44 176.27 3h72 s MET 563 N -3.31 4.26 0.00 0.12 -1.94 -0.98 -4.30 119.30 113.16 3h72 s MET 563 Ca 0.02 2.32 0.00 0.00 -1.71 0.00 0.00 55.69 56.32 3h72 s MET 563 Cb 0.09 -3.09 0.00 0.00 2.01 0.00 0.00 34.83 33.84 3h72 s MET 563 CO 0.76 -0.40 0.00 1.17 -0.01 0.00 0.00 175.02 176.54 3h72 n LYS 564 N 1.96 0.00 -3.29 2.03 4.81 -0.55 -4.94 118.16 118.18 3h72 n LYS 564 Ca 0.05 0.00 -0.37 0.00 -0.87 0.00 0.00 58.31 57.12 3h72 n LYS 564 Cb 0.40 -0.10 -0.06 0.00 0.02 0.00 0.00 35.03 35.30 3h72 n LYS 564 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3h72 s PHE 565 N 0.00 3.71 -0.19 5.64 5.36 -1.23 -4.29 117.98 126.98 3h72 s PHE 565 Ca 0.00 1.21 -0.04 0.00 -0.96 0.00 0.00 56.93 57.14 3h72 s PHE 565 Cb 0.00 -2.46 0.09 0.00 -0.34 0.00 0.00 43.02 40.31 3h72 s PHE 565 CO 0.00 0.50 0.22 -1.17 -1.46 0.00 0.00 175.22 173.31 3h72 s LEU 566 N -1.53 -0.11 0.20 6.12 2.96 -1.26 -1.90 118.68 123.16 3h72 s LEU 566 Ca 0.34 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 3h72 s LEU 566 Cb -0.17 0.38 -0.03 0.00 0.50 0.00 0.00 46.19 46.87 3h72 s LEU 566 CO 0.19 -0.32 0.23 -0.83 -1.32 0.00 0.00 176.35 174.30 3h72 s GLY 567 N 2.33 1.03 0.55 7.98 0.00 -0.71 -4.56 107.32 113.95 3h72 s GLY 567 Ca 0.06 -1.36 -0.11 0.00 0.00 0.00 0.00 44.72 43.32 3h72 s GLY 567 CO -0.12 -1.13 0.95 -1.34 0.00 0.00 0.00 173.10 171.46 3h72 s VAL 568 N -4.09 4.73 -0.56 1.40 -7.23 -1.26 -0.45 120.40 112.94 3h72 s VAL 568 Ca 0.30 0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 61.06 3h72 s VAL 568 Cb 0.05 -3.83 0.10 0.00 0.56 0.00 0.00 36.38 33.26 3h72 s VAL 568 CO 0.08 -0.95 0.62 -0.83 -0.31 0.00 0.00 175.10 173.72 3h72 s GLY 569 N -3.88 1.87 0.52 2.32 0.00 -0.09 -4.74 107.32 103.32 3h72 s GLY 569 Ca 0.54 -2.24 -0.21 0.00 0.00 0.00 0.00 44.72 42.81 3h72 s GLY 569 CO 0.46 1.44 0.91 -1.55 0.00 0.00 0.00 173.10 174.36 3h72 n PRO 570 N 5.97 1.02 0.00 2.90 -0.04 -1.26 -4.63 135.00 138.96 3h72 n PRO 570 Ca -0.10 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 3h72 n PRO 570 Cb 0.42 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 3h72 n PRO 570 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h72 n GLY 571 N 1.32 0.43 3.06 0.55 0.00 -0.79 -4.91 105.19 104.86 3h72 n GLY 571 Ca 0.12 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 3h72 n GLY 571 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h72 s THR 572 N -3.29 1.59 0.55 2.61 2.01 -1.26 -1.67 115.64 116.17 3h72 s THR 572 Ca 0.00 -0.68 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 3h72 s THR 572 Cb 0.00 -1.46 0.13 0.00 0.01 0.00 0.00 72.50 71.18 3h72 s THR 572 CO 0.00 0.46 0.68 0.61 -0.69 0.00 0.00 174.62 175.68 3h72 n GLY 573 N 4.34 -1.61 3.22 4.40 0.00 0.58 -4.79 105.19 111.33 3h72 n GLY 573 Ca -0.19 -1.64 -0.13 0.00 0.00 0.00 0.00 46.02 44.06 3h72 n GLY 573 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h72 s ILE 574 N -2.44 0.22 -0.11 -0.61 -4.36 -1.06 -4.77 121.20 108.07 3h72 s ILE 574 Ca 0.40 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.83 3h72 s ILE 574 Cb -0.02 -2.37 0.01 0.00 1.25 0.00 0.00 42.46 41.34 3h72 s ILE 574 CO 0.28 -0.17 -0.17 -0.69 0.24 0.00 0.00 174.94 174.44 3h72 s VAL 575 N -3.99 1.58 0.29 8.37 1.01 -1.26 -0.43 120.40 125.98 3h72 s VAL 575 Ca 0.33 -0.70 -0.30 0.00 0.00 0.00 0.00 61.98 61.31 3h72 s VAL 575 Cb 0.07 -1.43 -0.12 0.00 0.00 0.00 0.00 36.38 34.91 3h72 s VAL 575 CO 0.09 0.46 1.61 0.18 0.00 0.00 0.00 175.10 177.44 3h72 n LEU 576 N 4.07 4.42 0.05 3.92 4.77 -0.05 -4.84 117.00 129.33 3h72 n LEU 576 Ca -0.20 1.14 0.10 0.00 -0.03 0.00 0.00 56.01 57.03 3h72 n LEU 576 Cb 0.51 -1.60 -0.08 0.00 -2.33 0.00 0.00 43.42 39.92 3h72 n LEU 576 CO 0.25 0.19 -0.35 0.54 -1.33 0.00 0.00 177.39 176.69 3h72 n ARG 577 N 2.21 0.63 -4.07 3.23 1.74 -1.26 -0.80 116.66 118.34 3h72 n ARG 577 Ca 0.09 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.03 3h72 n ARG 577 Cb 0.37 -1.70 -0.04 0.00 -1.02 0.00 0.00 32.46 30.07 3h72 n ARG 577 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3h72 s ASN 578 N -5.07 0.74 0.00 0.55 2.20 -1.26 -4.88 114.94 107.22 3h72 s ASN 578 Ca -0.04 -1.41 0.00 0.00 -0.94 0.00 0.00 52.86 50.47 3h72 s ASN 578 Cb 0.11 0.65 0.00 0.00 -2.00 0.00 0.00 41.25 40.01 3h72 s ASN 578 CO 0.84 -1.28 0.00 0.61 -2.94 0.00 0.00 177.10 174.33 3h72 n GLY 579 N -0.53 -1.13 0.34 0.45 0.00 -1.26 -3.55 105.19 99.51 3h72 n GLY 579 Ca 0.00 -1.60 0.18 0.00 0.00 0.00 0.00 46.02 44.61 3h72 n GLY 579 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h72 h PRO 580 N 0.00 0.00 -0.21 1.61 0.11 -1.99 -2.05 132.00 129.47 3h72 h PRO 580 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 3h72 h PRO 580 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3h72 h PRO 580 CO 0.00 0.00 -0.03 0.72 -0.21 0.00 0.00 178.00 178.48 3h72 n HIS 581 N -3.16 0.73 -1.61 0.65 8.25 -1.26 -5.04 115.22 113.77 3h72 n HIS 581 Ca -0.01 -1.07 -0.43 0.00 -0.26 0.00 0.00 57.72 55.95 3h72 n HIS 581 Cb 0.30 -0.31 -0.00 0.00 1.12 0.00 0.00 29.99 31.09 3h72 n HIS 581 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3h72 n LYS 582 N -0.87 1.45 0.00 -0.41 4.81 -0.77 -1.51 118.16 120.86 3h72 n LYS 582 Ca 0.22 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 58.18 3h72 n LYS 582 Cb 0.86 -1.98 0.00 0.00 0.02 0.00 0.00 35.03 33.93 3h72 n LYS 582 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h72 n GLY 583 N 1.16 2.81 3.73 3.14 0.00 0.02 -4.95 105.19 111.09 3h72 n GLY 583 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3h72 n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h72 s ARG 584 N -0.70 4.32 -0.17 1.61 3.52 -0.57 -4.69 118.95 122.27 3h72 s ARG 584 Ca 0.00 2.18 -0.17 0.00 -0.13 0.00 0.00 55.73 57.61 3h72 s ARG 584 Cb 0.00 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3h72 s ARG 584 CO 0.00 -0.38 0.42 0.42 -0.81 0.00 0.00 175.30 174.95 3h72 s ILE 585 N 0.33 5.20 -0.13 4.11 1.01 -0.56 -0.87 121.20 130.30 3h72 s ILE 585 Ca 0.60 0.78 -0.00 0.00 0.00 0.00 0.00 60.65 62.03 3h72 s ILE 585 Cb -0.39 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 3h72 s ILE 585 CO 0.38 0.29 -0.11 -0.76 0.00 0.00 0.00 174.94 174.74 3h72 s LEU 586 N 1.00 2.84 -0.20 2.97 1.43 0.43 -2.08 118.68 125.07 3h72 s LEU 586 Ca 0.21 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3h72 s LEU 586 Cb -0.15 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.47 3h72 s LEU 586 CO 0.08 0.19 -0.11 -0.63 0.23 0.00 0.00 176.35 176.11 3h72 s ILE 587 N 0.22 1.68 0.37 -0.59 -1.09 -0.51 -2.57 121.20 118.71 3h72 s ILE 587 Ca -0.07 -1.02 -0.27 0.00 -2.23 0.00 0.00 60.65 57.06 3h72 s ILE 587 Cb -0.15 -1.74 -0.09 0.00 -1.58 0.00 0.00 42.46 38.90 3h72 s ILE 587 CO 0.05 0.19 1.30 -2.84 -1.23 0.00 0.00 174.94 172.40 3h72 s PRO 588 N 1.38 4.14 0.27 2.79 0.02 -1.26 -1.52 135.00 140.81 3h72 s PRO 588 Ca -0.01 2.17 -0.09 0.00 0.02 0.00 0.00 61.00 63.09 3h72 s PRO 588 Cb -0.16 -2.89 -0.00 0.00 0.02 0.00 0.00 34.50 31.47 3h72 s PRO 588 CO -0.08 -0.36 0.46 0.14 -0.33 0.00 0.00 177.00 176.83 3h72 s VAL 589 N -1.22 0.00 0.08 3.83 -7.23 -0.24 -0.91 120.40 114.71 3h72 s VAL 589 Ca 0.53 -1.50 -0.17 0.00 -1.81 0.00 0.00 61.98 59.04 3h72 s VAL 589 Cb -0.38 -2.37 0.03 0.00 0.56 0.00 0.00 36.38 34.22 3h72 s VAL 589 CO 0.50 0.00 0.40 -0.72 -0.31 0.00 0.00 175.10 174.97 3h72 s TYR 590 N -3.71 -0.23 0.28 2.82 -0.85 0.40 -1.68 117.35 114.38 3h72 s TYR 590 Ca 0.26 0.05 0.03 0.00 -0.52 0.00 0.00 57.07 56.88 3h72 s TYR 590 Cb -0.00 0.23 -0.06 0.00 0.38 0.00 0.00 41.96 42.52 3h72 s TYR 590 CO 0.12 -0.63 0.06 0.95 -1.52 0.00 0.00 175.55 174.53 3h72 s THR 591 N -3.14 0.90 0.12 -3.49 -4.23 -0.58 -1.73 115.64 103.48 3h72 s THR 591 Ca -0.01 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.52 3h72 s THR 591 Cb 0.01 -2.65 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3h72 s THR 591 CO -0.07 -0.06 -0.08 0.42 -0.54 0.00 0.00 174.62 174.29 3h72 s THR 592 N -3.51 0.91 0.51 3.99 -4.23 -0.80 -1.32 115.64 111.19 3h72 s THR 592 Ca 0.36 -1.93 0.04 0.00 -1.18 0.00 0.00 61.69 58.98 3h72 s THR 592 Cb 0.08 -1.68 -0.00 0.00 1.34 0.00 0.00 72.50 72.23 3h72 s THR 592 CO 0.14 -0.77 0.18 0.54 -0.54 0.00 0.00 174.62 174.16 3h72 s ASN 593 N -2.98 4.36 0.00 3.99 2.20 -1.26 -1.48 114.94 119.76 3h72 s ASN 593 Ca 0.12 -1.41 0.29 0.00 -0.94 0.00 0.00 52.86 50.92 3h72 s ASN 593 Cb 0.03 0.32 1.22 0.00 -2.00 0.00 0.00 41.25 40.82 3h72 s ASN 593 CO -0.02 -0.90 1.89 0.59 -2.94 0.00 0.00 177.10 175.72 3h72 n ASN 594 N -1.45 0.15 -0.03 3.54 3.02 -1.26 -1.54 115.26 117.69 3h72 n ASN 594 Ca -0.10 0.03 -0.09 0.00 -0.03 0.00 0.00 54.58 54.40 3h72 n ASN 594 Cb 0.66 -0.27 -0.08 0.00 -0.61 0.00 0.00 39.78 39.48 3h72 n ASN 594 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3h72 h VAL 595 N 0.11 0.98 0.00 2.41 2.07 -1.89 -3.42 116.25 116.51 3h72 h VAL 595 Ca 0.00 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3h72 h VAL 595 Cb 0.42 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3h72 h VAL 595 CO 0.00 0.31 0.00 -1.54 0.02 0.00 0.00 177.57 176.36 3h72 n SER 596 N -4.76 0.54 0.00 0.57 3.41 -1.26 -5.06 113.62 107.07 3h72 n SER 596 Ca -0.06 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.69 3h72 n SER 596 Cb 0.27 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 3h72 n SER 596 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3h72 n HIS 597 N -0.15 0.00 0.85 7.33 -0.00 -0.59 -0.66 115.22 121.99 3h72 n HIS 597 Ca 0.00 0.00 0.11 0.00 0.46 0.00 0.00 57.72 58.29 3h72 n HIS 597 Cb 0.06 0.00 0.50 0.00 -0.12 0.00 0.00 29.99 30.43 3h72 n HIS 597 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3h72 n LEU 598 N 0.00 0.00 0.09 0.27 4.77 -1.26 -2.16 117.00 118.71 3h72 n LEU 598 Ca 0.00 0.43 -0.17 0.00 -0.03 0.00 0.00 56.01 56.24 3h72 n LEU 598 Cb 0.00 -0.43 -0.14 0.00 -2.33 0.00 0.00 43.42 40.51 3h72 n LEU 598 CO 0.00 -0.11 -0.22 0.78 -1.33 0.00 0.00 177.39 176.51 3h72 h ASN 599 N 0.00 0.45 0.00 -1.43 2.35 -1.32 -3.44 115.58 112.19 3h72 h ASN 599 Ca 0.00 -0.55 -0.10 0.00 -0.55 0.00 0.00 56.30 55.10 3h72 h ASN 599 Cb 0.33 -0.15 -0.14 0.00 0.05 0.00 0.00 38.32 38.41 3h72 h ASN 599 CO 0.00 1.44 -0.36 0.61 -1.65 0.00 0.00 177.43 177.47 3h72 n GLY 600 N 1.62 0.68 0.00 2.83 0.00 -1.16 -4.17 105.19 105.00 3h72 n GLY 600 Ca -0.13 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.75 3h72 n GLY 600 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h72 n SER 601 N 0.08 0.50 -4.68 1.61 3.41 -0.92 -1.15 113.62 112.47 3h72 n SER 601 Ca -0.15 -1.02 -0.46 0.00 -0.26 0.00 0.00 58.87 56.98 3h72 n SER 601 Cb 0.73 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.64 3h72 n SER 601 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h72 n GLN 602 N -0.01 2.41 -3.99 4.33 6.02 -1.25 -4.40 117.38 120.49 3h72 n GLN 602 Ca 0.00 0.88 -0.20 0.00 -0.01 0.00 0.00 57.00 57.67 3h72 n GLN 602 Cb 0.14 -2.75 -0.17 0.00 1.02 0.00 0.00 30.24 28.48 3h72 n GLN 602 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3h72 s SER 603 N 3.79 0.99 0.52 1.08 0.01 -0.44 -1.18 113.70 118.47 3h72 s SER 603 Ca 0.90 -0.09 -0.17 0.00 1.31 0.00 0.00 55.95 57.90 3h72 s SER 603 Cb -0.61 -0.38 -0.07 0.00 0.21 0.00 0.00 66.02 65.17 3h72 s SER 603 CO 0.47 -0.11 1.00 -0.44 0.41 0.00 0.00 173.24 174.58 3h72 s SER 604 N 1.24 6.43 0.05 2.44 0.01 -0.34 -1.52 113.70 122.00 3h72 s SER 604 Ca -0.06 1.69 -0.23 0.00 1.31 0.00 0.00 55.95 58.65 3h72 s SER 604 Cb -0.14 -2.52 0.08 0.00 0.21 0.00 0.00 66.02 63.65 3h72 s SER 604 CO -0.02 -0.72 1.05 -2.11 0.41 0.00 0.00 173.24 171.85 3h72 n ARG 605 N -1.50 0.31 -4.31 12.44 1.85 -0.67 -2.03 116.66 122.74 3h72 n ARG 605 Ca 0.07 -0.91 -0.16 0.00 -1.00 0.00 0.00 57.85 55.85 3h72 n ARG 605 Cb 0.54 1.36 -0.10 0.00 -1.05 0.00 0.00 32.46 33.21 3h72 n ARG 605 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 3h72 s ILE 606 N -2.06 1.29 0.16 8.89 -5.25 -1.26 -1.08 121.20 121.89 3h72 s ILE 606 Ca 0.24 -2.09 0.11 0.00 -0.99 0.00 0.00 60.65 57.92 3h72 s ILE 606 Cb -0.01 -2.07 -0.04 0.00 2.95 0.00 0.00 42.46 43.28 3h72 s ILE 606 CO 0.01 -0.57 -0.22 0.27 -1.79 0.00 0.00 174.94 172.65 3h72 s ILE 607 N -3.25 2.54 0.17 8.37 -4.36 -0.58 -1.17 121.20 122.92 3h72 s ILE 607 Ca 0.22 -1.83 -0.04 0.00 -0.26 0.00 0.00 60.65 58.74 3h72 s ILE 607 Cb 0.03 -2.20 -0.03 0.00 1.25 0.00 0.00 42.46 41.51 3h72 s ILE 607 CO 0.05 -0.03 0.17 -0.72 0.24 0.00 0.00 174.94 174.65 3h72 s TYR 608 N -1.45 0.78 -0.03 1.37 -0.85 0.12 -1.43 117.35 115.86 3h72 s TYR 608 Ca 0.19 -1.11 -0.01 0.00 -0.52 0.00 0.00 57.07 55.63 3h72 s TYR 608 Cb -0.09 -0.33 0.03 0.00 0.38 0.00 0.00 41.96 41.95 3h72 s TYR 608 CO 0.10 -0.65 0.05 0.45 -1.52 0.00 0.00 175.55 173.98 3h72 s SER 609 N -3.06 0.15 0.00 -0.18 0.15 -0.88 -0.55 113.70 109.33 3h72 s SER 609 Ca 0.26 0.08 0.18 0.00 0.70 0.00 0.00 55.95 57.17 3h72 s SER 609 Cb 0.06 -0.03 0.10 0.00 -1.71 0.00 0.00 66.02 64.43 3h72 s SER 609 CO 0.05 -0.15 1.01 0.47 1.20 0.00 0.00 173.24 175.82 3h72 n ASP 610 N 4.31 2.25 -2.22 5.45 8.00 -1.26 -1.49 116.55 131.59 3h72 n ASP 610 Ca -0.25 -1.63 -0.26 0.00 0.71 0.00 0.00 54.79 53.36 3h72 n ASP 610 Cb 0.50 0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.75 3h72 n ASP 610 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h72 n ASP 611 N 0.69 5.07 -3.58 -2.24 5.68 -1.26 -4.92 116.55 115.99 3h72 n ASP 611 Ca 0.09 -3.74 -0.25 0.00 -0.50 0.00 0.00 54.79 50.39 3h72 n ASP 611 Cb 0.42 -0.43 0.06 0.00 -1.14 0.00 0.00 41.12 40.03 3h72 n ASP 611 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3h72 n HIS 612 N -0.64 -2.60 -0.78 2.11 8.25 -1.26 -2.83 115.22 117.47 3h72 n HIS 612 Ca 0.44 0.91 0.00 0.00 -0.26 0.00 0.00 57.72 58.80 3h72 n HIS 612 Cb 0.83 -4.67 0.00 0.00 1.12 0.00 0.00 29.99 27.27 3h72 n HIS 612 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h72 n GLY 613 N -1.85 0.77 0.08 -1.41 0.00 -1.26 -4.94 105.19 96.57 3h72 n GLY 613 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 3h72 n GLY 613 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3h72 h LYS 614 N 2.67 0.10 -5.93 1.61 3.64 -1.93 -3.45 116.57 113.26 3h72 h LYS 614 Ca 0.00 -0.06 -0.52 0.00 -1.27 0.00 0.00 60.65 58.81 3h72 h LYS 614 Cb 0.00 0.01 -0.21 0.00 -0.41 0.00 0.00 32.23 31.61 3h72 h LYS 614 CO 0.00 0.62 -0.81 0.95 -2.27 0.00 0.00 179.45 177.94 3h72 s THR 615 N -4.03 1.56 0.14 1.00 -4.23 -1.26 -5.12 115.64 103.71 3h72 s THR 615 Ca -0.16 -1.52 0.10 0.00 -1.18 0.00 0.00 61.69 58.94 3h72 s THR 615 Cb 0.02 -1.46 -0.04 0.00 1.34 0.00 0.00 72.50 72.36 3h72 s THR 615 CO 0.70 -0.13 -0.24 0.26 -0.54 0.00 0.00 174.62 174.67 3h72 s TRP 616 N -1.28 2.12 0.02 3.99 0.52 -1.26 -4.38 118.94 118.67 3h72 s TRP 616 Ca 0.05 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.78 3h72 s TRP 616 Cb -0.10 -1.11 -0.02 0.00 -1.15 0.00 0.00 33.47 31.09 3h72 s TRP 616 CO 0.04 0.34 -0.05 -1.01 0.02 0.00 0.00 176.95 176.30 3h72 s HIS 617 N -1.35 0.39 -0.04 -1.98 3.76 0.28 -4.53 115.29 111.82 3h72 s HIS 617 Ca 0.14 -0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 54.45 3h72 s HIS 617 Cb -0.09 -0.25 -0.05 0.00 1.11 0.00 0.00 32.58 33.29 3h72 s HIS 617 CO 0.07 -0.12 0.45 0.00 -0.85 0.00 0.00 174.74 174.29 3h72 s ALA 618 N -1.19 3.59 0.74 -1.40 0.00 -1.26 0.11 121.76 122.36 3h72 s ALA 618 Ca -0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 3h72 s ALA 618 Cb -0.08 -2.52 0.12 0.00 0.00 0.00 0.00 23.12 20.63 3h72 s ALA 618 CO -0.00 0.28 0.79 0.41 0.00 0.00 0.00 175.76 177.23 3h72 n GLY 619 N 2.40 0.12 3.90 0.00 0.00 -0.32 -4.95 105.19 106.34 3h72 n GLY 619 Ca -0.11 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.70 3h72 n GLY 619 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h72 s GLU 620 N -4.57 3.64 0.45 1.61 2.02 0.13 -4.76 118.70 117.23 3h72 s GLU 620 Ca 0.50 0.14 -0.22 0.00 0.02 0.00 0.00 54.97 55.41 3h72 s GLU 620 Cb -0.02 -2.52 -0.08 0.00 0.10 0.00 0.00 34.13 31.60 3h72 s GLU 620 CO 0.34 0.05 1.05 0.00 0.02 0.00 0.00 175.26 176.72 3h72 s ALA 621 N -2.32 2.95 0.42 5.21 0.00 -1.26 -4.61 121.76 122.15 3h72 s ALA 621 Ca 0.46 0.67 0.09 0.00 0.00 0.00 0.00 51.96 53.19 3h72 s ALA 621 Cb -0.10 -3.27 0.92 0.00 0.00 0.00 0.00 23.12 20.67 3h72 s ALA 621 CO 0.34 -0.32 2.05 0.28 0.00 0.00 0.00 175.76 178.11 3h72 h VAL 622 N 1.80 1.05 0.00 0.00 2.07 -1.77 -1.66 116.25 117.74 3h72 h VAL 622 Ca -0.49 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3h72 h VAL 622 Cb 1.22 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.51 3h72 h VAL 622 CO 0.60 0.09 0.00 0.59 0.02 0.00 0.00 177.57 178.87 3h72 n ASN 623 N -4.48 0.00 -4.65 0.57 5.03 -1.26 -4.60 115.26 105.87 3h72 n ASN 623 Ca 0.04 0.26 -0.43 0.00 0.87 0.00 0.00 54.58 55.32 3h72 n ASN 623 Cb 0.14 -0.42 -0.02 0.00 -1.02 0.00 0.00 39.78 38.45 3h72 n ASN 623 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3h72 s ASP 624 N -2.83 6.63 -1.30 6.41 1.01 -0.63 -2.19 116.67 123.77 3h72 s ASP 624 Ca 0.19 1.80 0.00 0.00 0.71 0.00 0.00 52.55 55.25 3h72 s ASP 624 Cb 0.19 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.58 3h72 s ASP 624 CO 0.49 -1.02 0.00 -3.20 0.21 0.00 0.00 175.17 171.65 3h72 n ASN 625 N 7.52 -4.41 -4.76 0.27 5.15 -0.01 -4.96 115.26 114.06 3h72 n ASN 625 Ca 0.17 0.19 -0.39 0.00 -0.60 0.00 0.00 54.58 53.94 3h72 n ASN 625 Cb 0.44 -3.30 -0.05 0.00 -0.53 0.00 0.00 39.78 36.34 3h72 n ASN 625 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3h72 s ARG 626 N -3.77 4.72 -0.35 1.20 3.52 -0.93 -4.75 118.95 118.59 3h72 s ARG 626 Ca 0.00 1.55 -0.23 0.00 -0.13 0.00 0.00 55.73 56.92 3h72 s ARG 626 Cb 0.00 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 30.25 3h72 s ARG 626 CO 0.00 0.36 0.78 -0.65 -0.81 0.00 0.00 175.30 174.98 3h72 s GLN 627 N -1.46 3.80 -0.28 5.12 -1.52 -1.26 -1.04 119.66 123.02 3h72 s GLN 627 Ca 0.44 0.36 0.01 0.00 -1.95 0.00 0.00 55.36 54.23 3h72 s GLN 627 Cb -0.26 -3.79 0.08 0.00 -0.22 0.00 0.00 33.01 28.82 3h72 s GLN 627 CO 0.33 -0.80 0.01 0.08 -0.25 0.00 0.00 175.29 174.66 3h72 s VAL 628 N 3.05 1.55 -0.95 1.09 1.01 0.19 -4.79 120.40 121.55 3h72 s VAL 628 Ca 0.31 -1.56 -0.01 0.00 0.00 0.00 0.00 61.98 60.72 3h72 s VAL 628 Cb -0.13 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 3h72 s VAL 628 CO 0.16 -0.39 0.80 0.47 0.00 0.00 0.00 175.10 176.14 3h72 n ASP 629 N 4.61 -2.67 -0.50 3.32 8.00 -1.26 -2.58 116.55 125.47 3h72 n ASP 629 Ca -0.05 -0.51 -0.06 0.00 0.71 0.00 0.00 54.79 54.87 3h72 n ASP 629 Cb 0.43 -4.25 -0.03 0.00 -0.02 0.00 0.00 41.12 37.25 3h72 n ASP 629 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h72 n GLY 630 N -1.14 0.72 2.98 0.44 0.00 -1.26 -4.97 105.19 101.97 3h72 n GLY 630 Ca -0.20 -0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.53 3h72 n GLY 630 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h72 s GLN 631 N -2.27 0.72 0.19 1.61 -0.21 -1.07 -5.13 119.66 113.51 3h72 s GLN 631 Ca 0.00 -0.25 -0.27 0.00 0.02 0.00 0.00 55.36 54.86 3h72 s GLN 631 Cb 0.00 -0.70 -0.08 0.00 1.00 0.00 0.00 33.01 33.23 3h72 s GLN 631 CO 0.00 0.12 0.84 0.15 -2.12 0.00 0.00 175.29 174.27 3h72 s LYS 632 N 0.06 4.67 0.42 2.91 -0.14 -1.26 0.55 119.74 126.95 3h72 s LYS 632 Ca -0.01 1.28 0.04 0.00 -1.36 0.00 0.00 55.97 55.92 3h72 s LYS 632 Cb -0.06 -3.27 -0.04 0.00 -1.68 0.00 0.00 37.83 32.78 3h72 s LYS 632 CO -0.00 0.55 0.05 0.96 -0.76 0.00 0.00 175.35 176.15 3h72 s ILE 633 N -1.16 1.21 -0.03 2.17 -4.36 -0.20 -4.92 121.20 113.90 3h72 s ILE 633 Ca 0.38 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.71 3h72 s ILE 633 Cb -0.24 -2.54 0.01 0.00 1.25 0.00 0.00 42.46 40.94 3h72 s ILE 633 CO 0.28 0.00 0.14 -2.28 0.24 0.00 0.00 174.94 173.33 3h72 s HIS 634 N -3.02 -0.07 0.59 1.37 2.46 -1.25 -0.83 115.29 114.54 3h72 s HIS 634 Ca 0.24 0.15 0.29 0.00 0.47 0.00 0.00 55.06 56.21 3h72 s HIS 634 Cb 0.05 0.00 1.75 0.00 -0.13 0.00 0.00 32.58 34.26 3h72 s HIS 634 CO 0.12 -0.17 2.18 0.66 -2.47 0.00 0.00 174.74 175.06 3h72 h SER 635 N 5.16 0.00 1.17 9.88 4.64 -1.94 0.15 113.55 132.61 3h72 h SER 635 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3h72 h SER 635 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3h72 h SER 635 CO 0.41 0.00 -0.20 -1.54 -0.87 0.00 0.00 176.83 174.63 3h72 n SER 636 N -3.81 0.64 0.00 4.97 3.41 -1.26 -4.26 113.62 113.30 3h72 n SER 636 Ca -0.01 0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 3h72 n SER 636 Cb 0.19 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3h72 n SER 636 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h72 n THR 637 N -2.05 0.00 -1.57 6.66 -2.24 -0.74 -4.64 114.28 109.70 3h72 n THR 637 Ca 0.05 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 3h72 n THR 637 Cb 0.41 1.14 0.08 0.00 -2.10 0.00 0.00 70.33 69.86 3h72 n THR 637 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h72 s MET 638 N -0.35 2.34 -0.45 -0.78 0.00 -0.03 -4.90 119.30 115.13 3h72 s MET 638 Ca 0.00 1.80 0.06 0.00 0.00 0.00 0.00 55.69 57.55 3h72 s MET 638 Cb 0.00 -1.85 0.21 0.00 0.00 0.00 0.00 34.83 33.19 3h72 s MET 638 CO 0.00 -1.69 0.61 -1.71 0.00 0.00 0.00 175.02 172.23 3h72 n ASN 639 N -2.43 -1.64 -3.42 -1.18 2.85 -1.21 -4.26 115.26 103.96 3h72 n ASN 639 Ca 0.14 -2.81 -0.17 0.00 -0.11 0.00 0.00 54.58 51.63 3h72 n ASN 639 Cb 0.50 0.57 -0.11 0.00 1.24 0.00 0.00 39.78 41.99 3h72 n ASN 639 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3h72 s ASN 640 N -0.47 1.46 0.16 1.20 3.84 -0.30 -4.96 114.94 115.86 3h72 s ASN 640 Ca 0.33 -0.49 -0.18 0.00 0.21 0.00 0.00 52.86 52.73 3h72 s ASN 640 Cb 0.11 0.52 0.06 0.00 -0.55 0.00 0.00 41.25 41.39 3h72 s ASN 640 CO -0.15 -0.36 1.68 -0.09 -2.79 0.00 0.00 177.10 175.38 3h72 h ARG 641 N 8.27 0.00 0.00 0.43 2.43 -1.77 -2.54 114.38 121.20 3h72 h ARG 641 Ca -0.15 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3h72 h ARG 641 Cb 1.11 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.66 3h72 h ARG 641 CO 0.31 0.00 -0.02 0.00 -1.51 0.00 0.00 179.97 178.75 3h72 h ARG 642 N 0.00 0.00 -0.05 0.20 3.08 -1.92 -2.80 114.38 112.89 3h72 h ARG 642 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 3h72 h ARG 642 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3h72 h ARG 642 CO -0.36 0.02 0.00 0.00 -1.07 0.00 0.00 179.97 178.56 3h72 n ALA 643 N -2.10 2.57 -1.54 0.04 0.00 -0.97 -4.70 120.51 113.81 3h72 n ALA 643 Ca 0.01 -0.42 -0.32 0.00 0.00 0.00 0.00 53.44 52.70 3h72 n ALA 643 Cb 0.33 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.63 3h72 n ALA 643 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3h72 s GLN 644 N -1.94 2.93 -0.13 0.00 -0.21 -1.06 -4.97 119.66 114.28 3h72 s GLN 644 Ca 0.37 1.21 -0.07 0.00 0.02 0.00 0.00 55.36 56.89 3h72 s GLN 644 Cb 0.20 -1.98 0.05 0.00 1.00 0.00 0.00 33.01 32.28 3h72 s GLN 644 CO 0.31 -1.12 0.32 0.54 -2.12 0.00 0.00 175.29 173.22 3h72 s ASN 645 N -2.99 -0.38 0.00 5.90 2.20 -0.33 -4.56 114.94 114.79 3h72 s ASN 645 Ca 0.63 0.69 0.00 0.00 -0.94 0.00 0.00 52.86 53.24 3h72 s ASN 645 Cb -0.17 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.65 3h72 s ASN 645 CO 0.44 -0.18 0.00 0.35 -2.94 0.00 0.00 177.10 174.78 3h72 n THR 646 N 4.24 0.00 -1.78 0.54 -2.24 -0.20 -1.19 114.28 113.65 3h72 n THR 646 Ca -0.24 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.16 3h72 n THR 646 Cb 0.54 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 68.82 3h72 n THR 646 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h72 s GLU 647 N 2.47 2.99 0.20 -0.78 2.02 -1.26 -4.34 118.70 119.99 3h72 s GLU 647 Ca 0.00 2.18 -0.10 0.00 0.02 0.00 0.00 54.97 57.07 3h72 s GLU 647 Cb 0.00 -2.15 -0.01 0.00 0.10 0.00 0.00 34.13 32.08 3h72 s GLU 647 CO 0.00 -1.29 0.36 -1.54 0.02 0.00 0.00 175.26 172.81 3h72 s SER 648 N -1.08 -0.02 -0.02 -0.19 1.04 -1.26 -0.44 113.70 111.73 3h72 s SER 648 Ca 0.74 -0.90 0.05 0.00 0.48 0.00 0.00 55.95 56.32 3h72 s SER 648 Cb -0.39 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 66.21 3h72 s SER 648 CO 0.45 -0.99 -0.17 0.28 0.98 0.00 0.00 173.24 173.80 3h72 s THR 649 N -4.00 1.32 -0.04 2.02 -1.32 -0.30 -4.70 115.64 108.62 3h72 s THR 649 Ca 0.20 -0.71 0.04 0.00 -1.21 0.00 0.00 61.69 60.02 3h72 s THR 649 Cb 0.02 -1.10 -0.03 0.00 -1.51 0.00 0.00 72.50 69.88 3h72 s THR 649 CO 0.04 0.37 -0.16 0.54 -2.21 0.00 0.00 174.62 173.20 3h72 s VAL 650 N -0.34 2.92 -0.00 5.08 0.11 -1.26 -1.04 120.40 125.86 3h72 s VAL 650 Ca 0.05 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 3h72 s VAL 650 Cb -0.07 -2.13 0.00 0.00 -1.53 0.00 0.00 36.38 32.65 3h72 s VAL 650 CO -0.00 0.58 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.65 3h72 s VAL 651 N -0.72 0.09 -0.11 2.04 1.01 -0.52 -4.76 120.40 117.42 3h72 s VAL 651 Ca 0.11 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.02 3h72 s VAL 651 Cb -0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 3h72 s VAL 651 CO 0.00 0.03 0.03 -1.58 0.00 0.00 0.00 175.10 173.58 3h72 s GLN 652 N 0.05 3.24 0.50 2.72 0.74 -1.26 0.19 119.66 125.84 3h72 s GLN 652 Ca -0.00 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.05 3h72 s GLN 652 Cb -0.01 -2.92 0.01 0.00 1.10 0.00 0.00 33.01 31.19 3h72 s GLN 652 CO -0.00 0.62 0.72 -0.51 -0.55 0.00 0.00 175.29 175.57 3h72 s LEU 653 N -0.64 3.46 0.53 3.68 1.43 0.60 -4.88 118.68 122.86 3h72 s LEU 653 Ca 0.11 0.15 0.35 0.00 -1.03 0.00 0.00 54.13 53.71 3h72 s LEU 653 Cb -0.12 -3.03 1.62 0.00 0.03 0.00 0.00 46.19 44.69 3h72 s LEU 653 CO 0.02 -0.92 2.04 0.78 0.23 0.00 0.00 176.35 178.50 3h72 h ASN 654 N 0.23 0.00 -0.11 2.29 2.35 -1.95 -1.49 115.58 116.90 3h72 h ASN 654 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 3h72 h ASN 654 Cb 1.27 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.64 3h72 h ASN 654 CO 0.55 0.00 0.00 -0.46 -1.65 0.00 0.00 177.43 175.87 3h72 n ASN 655 N -2.91 0.99 0.00 5.81 2.04 -1.26 -4.90 115.26 115.03 3h72 n ASN 655 Ca -0.00 -1.65 0.00 0.00 -0.44 0.00 0.00 54.58 52.49 3h72 n ASN 655 Cb 0.21 -0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.38 3h72 n ASN 655 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3h72 n GLY 656 N 0.96 3.34 3.76 4.83 0.00 -0.56 -5.03 105.19 112.49 3h72 n GLY 656 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3h72 n GLY 656 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h72 s ASP 657 N -0.93 5.06 -0.12 1.61 1.01 -1.26 -4.71 116.67 117.33 3h72 s ASP 657 Ca 0.00 2.19 -0.00 0.00 0.71 0.00 0.00 52.55 55.45 3h72 s ASP 657 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3h72 s ASP 657 CO 0.00 -1.67 -0.11 -0.69 0.21 0.00 0.00 175.17 172.91 3h72 s VAL 658 N -2.00 3.27 -0.09 -1.27 1.01 -0.60 -0.29 120.40 120.43 3h72 s VAL 658 Ca 0.72 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 62.10 3h72 s VAL 658 Cb -0.25 -2.37 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3h72 s VAL 658 CO 0.38 0.54 -0.06 -0.54 0.00 0.00 0.00 175.10 175.41 3h72 s LYS 659 N 0.09 3.02 -0.25 2.72 -0.14 0.13 -1.00 119.74 124.30 3h72 s LYS 659 Ca -0.04 -0.55 0.03 0.00 -1.36 0.00 0.00 55.97 54.05 3h72 s LYS 659 Cb -0.14 -2.68 0.06 0.00 -1.68 0.00 0.00 37.83 33.39 3h72 s LYS 659 CO 0.04 0.53 -0.11 -1.17 -0.76 0.00 0.00 175.35 173.88 3h72 s LEU 660 N -0.45 3.20 -0.34 3.17 2.96 -0.12 -1.44 118.68 125.66 3h72 s LEU 660 Ca 0.07 -1.29 -0.20 0.00 -0.22 0.00 0.00 54.13 52.49 3h72 s LEU 660 Cb -0.12 -1.50 -0.00 0.00 0.50 0.00 0.00 46.19 45.07 3h72 s LEU 660 CO 0.02 -0.18 0.61 -0.36 -1.32 0.00 0.00 176.35 175.12 3h72 s PHE 661 N 1.16 3.18 -0.11 5.38 0.40 -0.20 -1.19 117.98 126.58 3h72 s PHE 661 Ca -0.07 0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.65 3h72 s PHE 661 Cb -0.19 -3.04 -0.02 0.00 0.51 0.00 0.00 43.02 40.28 3h72 s PHE 661 CO -0.06 -0.56 -0.11 -1.64 0.70 0.00 0.00 175.22 173.56 3h72 s MET 662 N 2.61 3.20 0.20 0.44 -1.94 -0.45 -1.15 119.30 122.21 3h72 s MET 662 Ca 0.23 -0.64 -0.31 0.00 -1.71 0.00 0.00 55.69 53.27 3h72 s MET 662 Cb -0.15 -2.63 -0.10 0.00 2.01 0.00 0.00 34.83 33.97 3h72 s MET 662 CO 0.13 0.35 1.47 0.50 -0.01 0.00 0.00 175.02 177.46 3h72 s ARG 663 N 0.02 4.26 0.00 2.03 3.52 0.41 -4.16 118.95 125.03 3h72 s ARG 663 Ca -0.03 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.85 3h72 s ARG 663 Cb -0.14 -3.15 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 3h72 s ARG 663 CO 0.04 -0.48 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 3h72 n GLY 664 N 2.92 3.01 0.75 8.12 0.00 -1.26 -1.04 105.19 117.70 3h72 n GLY 664 Ca 0.10 -1.27 0.03 0.00 0.00 0.00 0.00 46.02 44.88 3h72 n GLY 664 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h72 n LEU 665 N 0.00 3.29 -0.00 0.99 4.77 -1.26 -4.13 117.00 120.65 3h72 n LEU 665 Ca 0.00 -3.63 0.11 0.00 -0.03 0.00 0.00 56.01 52.47 3h72 n LEU 665 Cb 0.00 -0.55 0.09 0.00 -2.33 0.00 0.00 43.42 40.63 3h72 n LEU 665 CO 0.00 1.16 0.24 0.35 -1.33 0.00 0.00 177.39 177.80 3h72 n THR 666 N -1.11 0.00 -0.03 -5.08 -2.24 -1.26 -4.94 114.28 99.62 3h72 n THR 666 Ca 0.24 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 3h72 n THR 666 Cb 0.83 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.64 3h72 n THR 666 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h72 n GLY 667 N 1.50 1.35 3.25 3.38 0.00 -1.25 -5.01 105.19 108.40 3h72 n GLY 667 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 3h72 n GLY 667 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h72 s ASP 668 N -2.94 0.89 0.04 1.61 1.47 -1.26 -1.71 116.67 114.78 3h72 s ASP 668 Ca 0.00 -1.56 -0.30 0.00 1.18 0.00 0.00 52.55 51.87 3h72 s ASP 668 Cb 0.00 0.45 -0.07 0.00 -0.34 0.00 0.00 42.92 42.96 3h72 s ASP 668 CO 0.00 -0.94 1.54 -0.22 0.68 0.00 0.00 175.17 176.24 3h72 s LEU 669 N -3.27 4.34 -0.15 2.11 2.96 -0.05 -4.54 118.68 120.08 3h72 s LEU 669 Ca 0.40 2.33 -0.03 0.00 -0.22 0.00 0.00 54.13 56.61 3h72 s LEU 669 Cb 0.05 -3.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.16 3h72 s LEU 669 CO 0.19 -0.81 -0.07 -1.10 -1.32 0.00 0.00 176.35 173.24 3h72 s GLN 670 N 2.52 3.55 -0.05 1.98 -0.21 -1.26 -0.60 119.66 125.59 3h72 s GLN 670 Ca 0.70 -0.58 0.02 0.00 0.02 0.00 0.00 55.36 55.51 3h72 s GLN 670 Cb -0.36 -2.84 0.01 0.00 1.00 0.00 0.00 33.01 30.82 3h72 s GLN 670 CO 0.30 0.19 -0.10 0.08 -2.12 0.00 0.00 175.29 173.63 3h72 s VAL 671 N 0.47 0.95 0.19 1.09 1.01 0.48 -1.34 120.40 123.26 3h72 s VAL 671 Ca -0.05 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.60 3h72 s VAL 671 Cb -0.15 -0.88 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 3h72 s VAL 671 CO 0.03 0.31 0.07 0.00 0.00 0.00 0.00 175.10 175.51 3h72 s ALA 672 N 0.55 3.37 -0.04 5.51 0.00 -0.33 -1.36 121.76 129.46 3h72 s ALA 672 Ca -0.11 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 50.53 3h72 s ALA 672 Cb -0.14 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.86 3h72 s ALA 672 CO 0.02 0.43 -0.13 0.99 0.00 0.00 0.00 175.76 177.07 3h72 s THR 673 N -1.87 1.14 -0.09 0.00 2.01 -1.26 -0.94 115.64 114.63 3h72 s THR 673 Ca 0.30 -0.53 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3h72 s THR 673 Cb -0.09 -1.01 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 3h72 s THR 673 CO 0.21 0.34 -0.21 -0.55 -0.69 0.00 0.00 174.62 173.73 3h72 s SER 674 N 0.27 3.42 0.00 3.53 0.15 -0.17 -0.25 113.70 120.64 3h72 s SER 674 Ca -0.07 -0.45 0.23 0.00 0.70 0.00 0.00 55.95 56.36 3h72 s SER 674 Cb -0.12 -1.22 0.17 0.00 -1.71 0.00 0.00 66.02 63.14 3h72 s SER 674 CO 0.02 0.21 1.21 0.29 1.20 0.00 0.00 173.24 176.17 3h72 n LYS 675 N 3.21 2.12 -2.31 5.44 4.76 -1.26 -1.56 118.16 128.56 3h72 n LYS 675 Ca -0.18 -1.80 -0.18 0.00 -2.87 0.00 0.00 58.31 53.29 3h72 n LYS 675 Cb 0.52 -1.44 0.03 0.00 -1.84 0.00 0.00 35.03 32.30 3h72 n LYS 675 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 3h72 n ASP 676 N 1.18 3.90 -0.62 4.39 5.68 -1.26 -4.94 116.55 124.87 3h72 n ASP 676 Ca 0.13 -3.27 -0.07 0.00 -0.50 0.00 0.00 54.79 51.08 3h72 n ASP 676 Cb 0.56 -0.40 -0.02 0.00 -1.14 0.00 0.00 41.12 40.12 3h72 n ASP 676 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h72 n GLY 677 N -0.62 0.64 0.76 6.12 0.00 -1.26 -3.62 105.19 107.21 3h72 n GLY 677 Ca 0.32 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3h72 n GLY 677 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h72 n GLY 678 N -1.76 0.63 0.08 -0.02 0.00 -1.26 -4.98 105.19 97.88 3h72 n GLY 678 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.80 3h72 n GLY 678 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h72 h VAL 679 N 0.00 1.56 -2.53 1.61 2.07 -1.92 -3.41 116.25 113.64 3h72 h VAL 679 Ca 0.00 -1.85 -0.53 0.00 0.82 0.00 0.00 66.70 65.14 3h72 h VAL 679 Cb 0.00 2.76 -0.14 0.00 -1.52 0.00 0.00 31.29 32.38 3h72 h VAL 679 CO 0.00 0.50 -0.73 0.42 0.02 0.00 0.00 177.57 177.78 3h72 s THR 680 N -3.19 2.03 -0.03 2.57 -4.23 -1.26 0.22 115.64 111.75 3h72 s THR 680 Ca -0.16 -2.27 0.06 0.00 -1.18 0.00 0.00 61.69 58.13 3h72 s THR 680 Cb 0.00 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.59 3h72 s THR 680 CO 0.72 -0.45 -0.21 0.26 -0.54 0.00 0.00 174.62 174.40 3h72 s TRP 681 N -2.78 1.94 0.95 3.99 0.52 -1.26 -4.23 118.94 118.07 3h72 s TRP 681 Ca 0.27 -0.45 -0.11 0.00 0.02 0.00 0.00 56.10 55.83 3h72 s TRP 681 Cb -0.01 -1.27 0.16 0.00 -1.15 0.00 0.00 33.47 31.20 3h72 s TRP 681 CO 0.11 -0.10 1.11 -1.21 0.02 0.00 0.00 176.95 176.89 3h72 s GLU 682 N -0.31 0.79 0.40 4.98 0.41 0.65 -4.94 118.70 120.68 3h72 s GLU 682 Ca 0.03 1.32 0.20 0.00 -0.41 0.00 0.00 54.97 56.11 3h72 s GLU 682 Cb -0.10 -1.72 0.83 0.00 -1.78 0.00 0.00 34.13 31.37 3h72 s GLU 682 CO 0.01 -2.71 1.81 1.57 -0.49 0.00 0.00 175.26 175.44 3h72 h LYS 683 N -1.92 0.00 -5.91 1.61 2.10 -1.97 -3.42 116.57 107.06 3h72 h LYS 683 Ca -0.47 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.58 3h72 h LYS 683 Cb 1.28 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.49 3h72 h LYS 683 CO 0.45 0.32 1.06 0.34 -2.00 0.00 0.00 179.45 179.62 3h72 s ASP 684 N -6.44 6.34 -0.53 7.07 2.15 -1.26 -4.92 116.67 119.08 3h72 s ASP 684 Ca -0.01 -1.10 -0.25 0.00 0.43 0.00 0.00 52.55 51.62 3h72 s ASP 684 Cb 0.12 -2.51 0.04 0.00 -0.30 0.00 0.00 42.92 40.26 3h72 s ASP 684 CO 0.67 -1.55 0.95 -0.63 -0.17 0.00 0.00 175.17 174.45 3h72 s ILE 685 N 4.73 4.39 0.18 4.11 1.09 -1.26 -4.63 121.20 129.81 3h72 s ILE 685 Ca 0.36 0.44 -0.29 0.00 -1.10 0.00 0.00 60.65 60.06 3h72 s ILE 685 Cb -0.07 -4.52 -0.08 0.00 -1.06 0.00 0.00 42.46 36.73 3h72 s ILE 685 CO 0.03 -1.05 0.91 -0.75 -0.10 0.00 0.00 174.94 173.98 3h72 s LYS 686 N 3.95 4.75 -0.08 2.79 2.47 -0.46 -4.85 119.74 128.32 3h72 s LYS 686 Ca 0.33 1.41 0.03 0.00 -1.56 0.00 0.00 55.97 56.18 3h72 s LYS 686 Cb -0.12 -3.31 -0.02 0.00 -1.46 0.00 0.00 37.83 32.93 3h72 s LYS 686 CO 0.22 0.43 -0.16 1.03 0.16 0.00 0.00 175.35 177.03 3h72 s ARG 687 N -0.78 2.80 -0.34 4.03 0.52 -1.26 -0.39 118.95 123.54 3h72 s ARG 687 Ca 0.42 -0.73 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 3h72 s ARG 687 Cb -0.25 -2.43 0.10 0.00 0.52 0.00 0.00 34.95 32.90 3h72 s ARG 687 CO 0.30 0.45 0.06 0.71 0.02 0.00 0.00 175.30 176.83 3h72 s TYR 688 N -0.28 3.71 0.58 -0.53 2.02 0.23 -4.96 117.35 118.13 3h72 s TYR 688 Ca 0.02 -2.89 0.43 0.00 -0.37 0.00 0.00 57.07 54.26 3h72 s TYR 688 Cb -0.13 -2.89 2.28 0.00 -0.40 0.00 0.00 41.96 40.83 3h72 s TYR 688 CO 0.03 -0.95 2.32 -1.35 -1.57 0.00 0.00 175.55 174.03 3h72 h PRO 689 N 7.67 0.00 0.00 -1.71 0.11 -1.96 -1.76 132.00 134.35 3h72 h PRO 689 Ca -0.06 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 3h72 h PRO 689 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3h72 h PRO 689 CO 0.54 0.00 -0.17 1.96 -0.21 0.00 0.00 178.00 180.11 3h72 h GLN 690 N 0.00 0.00 -4.82 1.05 7.50 -1.97 -3.39 115.11 113.48 3h72 h GLN 690 Ca 0.00 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 58.47 3h72 h GLN 690 Cb 0.07 0.00 -0.35 0.00 0.05 0.00 0.00 27.48 27.25 3h72 h GLN 690 CO 0.00 0.17 -0.75 0.08 -1.50 0.00 0.00 178.83 176.83 3h72 s VAL 691 N -4.28 2.54 0.52 -0.54 1.01 -0.66 -5.08 120.40 113.91 3h72 s VAL 691 Ca -0.03 -1.53 -0.20 0.00 0.00 0.00 0.00 61.98 60.23 3h72 s VAL 691 Cb 0.14 -2.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.97 3h72 s VAL 691 CO 0.63 -0.07 1.08 -0.75 0.00 0.00 0.00 175.10 176.00 3h72 s LYS 692 N 1.17 3.56 -0.20 2.72 2.20 -1.26 -0.87 119.74 127.05 3h72 s LYS 692 Ca -0.07 1.48 -0.03 0.00 -0.36 0.00 0.00 55.97 56.99 3h72 s LYS 692 Cb -0.20 -2.05 0.06 0.00 -1.51 0.00 0.00 37.83 34.14 3h72 s LYS 692 CO -0.03 -0.65 0.05 0.34 -0.36 0.00 0.00 175.35 174.69 3h72 s ASP 693 N -1.91 2.95 -0.05 1.43 2.15 -0.70 -4.66 116.67 115.88 3h72 s ASP 693 Ca 0.70 -0.87 0.07 0.00 0.43 0.00 0.00 52.55 52.87 3h72 s ASP 693 Cb -0.20 -0.56 0.28 0.00 -0.30 0.00 0.00 42.92 42.14 3h72 s ASP 693 CO 0.24 -0.32 1.08 1.33 -0.17 0.00 0.00 175.17 177.32 3h72 n VAL 694 N 5.07 0.75 -1.92 1.11 0.24 -1.26 -3.96 118.33 118.35 3h72 n VAL 694 Ca -0.08 -0.46 -0.01 0.00 -2.04 0.00 0.00 64.34 61.75 3h72 n VAL 694 Cb 0.47 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 3h72 n VAL 694 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h72 n TYR 695 N 0.28 -0.76 -3.59 6.34 9.36 -1.26 -4.94 117.16 122.59 3h72 n TYR 695 Ca 0.10 0.29 -0.12 0.00 3.32 0.00 0.00 57.90 61.49 3h72 n TYR 695 Cb 0.44 -2.34 -0.05 0.00 -0.63 0.00 0.00 39.34 36.77 3h72 n TYR 695 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3h72 s VAL 696 N -3.02 0.05 0.81 2.97 0.11 -1.26 -5.01 120.40 115.04 3h72 s VAL 696 Ca 0.02 -0.39 -0.14 0.00 -2.93 0.00 0.00 61.98 58.55 3h72 s VAL 696 Cb -0.00 -1.06 0.07 0.00 -1.53 0.00 0.00 36.38 33.85 3h72 s VAL 696 CO 0.20 -0.22 1.12 1.67 -3.33 0.00 0.00 175.10 174.54 3h72 n GLN 697 N 0.01 0.18 -4.06 1.54 0.00 -1.26 -4.76 117.38 109.02 3h72 n GLN 697 Ca -0.17 0.13 -0.10 0.00 -0.00 0.00 0.00 57.00 56.86 3h72 n GLN 697 Cb 0.63 -2.37 -0.08 0.00 0.00 0.00 0.00 30.24 28.42 3h72 n GLN 697 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3h72 s MET 698 N -3.98 1.26 0.03 3.69 0.23 -1.26 -4.60 119.30 114.68 3h72 s MET 698 Ca 0.72 -1.35 0.01 0.00 -1.03 0.00 0.00 55.69 54.04 3h72 s MET 698 Cb -0.29 0.36 -0.02 0.00 -1.53 0.00 0.00 34.83 33.34 3h72 s MET 698 CO 0.52 -0.46 -0.05 -1.54 -2.03 0.00 0.00 175.02 171.46 3h72 s SER 699 N -3.05 0.51 -0.05 -1.18 1.04 -1.06 -4.54 113.70 105.37 3h72 s SER 699 Ca 0.26 -0.57 -0.12 0.00 0.48 0.00 0.00 55.95 56.00 3h72 s SER 699 Cb 0.04 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.26 3h72 s SER 699 CO 0.06 -0.29 0.29 0.00 0.98 0.00 0.00 173.24 174.28 3h72 s ALA 700 N -1.66 -0.71 0.04 5.32 0.00 -1.26 -1.13 121.76 122.36 3h72 s ALA 700 Ca -0.11 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.34 3h72 s ALA 700 Cb -0.08 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.86 3h72 s ALA 700 CO -0.01 -0.21 -0.05 0.96 0.00 0.00 0.00 175.76 176.45 3h72 s ILE 701 N -0.73 0.30 0.33 0.00 -4.36 -0.05 -4.73 121.20 111.98 3h72 s ILE 701 Ca -0.08 -1.16 -0.18 0.00 -0.26 0.00 0.00 60.65 58.96 3h72 s ILE 701 Cb -0.04 -0.64 -0.09 0.00 1.25 0.00 0.00 42.46 42.93 3h72 s ILE 701 CO 0.02 -0.56 0.81 -2.28 0.24 0.00 0.00 174.94 173.18 3h72 s HIS 702 N -1.93 3.43 -0.07 1.37 5.65 -1.26 -1.26 115.29 121.22 3h72 s HIS 702 Ca -0.09 1.41 -0.30 0.00 0.25 0.00 0.00 55.06 56.33 3h72 s HIS 702 Cb -0.06 -2.67 0.07 0.00 -1.18 0.00 0.00 32.58 28.73 3h72 s HIS 702 CO -0.02 0.09 0.67 -0.08 -0.65 0.00 0.00 174.74 174.75 3h72 s THR 703 N -1.93 0.00 -0.01 0.89 -1.32 -0.75 -4.92 115.64 107.60 3h72 s THR 703 Ca 0.54 -0.02 0.04 0.00 -1.21 0.00 0.00 61.69 61.04 3h72 s THR 703 Cb -0.12 -0.98 -0.03 0.00 -1.51 0.00 0.00 72.50 69.86 3h72 s THR 703 CO 0.17 -0.01 -0.11 -0.04 -2.21 0.00 0.00 174.62 172.43 3h72 s MET 704 N -1.05 2.48 -0.16 7.08 -1.94 -1.26 -0.85 119.30 123.61 3h72 s MET 704 Ca -0.10 -0.74 -0.05 0.00 -1.71 0.00 0.00 55.69 53.09 3h72 s MET 704 Cb -0.01 -2.43 0.08 0.00 2.01 0.00 0.00 34.83 34.48 3h72 s MET 704 CO 0.09 0.60 0.28 -1.58 -0.01 0.00 0.00 175.02 174.40 3h72 s HIS 705 N -0.90 -0.47 -1.42 -0.03 5.04 -0.10 -4.90 115.29 112.53 3h72 s HIS 705 Ca 0.15 0.91 -0.05 0.00 -1.54 0.00 0.00 55.06 54.52 3h72 s HIS 705 Cb -0.11 -0.05 0.03 0.00 0.04 0.00 0.00 32.58 32.50 3h72 s HIS 705 CO 0.05 -0.43 0.73 0.39 -2.34 0.00 0.00 174.74 173.13 3h72 n GLU 706 N 5.35 -4.67 -0.90 2.88 1.02 -1.26 -1.19 120.64 121.86 3h72 n GLU 706 Ca -0.06 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 3h72 n GLU 706 Cb 0.50 -5.14 0.00 0.00 -0.02 0.00 0.00 31.44 26.78 3h72 n GLU 706 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h72 n GLY 707 N -1.68 0.48 3.65 0.62 0.00 -1.26 -5.00 105.19 102.01 3h72 n GLY 707 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3h72 n GLY 707 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h72 s LYS 708 N -0.54 2.69 -0.09 1.61 1.02 -0.33 -5.11 119.74 118.99 3h72 s LYS 708 Ca 0.00 -0.66 -0.15 0.00 0.02 0.00 0.00 55.97 55.18 3h72 s LYS 708 Cb 0.00 -2.61 -0.05 0.00 -0.52 0.00 0.00 37.83 34.65 3h72 s LYS 708 CO 0.00 0.61 0.36 -2.00 -0.92 0.00 0.00 175.35 173.40 3h72 s GLU 709 N -1.56 4.10 0.25 1.68 2.12 -1.26 -0.92 118.70 123.11 3h72 s GLU 709 Ca 0.19 0.26 0.02 0.00 0.36 0.00 0.00 54.97 55.81 3h72 s GLU 709 Cb -0.11 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 30.90 3h72 s GLU 709 CO 0.10 0.41 0.19 0.71 -0.54 0.00 0.00 175.26 176.13 3h72 s TYR 710 N -0.13 1.39 -0.01 5.30 2.02 -0.03 -1.08 117.35 124.81 3h72 s TYR 710 Ca 0.21 -1.49 0.01 0.00 -0.37 0.00 0.00 57.07 55.43 3h72 s TYR 710 Cb -0.15 -0.62 0.01 0.00 -0.40 0.00 0.00 41.96 40.80 3h72 s TYR 710 CO 0.08 -0.72 -0.01 0.42 -1.57 0.00 0.00 175.55 173.75 3h72 s ILE 711 N -3.89 0.17 -0.15 2.71 1.01 -0.36 -1.81 121.20 118.88 3h72 s ILE 711 Ca 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 61.03 3h72 s ILE 711 Cb 0.05 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.31 3h72 s ILE 711 CO 0.18 0.09 -0.11 -0.63 0.00 0.00 0.00 174.94 174.47 3h72 s ILE 712 N 0.43 3.11 -0.03 2.92 1.01 -0.39 -1.33 121.20 126.92 3h72 s ILE 712 Ca -0.04 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.02 3h72 s ILE 712 Cb -0.07 -2.33 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 3h72 s ILE 712 CO -0.01 0.51 -0.12 -0.22 0.00 0.00 0.00 174.94 175.10 3h72 s LEU 713 N 0.57 1.86 -0.02 2.97 0.20 -0.05 -0.87 118.68 123.34 3h72 s LEU 713 Ca -0.07 -0.25 0.05 0.00 0.69 0.00 0.00 54.13 54.55 3h72 s LEU 713 Cb -0.15 -0.70 -0.01 0.00 -0.43 0.00 0.00 46.19 44.90 3h72 s LEU 713 CO 0.03 0.11 -0.17 -0.55 -0.29 0.00 0.00 176.35 175.48 3h72 s SER 714 N 0.08 2.04 0.15 3.68 0.15 -0.28 0.91 113.70 120.43 3h72 s SER 714 Ca -0.02 -0.32 -0.24 0.00 0.70 0.00 0.00 55.95 56.06 3h72 s SER 714 Cb -0.09 -0.36 0.07 0.00 -1.71 0.00 0.00 66.02 63.94 3h72 s SER 714 CO 0.01 0.19 1.03 0.54 1.20 0.00 0.00 173.24 176.20 3h72 s ASN 715 N -0.23 -0.09 0.44 5.45 6.03 -0.93 -2.58 114.94 123.04 3h72 s ASN 715 Ca 0.03 -0.49 -0.25 0.00 -1.03 0.00 0.00 52.86 51.11 3h72 s ASN 715 Cb -0.08 0.46 -0.08 0.00 -3.03 0.00 0.00 41.25 38.52 3h72 s ASN 715 CO 0.00 -0.88 1.35 0.00 -2.03 0.00 0.00 177.10 175.54 3h72 s ALA 716 N -2.74 3.19 -0.51 3.54 0.00 -1.26 -1.22 121.76 122.75 3h72 s ALA 716 Ca 0.16 1.32 0.23 0.00 0.00 0.00 0.00 51.96 53.68 3h72 s ALA 716 Cb -0.01 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.62 3h72 s ALA 716 CO 0.03 -1.03 1.03 0.41 0.00 0.00 0.00 175.76 176.20 3h72 n GLY 717 N 0.62 -1.26 0.47 0.00 0.00 0.68 -4.69 105.19 101.03 3h72 n GLY 717 Ca 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3h72 n GLY 717 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h72 n GLY 718 N 1.33 -3.32 0.25 -0.02 0.00 -0.82 -4.92 105.19 97.68 3h72 n GLY 718 Ca 0.01 -1.91 0.02 0.00 0.00 0.00 0.00 46.02 44.14 3h72 n GLY 718 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h72 h PRO 719 N 0.00 0.36 0.00 1.61 0.11 -1.97 -3.41 132.00 128.69 3h72 h PRO 719 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3h72 h PRO 719 Cb 0.00 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3h72 h PRO 719 CO 0.00 0.24 0.00 1.63 -0.21 0.00 0.00 178.00 179.66 3h72 n LYS 720 N -5.04 3.62 -2.54 1.05 5.02 -1.26 -4.92 118.16 114.10 3h72 n LYS 720 Ca 0.10 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.96 3h72 n LYS 720 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.34 3h72 n LYS 720 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h72 n ARG 721 N 0.00 3.21 -3.88 1.97 1.74 -1.26 -4.67 116.66 113.77 3h72 n ARG 721 Ca 0.00 -3.32 -0.08 0.00 -0.77 0.00 0.00 57.85 53.67 3h72 n ARG 721 Cb 0.00 -3.35 -0.03 0.00 -1.02 0.00 0.00 32.46 28.06 3h72 n ARG 721 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3h72 s GLU 722 N 3.34 1.63 -0.58 5.56 -1.05 -1.17 -1.33 118.70 125.10 3h72 s GLU 722 Ca 0.50 -1.05 -0.11 0.00 -0.15 0.00 0.00 54.97 54.16 3h72 s GLU 722 Cb 0.04 0.55 0.01 0.00 -0.44 0.00 0.00 34.13 34.29 3h72 s GLU 722 CO 0.04 -0.72 0.64 0.09 0.95 0.00 0.00 175.26 176.27 3h72 n ASN 723 N -0.41 -7.37 -4.76 0.83 3.02 0.66 -1.86 115.26 105.37 3h72 n ASN 723 Ca -0.04 0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 3h72 n ASN 723 Cb 0.61 -4.65 -0.01 0.00 -0.61 0.00 0.00 39.78 35.12 3h72 n ASN 723 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h72 n GLY 724 N -0.96 1.27 3.21 7.41 0.00 0.27 -0.23 105.19 116.17 3h72 n GLY 724 Ca 0.01 0.37 -0.20 0.00 0.00 0.00 0.00 46.02 46.20 3h72 n GLY 724 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3h72 s MET 725 N -1.46 0.93 -0.23 1.61 -1.94 -0.36 -0.48 119.30 117.36 3h72 s MET 725 Ca 0.57 -1.04 0.02 0.00 -1.71 0.00 0.00 55.69 53.53 3h72 s MET 725 Cb -0.48 -1.02 0.05 0.00 2.01 0.00 0.00 34.83 35.39 3h72 s MET 725 CO 0.58 0.23 -0.10 0.08 -0.01 0.00 0.00 175.02 175.79 3h72 s VAL 726 N -1.27 1.91 -0.06 -6.03 1.01 -0.18 -2.19 120.40 113.58 3h72 s VAL 726 Ca 0.01 -1.35 -0.11 0.00 0.00 0.00 0.00 61.98 60.52 3h72 s VAL 726 Cb -0.10 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 3h72 s VAL 726 CO 0.03 0.04 0.29 -1.00 0.00 0.00 0.00 175.10 174.46 3h72 s HIS 727 N 1.24 3.65 -0.12 5.22 0.09 0.26 -2.16 115.29 123.48 3h72 s HIS 727 Ca -0.05 0.77 0.02 0.00 -0.00 0.00 0.00 55.06 55.79 3h72 s HIS 727 Cb -0.18 -2.15 -0.01 0.00 -0.00 0.00 0.00 32.58 30.24 3h72 s HIS 727 CO -0.07 0.65 -0.18 -1.17 -0.00 0.00 0.00 174.74 173.97 3h72 s LEU 728 N -0.91 2.44 0.00 0.89 2.96 -0.42 -0.87 118.68 122.76 3h72 s LEU 728 Ca 0.19 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3h72 s LEU 728 Cb -0.14 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3h72 s LEU 728 CO 0.09 0.16 -0.13 0.00 -1.32 0.00 0.00 176.35 175.15 3h72 s ALA 729 N 0.34 1.05 0.04 5.97 0.00 -0.44 -0.24 121.76 128.48 3h72 s ALA 729 Ca -0.15 -0.59 -0.21 0.00 0.00 0.00 0.00 51.96 51.01 3h72 s ALA 729 Cb -0.17 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.65 3h72 s ALA 729 CO 0.07 0.24 0.62 0.50 0.00 0.00 0.00 175.76 177.19 3h72 s ARG 730 N -0.47 4.32 -0.22 0.00 6.06 0.06 -1.23 118.95 127.46 3h72 s ARG 730 Ca 0.04 0.80 -0.05 0.00 -2.50 0.00 0.00 55.73 54.02 3h72 s ARG 730 Cb -0.05 -3.30 -0.02 0.00 0.06 0.00 0.00 34.95 31.63 3h72 s ARG 730 CO -0.00 0.46 0.00 0.08 -2.50 0.00 0.00 175.30 173.35 3h72 s VAL 731 N -0.55 3.82 0.75 7.11 1.01 -0.24 -2.01 120.40 130.29 3h72 s VAL 731 Ca 0.31 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.90 3h72 s VAL 731 Cb -0.19 -2.75 0.11 0.00 0.00 0.00 0.00 36.38 33.55 3h72 s VAL 731 CO 0.19 0.40 1.04 -1.61 0.00 0.00 0.00 175.10 175.12 3h72 s GLU 732 N 1.39 1.71 0.55 2.72 0.41 -0.94 -4.53 118.70 120.01 3h72 s GLU 732 Ca 0.05 -0.68 0.28 0.00 -0.41 0.00 0.00 54.97 54.21 3h72 s GLU 732 Cb -0.15 -2.20 1.58 0.00 -1.78 0.00 0.00 34.13 31.59 3h72 s GLU 732 CO 0.00 -1.50 2.14 0.93 -0.49 0.00 0.00 175.26 176.34 3h72 h GLU 733 N -0.71 0.00 -0.05 1.61 5.08 -1.99 -0.76 114.58 117.75 3h72 h GLU 733 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 3h72 h GLU 733 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 3h72 h GLU 733 CO 0.47 0.08 0.00 0.27 -1.00 0.00 0.00 179.01 178.83 3h72 n ASN 734 N -3.72 1.14 0.00 1.42 6.94 -1.26 -4.77 115.26 115.00 3h72 n ASN 734 Ca -0.02 -1.46 0.00 0.00 -0.02 0.00 0.00 54.58 53.08 3h72 n ASN 734 Cb 0.18 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3h72 n ASN 734 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3h72 n GLY 735 N 1.10 0.86 3.80 4.83 0.00 -0.29 -5.03 105.19 110.46 3h72 n GLY 735 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3h72 n GLY 735 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h72 s GLU 736 N -0.18 3.65 -0.02 1.61 0.41 -1.26 -4.78 118.70 118.13 3h72 s GLU 736 Ca 0.00 1.28 0.02 0.00 -0.41 0.00 0.00 54.97 55.86 3h72 s GLU 736 Cb 0.00 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 30.24 3h72 s GLU 736 CO 0.00 -0.55 -0.05 -0.51 -0.49 0.00 0.00 175.26 173.66 3h72 s LEU 737 N -3.87 3.24 -0.22 1.80 1.43 -1.26 -2.20 118.68 117.60 3h72 s LEU 737 Ca 0.65 -0.07 -0.01 0.00 -1.03 0.00 0.00 54.13 53.68 3h72 s LEU 737 Cb -0.16 -1.81 0.06 0.00 0.03 0.00 0.00 46.19 44.32 3h72 s LEU 737 CO 0.26 0.31 -0.01 -0.89 0.23 0.00 0.00 176.35 176.26 3h72 s THR 738 N -0.95 1.08 -0.09 5.49 2.01 -0.85 -4.96 115.64 117.37 3h72 s THR 738 Ca 0.16 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.90 3h72 s THR 738 Cb -0.11 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.89 3h72 s THR 738 CO 0.06 -0.18 1.34 0.26 -0.69 0.00 0.00 174.62 175.41 3h72 s TRP 739 N 1.59 2.77 -0.26 4.92 0.52 -1.26 -0.76 118.94 126.47 3h72 s TRP 739 Ca -0.03 0.88 -0.05 0.00 0.02 0.00 0.00 56.10 56.92 3h72 s TRP 739 Cb -0.18 -3.59 -0.14 0.00 -1.15 0.00 0.00 33.47 28.41 3h72 s TRP 739 CO -0.08 -2.12 -0.28 1.28 0.02 0.00 0.00 176.95 175.77 3h72 n LEU 740 N 6.18 2.47 -4.09 2.99 4.77 0.67 -4.97 117.00 125.03 3h72 n LEU 740 Ca 0.14 0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 56.09 3h72 n LEU 740 Cb 0.45 -0.83 -0.11 0.00 -2.33 0.00 0.00 43.42 40.59 3h72 n LEU 740 CO 0.57 0.75 -0.39 -0.54 -1.33 0.00 0.00 177.39 176.46 3h72 s LYS 741 N -2.49 0.61 -0.29 3.23 3.01 -1.13 -4.99 119.74 117.68 3h72 s LYS 741 Ca -0.35 -0.99 -0.03 0.00 -1.01 0.00 0.00 55.97 53.58 3h72 s LYS 741 Cb 0.11 -0.15 0.11 0.00 -1.01 0.00 0.00 37.83 36.89 3h72 s LYS 741 CO 0.53 -0.01 0.15 -1.01 0.51 0.00 0.00 175.35 175.52 3h72 s HIS 742 N -2.47 0.24 -0.11 3.18 3.76 -1.26 -1.30 115.29 117.33 3h72 s HIS 742 Ca -0.01 -0.83 0.02 0.00 -0.15 0.00 0.00 55.06 54.09 3h72 s HIS 742 Cb -0.03 -0.85 -0.01 0.00 1.11 0.00 0.00 32.58 32.81 3h72 s HIS 742 CO -0.03 -0.84 -0.16 -0.80 -0.85 0.00 0.00 174.74 172.06 3h72 s ASN 743 N 2.09 3.74 0.45 1.40 0.01 -0.92 -4.94 114.94 116.77 3h72 s ASN 743 Ca 0.09 -0.38 -0.24 0.00 -0.71 0.00 0.00 52.86 51.62 3h72 s ASN 743 Cb -0.16 -1.45 -0.08 0.00 0.41 0.00 0.00 41.25 39.98 3h72 s ASN 743 CO -0.35 0.19 1.27 -2.16 -1.51 0.00 0.00 177.10 174.54 3h72 s PRO 744 N 0.22 3.74 0.00 -0.60 0.04 -1.26 -1.01 135.00 136.13 3h72 s PRO 744 Ca -0.10 2.06 0.00 0.00 0.04 0.00 0.00 61.00 62.99 3h72 s PRO 744 Cb -0.16 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.83 3h72 s PRO 744 CO 0.06 -0.65 0.00 1.51 0.04 0.00 0.00 177.00 177.96 3h72 n ILE 745 N -0.28 0.00 -3.36 0.56 3.06 0.36 -4.87 119.36 114.83 3h72 n ILE 745 Ca 0.06 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.27 3h72 n ILE 745 Cb 0.45 0.16 -0.06 0.00 0.54 0.00 0.00 39.64 40.74 3h72 n ILE 745 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 3h72 s GLN 746 N -1.16 0.44 0.86 9.51 2.00 -1.21 -4.98 119.66 125.12 3h72 s GLN 746 Ca 0.00 0.86 -0.12 0.00 -2.00 0.00 0.00 55.36 54.10 3h72 s GLN 746 Cb 0.00 0.12 0.11 0.00 0.80 0.00 0.00 33.01 34.04 3h72 s GLN 746 CO 0.00 -0.53 1.10 -1.59 -0.50 0.00 0.00 175.29 173.77 3h72 s LYS 747 N 2.70 1.59 2.18 1.67 -2.85 -1.26 -0.56 119.74 123.21 3h72 s LYS 747 Ca 0.11 0.66 0.00 0.00 -1.00 0.00 0.00 55.97 55.75 3h72 s LYS 747 Cb -0.14 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.77 3h72 s LYS 747 CO -0.17 -1.97 0.00 0.41 0.10 0.00 0.00 175.35 173.72 3h72 n GLY 748 N -1.69 -0.99 3.69 0.59 0.00 -1.26 -4.69 105.19 100.84 3h72 n GLY 748 Ca 0.07 -1.21 -0.44 0.00 0.00 0.00 0.00 46.02 44.44 3h72 n GLY 748 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h72 n GLU 749 N -0.02 2.25 -3.66 1.61 -0.58 -1.26 -0.24 120.64 118.73 3h72 n GLU 749 Ca 0.00 0.80 -0.08 0.00 -0.42 0.00 0.00 57.16 57.46 3h72 n GLU 749 Cb 0.00 -2.51 -0.09 0.00 -0.57 0.00 0.00 31.44 28.28 3h72 n GLU 749 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3h72 s PHE 750 N 0.08 -0.88 0.00 -0.32 5.36 -0.44 -4.04 117.98 117.73 3h72 s PHE 750 Ca 0.68 1.75 0.00 0.00 -0.96 0.00 0.00 56.93 58.41 3h72 s PHE 750 Cb -0.61 0.47 0.00 0.00 -0.34 0.00 0.00 43.02 42.55 3h72 s PHE 750 CO 0.48 -0.46 0.00 0.00 -1.46 0.00 0.00 175.22 173.77 3h72 n ALA 751 N 4.50 0.00 -1.75 11.12 0.00 -0.88 -3.04 120.51 130.47 3h72 n ALA 751 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 3h72 n ALA 751 Cb 0.56 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.05 3h72 n ALA 751 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h72 s TYR 752 N 2.63 2.26 0.18 0.00 1.51 -1.26 -4.58 117.35 118.09 3h72 s TYR 752 Ca 0.00 1.43 -0.15 0.00 -1.01 0.00 0.00 57.07 57.33 3h72 s TYR 752 Cb 0.00 -3.72 0.02 0.00 -0.11 0.00 0.00 41.96 38.15 3h72 s TYR 752 CO 0.00 -2.77 0.46 0.54 -1.11 0.00 0.00 175.55 172.67 3h72 s ASN 753 N -1.17 -0.19 -0.12 2.29 4.22 -1.26 -0.57 114.94 118.15 3h72 s ASN 753 Ca 0.75 -0.56 -0.04 0.00 -2.14 0.00 0.00 52.86 50.87 3h72 s ASN 753 Cb -0.38 0.54 0.06 0.00 1.28 0.00 0.00 41.25 42.75 3h72 s ASN 753 CO 0.43 -1.00 0.24 -0.55 -2.04 0.00 0.00 177.10 174.18 3h72 s SER 754 N -2.89 0.42 0.05 3.54 0.15 0.27 -4.26 113.70 110.98 3h72 s SER 754 Ca 0.10 0.53 -0.01 0.00 0.70 0.00 0.00 55.95 57.27 3h72 s SER 754 Cb 0.00 0.58 -0.04 0.00 -1.71 0.00 0.00 66.02 64.85 3h72 s SER 754 CO -0.03 -0.24 0.22 -0.76 1.20 0.00 0.00 173.24 173.63 3h72 s LEU 755 N 2.33 4.36 -0.12 3.45 1.43 -1.26 -1.64 118.68 127.23 3h72 s LEU 755 Ca 0.01 0.31 -0.13 0.00 -1.03 0.00 0.00 54.13 53.30 3h72 s LEU 755 Cb -0.12 -2.91 0.03 0.00 0.03 0.00 0.00 46.19 43.23 3h72 s LEU 755 CO -0.08 0.18 0.35 -1.10 0.23 0.00 0.00 176.35 175.94 3h72 s GLN 756 N -2.39 0.44 0.04 1.70 -1.52 -0.65 -4.89 119.66 112.40 3h72 s GLN 756 Ca 0.34 0.43 -0.25 0.00 -1.95 0.00 0.00 55.36 53.92 3h72 s GLN 756 Cb -0.13 0.21 -0.05 0.00 -0.22 0.00 0.00 33.01 32.82 3h72 s GLN 756 CO 0.26 -0.06 0.78 -2.00 -0.25 0.00 0.00 175.29 174.01 3h72 s GLU 757 N 0.04 4.50 -0.02 2.91 2.12 -1.26 -0.61 118.70 126.39 3h72 s GLU 757 Ca -0.01 1.08 0.22 0.00 0.36 0.00 0.00 54.97 56.62 3h72 s GLU 757 Cb -0.03 -3.37 -0.30 0.00 0.26 0.00 0.00 34.13 30.69 3h72 s GLU 757 CO 0.01 0.26 0.61 1.28 -0.54 0.00 0.00 175.26 176.88 3h72 n LEU 758 N 2.89 0.31 0.00 2.70 4.77 -0.02 -4.89 117.00 122.75 3h72 n LEU 758 Ca -0.02 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3h72 n LEU 758 Cb 0.50 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3h72 n LEU 758 CO 0.47 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.22 3h72 n GLY 759 N 1.33 1.60 2.56 -0.72 0.00 -1.13 -4.91 105.19 103.92 3h72 n GLY 759 Ca -0.02 -1.98 -0.21 0.00 0.00 0.00 0.00 46.02 43.82 3h72 n GLY 759 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h72 n ASN 760 N 0.00 -5.83 -0.05 1.61 5.15 -1.26 -1.38 115.26 113.50 3h72 n ASN 760 Ca 0.00 -0.07 -0.01 0.00 -0.60 0.00 0.00 54.58 53.90 3h72 n ASN 760 Cb 0.00 -4.82 -0.00 0.00 -0.53 0.00 0.00 39.78 34.43 3h72 n ASN 760 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h72 n GLY 761 N -1.13 0.42 3.72 8.20 0.00 -1.26 -5.02 105.19 110.12 3h72 n GLY 761 Ca -0.21 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.47 3h72 n GLY 761 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h72 s GLU 762 N -0.75 2.58 0.05 1.61 2.02 -0.48 -2.85 118.70 120.87 3h72 s GLU 762 Ca 0.00 -1.13 0.01 0.00 0.02 0.00 0.00 54.97 53.86 3h72 s GLU 762 Cb 0.00 -2.40 -0.03 0.00 0.10 0.00 0.00 34.13 31.80 3h72 s GLU 762 CO 0.00 0.43 -0.05 0.71 0.02 0.00 0.00 175.26 176.36 3h72 s TYR 763 N -1.97 0.55 0.17 1.61 2.02 0.52 -0.84 117.35 119.40 3h72 s TYR 763 Ca 0.30 -0.71 0.08 0.00 -0.37 0.00 0.00 57.07 56.38 3h72 s TYR 763 Cb -0.08 -0.35 -0.04 0.00 -0.40 0.00 0.00 41.96 41.08 3h72 s TYR 763 CO 0.21 -0.19 -0.18 0.20 -1.57 0.00 0.00 175.55 174.02 3h72 s GLY 764 N -2.10 1.39 -0.12 0.71 0.00 0.22 -0.97 107.32 106.47 3h72 s GLY 764 Ca -0.04 -1.50 -0.07 0.00 0.00 0.00 0.00 44.72 43.10 3h72 s GLY 764 CO -0.03 -1.56 0.29 -1.50 0.00 0.00 0.00 173.10 170.30 3h72 s ILE 765 N -2.13 -0.03 -0.18 0.90 2.07 -0.44 -1.63 121.20 119.76 3h72 s ILE 765 Ca 0.16 0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.47 3h72 s ILE 765 Cb -0.05 -0.44 -0.01 0.00 0.13 0.00 0.00 42.46 42.09 3h72 s ILE 765 CO 0.07 0.04 -0.06 -0.22 -1.91 0.00 0.00 174.94 172.85 3h72 s LEU 766 N 0.98 2.93 0.13 8.50 2.96 -0.65 -1.82 118.68 131.71 3h72 s LEU 766 Ca -0.07 -0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 3h72 s LEU 766 Cb -0.08 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 3h72 s LEU 766 CO -0.07 0.06 0.11 -0.72 -1.32 0.00 0.00 176.35 174.42 3h72 s TYR 767 N 0.97 0.69 -0.06 5.38 1.13 -0.07 -0.57 117.35 124.82 3h72 s TYR 767 Ca -0.00 -1.08 -0.20 0.00 -1.41 0.00 0.00 57.07 54.38 3h72 s TYR 767 Cb -0.15 -0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 40.32 3h72 s TYR 767 CO 0.00 -0.56 0.55 -1.21 -2.51 0.00 0.00 175.55 171.83 3h72 s GLU 768 N -4.01 4.33 0.03 -3.49 2.02 0.26 -1.25 118.70 116.59 3h72 s GLU 768 Ca 0.20 0.62 -0.28 0.00 0.02 0.00 0.00 54.97 55.54 3h72 s GLU 768 Cb 0.06 -3.40 0.08 0.00 0.10 0.00 0.00 34.13 30.97 3h72 s GLU 768 CO 0.00 0.24 0.68 -1.58 0.02 0.00 0.00 175.26 174.62 3h72 s HIS 769 N 0.29 -0.57 0.03 1.61 2.46 -0.81 -2.08 115.29 116.22 3h72 s HIS 769 Ca 0.30 0.73 -0.04 0.00 0.47 0.00 0.00 55.06 56.52 3h72 s HIS 769 Cb -0.17 0.48 -0.01 0.00 -0.13 0.00 0.00 32.58 32.75 3h72 s HIS 769 CO 0.14 -0.68 0.07 0.95 -2.47 0.00 0.00 174.74 172.75 3h72 s THR 770 N -2.29 0.13 0.08 0.89 -4.23 -1.26 -1.67 115.64 107.30 3h72 s THR 770 Ca -0.05 -1.10 -0.26 0.00 -1.18 0.00 0.00 61.69 59.10 3h72 s THR 770 Cb -0.00 -0.81 0.08 0.00 1.34 0.00 0.00 72.50 73.10 3h72 s THR 770 CO -0.01 -0.61 0.83 -1.83 -0.54 0.00 0.00 174.62 172.47 3h72 s GLU 771 N -2.45 1.05 -1.70 3.99 -1.05 -1.26 -4.25 118.70 113.04 3h72 s GLU 771 Ca -0.06 -0.45 0.00 0.00 -0.15 0.00 0.00 54.97 54.30 3h72 s GLU 771 Cb -0.02 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 3h72 s GLU 771 CO -0.04 -0.47 0.00 0.36 0.95 0.00 0.00 175.26 176.06 3h72 n LYS 772 N -0.33 -1.55 -0.30 -4.83 2.85 -1.26 -1.87 118.16 110.86 3h72 n LYS 772 Ca -0.10 0.95 0.00 0.00 -1.05 0.00 0.00 58.31 58.11 3h72 n LYS 772 Cb 0.62 -5.37 0.00 0.00 -0.65 0.00 0.00 35.03 29.63 3h72 n LYS 772 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3h72 n GLY 773 N -0.51 0.82 3.76 2.58 0.00 -1.26 -4.93 105.19 105.65 3h72 n GLY 773 Ca -0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.45 3h72 n GLY 773 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h72 s GLN 774 N -0.70 3.58 0.53 1.61 -0.21 -0.78 -1.18 119.66 122.51 3h72 s GLN 774 Ca 0.00 2.19 -0.19 0.00 0.02 0.00 0.00 55.36 57.37 3h72 s GLN 774 Cb 0.00 -2.50 -0.06 0.00 1.00 0.00 0.00 33.01 31.44 3h72 s GLN 774 CO 0.00 -0.82 1.11 -0.80 -2.12 0.00 0.00 175.29 172.65 3h72 s ASN 775 N -0.85 5.85 -0.20 5.90 0.02 0.63 -4.68 114.94 121.61 3h72 s ASN 775 Ca 0.64 2.11 -0.29 0.00 -1.02 0.00 0.00 52.86 54.30 3h72 s ASN 775 Cb -0.39 -2.57 -0.02 0.00 0.02 0.00 0.00 41.25 38.28 3h72 s ASN 775 CO 0.48 -1.13 1.53 0.00 0.02 0.00 0.00 177.10 178.01 3h72 s ALA 776 N -1.84 3.37 0.23 0.60 0.00 -1.26 -3.88 121.76 118.98 3h72 s ALA 776 Ca 0.71 0.47 0.00 0.00 0.00 0.00 0.00 51.96 53.15 3h72 s ALA 776 Cb -0.22 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.06 3h72 s ALA 776 CO 0.26 -1.76 0.15 0.71 0.00 0.00 0.00 175.76 175.11 3h72 s TYR 777 N 4.74 1.29 -0.15 0.00 2.02 -0.06 -4.32 117.35 120.86 3h72 s TYR 777 Ca 0.68 -1.40 -0.04 0.00 -0.37 0.00 0.00 57.07 55.93 3h72 s TYR 777 Cb -0.24 -0.62 -0.03 0.00 -0.40 0.00 0.00 41.96 40.66 3h72 s TYR 777 CO 0.27 -0.63 -0.01 0.99 -1.57 0.00 0.00 175.55 174.60 3h72 s THR 778 N -4.01 4.19 -0.29 -0.71 2.01 -0.67 -2.91 115.64 113.26 3h72 s THR 778 Ca 0.39 -0.26 -0.14 0.00 0.31 0.00 0.00 61.69 62.00 3h72 s THR 778 Cb 0.06 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.70 3h72 s THR 778 CO 0.14 0.50 0.31 -0.76 -0.69 0.00 0.00 174.62 174.12 3h72 s LEU 779 N 0.17 4.13 0.29 4.42 1.02 -0.03 -1.93 118.68 126.75 3h72 s LEU 779 Ca 0.00 0.06 0.10 0.00 0.02 0.00 0.00 54.13 54.32 3h72 s LEU 779 Cb -0.13 -2.30 -0.05 0.00 0.02 0.00 0.00 46.19 43.73 3h72 s LEU 779 CO 0.02 -0.17 -0.07 -0.44 0.02 0.00 0.00 176.35 175.70 3h72 s SER 780 N 1.70 4.11 0.02 2.29 0.01 -0.38 -0.58 113.70 120.89 3h72 s SER 780 Ca 0.11 -0.86 0.08 0.00 1.31 0.00 0.00 55.95 56.59 3h72 s SER 780 Cb -0.16 -0.58 -0.02 0.00 0.21 0.00 0.00 66.02 65.47 3h72 s SER 780 CO 0.11 -0.03 -0.24 0.12 0.41 0.00 0.00 173.24 173.60 3h72 s PHE 781 N -2.43 2.12 0.03 2.43 5.36 0.15 -0.89 117.98 124.74 3h72 s PHE 781 Ca 0.32 -0.40 -0.05 0.00 -0.96 0.00 0.00 56.93 55.84 3h72 s PHE 781 Cb -0.05 -1.30 -0.01 0.00 -0.34 0.00 0.00 43.02 41.32 3h72 s PHE 781 CO 0.18 0.06 0.08 1.03 -1.46 0.00 0.00 175.22 175.11 3h72 s ARG 782 N -0.98 0.53 0.03 10.12 0.52 -0.75 -1.06 118.95 127.36 3h72 s ARG 782 Ca 0.10 -0.68 0.07 0.00 -0.52 0.00 0.00 55.73 54.71 3h72 s ARG 782 Cb -0.09 0.21 -0.02 0.00 0.52 0.00 0.00 34.95 35.56 3h72 s ARG 782 CO 0.01 -0.13 -0.22 0.21 0.02 0.00 0.00 175.30 175.20 3h72 s LYS 783 N -2.25 1.52 0.11 3.54 2.20 -1.26 -1.33 119.74 122.27 3h72 s LYS 783 Ca -0.08 -0.93 -0.08 0.00 -0.36 0.00 0.00 55.97 54.52 3h72 s LYS 783 Cb -0.03 -1.61 -0.01 0.00 -1.51 0.00 0.00 37.83 34.67 3h72 s LYS 783 CO -0.03 0.42 0.19 -0.59 -0.36 0.00 0.00 175.35 174.98 3h72 s PHE 784 N -0.74 0.30 0.29 4.03 -0.71 -0.14 -1.03 117.98 119.97 3h72 s PHE 784 Ca 0.08 -0.72 0.00 0.00 -1.04 0.00 0.00 56.93 55.26 3h72 s PHE 784 Cb -0.09 -0.11 0.00 0.00 -1.21 0.00 0.00 43.02 41.61 3h72 s PHE 784 CO 0.01 -0.58 0.03 0.27 -1.34 0.00 0.00 175.22 173.62 3h72 n ASN 785 N -0.09 2.69 0.25 1.98 2.04 -1.03 -0.36 115.26 120.74 3h72 n ASN 785 Ca -0.12 -2.23 0.07 0.00 -0.44 0.00 0.00 54.58 51.86 3h72 n ASN 785 Cb 0.63 0.17 0.60 0.00 -2.53 0.00 0.00 39.78 38.65 3h72 n ASN 785 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 3h72 h TRP 786 N 1.07 0.00 0.00 -2.53 2.91 -1.89 -1.45 115.95 114.07 3h72 h TRP 786 Ca -0.23 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.74 3h72 h TRP 786 Cb 0.72 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.36 3h72 h TRP 786 CO 0.00 0.06 -0.22 -0.44 -1.03 0.00 0.00 178.44 176.81 3h72 h ASP 787 N 0.00 0.00 0.13 2.65 3.32 -1.90 -0.15 116.42 120.46 3h72 h ASP 787 Ca -0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 3h72 h ASP 787 Cb 0.11 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.67 3h72 h ASP 787 CO 0.01 0.22 -1.07 0.15 -1.72 0.00 0.00 179.24 176.83 3h72 h PHE 788 N 0.00 0.92 -0.00 4.55 3.57 -1.52 -2.82 116.94 121.64 3h72 h PHE 788 Ca -0.00 -0.52 -0.00 0.00 3.53 0.00 0.00 57.97 60.98 3h72 h PHE 788 Cb 0.40 -0.10 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 3h72 h PHE 788 CO 0.00 1.35 -0.00 -0.07 -2.23 0.00 0.00 178.31 177.36 3h72 h LEU 789 N 0.32 0.00 0.00 0.59 3.38 -1.16 -3.41 115.31 115.04 3h72 h LEU 789 Ca -0.13 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.37 3h72 h LEU 789 Cb 1.72 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 3h72 h LEU 789 CO 0.20 0.47 -0.05 0.77 0.09 0.00 0.00 178.44 179.93 3h72 h SER 790 N -0.46 0.00 -4.01 -0.43 4.64 -1.19 -3.45 113.55 108.65 3h72 h SER 790 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3h72 h SER 790 Cb 0.47 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.73 3h72 h SER 790 CO 0.00 0.20 0.37 0.29 -0.87 0.00 0.00 176.83 176.82 3h72 n LYS 791 N -3.01 0.83 -3.16 4.77 5.02 -1.06 -4.98 118.16 116.56 3h72 n LYS 791 Ca -0.01 0.34 -0.33 0.00 -2.02 0.00 0.00 58.31 56.30 3h72 n LYS 791 Cb 0.03 -2.43 -0.06 0.00 -0.02 0.00 0.00 35.03 32.55 3h72 n LYS 791 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h72 s ASP 792 N -1.53 6.78 0.00 4.39 1.01 -1.26 -4.67 116.67 121.39 3h72 s ASP 792 Ca 0.79 1.25 0.29 0.00 0.71 0.00 0.00 52.55 55.60 3h72 s ASP 792 Cb -0.36 -2.36 1.36 0.00 1.01 0.00 0.00 42.92 42.57 3h72 s ASP 792 CO 0.44 -0.18 1.92 0.18 0.21 0.00 0.00 175.17 177.75