#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h71 s PRO 318 N 0.00 2.81 0.33 1.47 0.04 -1.26 -4.95 135.00 133.44 3h71 s PRO 318 Ca 0.00 1.34 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 3h71 s PRO 318 Cb 0.00 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.47 3h71 s PRO 318 CO 0.00 -1.23 1.54 0.39 0.04 0.00 0.00 177.00 177.74 3h71 n GLU 319 N -2.49 2.67 0.00 4.56 -0.58 -1.26 -1.92 120.64 121.62 3h71 n GLU 319 Ca 0.10 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.78 3h71 n GLU 319 Cb 0.52 -2.70 0.00 0.00 -0.57 0.00 0.00 31.44 28.69 3h71 n GLU 319 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h71 n GLY 320 N 1.42 2.86 3.77 0.62 0.00 -1.26 -5.03 105.19 107.57 3h71 n GLY 320 Ca 0.05 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 3h71 n GLY 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h71 s ALA 321 N -2.07 3.23 -0.01 4.61 0.00 -0.81 -4.70 121.76 122.01 3h71 s ALA 321 Ca 0.00 0.86 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3h71 s ALA 321 Cb 0.00 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.80 3h71 s ALA 321 CO 0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 175.76 175.47 3h71 s ALA 322 N -1.40 0.15 -0.20 0.00 0.00 -1.26 -4.86 121.76 114.19 3h71 s ALA 322 Ca 0.52 0.05 -0.04 0.00 0.00 0.00 0.00 51.96 52.49 3h71 s ALA 322 Cb -0.28 -0.13 0.10 0.00 0.00 0.00 0.00 23.12 22.81 3h71 s ALA 322 CO 0.36 -0.01 0.30 -1.17 0.00 0.00 0.00 175.76 175.24 3h71 s LEU 323 N 0.37 -0.38 0.82 0.00 2.96 -1.26 -2.54 118.68 118.65 3h71 s LEU 323 Ca -0.03 0.22 -0.10 0.00 -0.22 0.00 0.00 54.13 53.99 3h71 s LEU 323 Cb -0.05 0.79 0.08 0.00 0.50 0.00 0.00 46.19 47.51 3h71 s LEU 323 CO -0.01 -0.29 1.11 0.42 -1.32 0.00 0.00 176.35 176.26 3h71 s THR 324 N 2.45 2.92 0.68 3.68 -4.23 -0.30 -4.98 115.64 115.85 3h71 s THR 324 Ca 0.07 0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.75 3h71 s THR 324 Cb -0.14 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3h71 s THR 324 CO -0.13 -0.39 1.07 -1.61 -0.54 0.00 0.00 174.62 173.02 3h71 s GLU 325 N -4.82 2.90 0.10 3.99 0.41 -1.26 -4.65 118.70 115.38 3h71 s GLU 325 Ca 0.63 1.10 -0.33 0.00 -0.41 0.00 0.00 54.97 55.96 3h71 s GLU 325 Cb -0.19 -1.98 -0.12 0.00 -1.78 0.00 0.00 34.13 30.06 3h71 s GLU 325 CO 0.57 -1.13 1.73 1.17 -0.49 0.00 0.00 175.26 177.10 3h71 n LYS 326 N -2.84 2.38 -4.06 1.61 4.81 -1.26 -4.77 118.16 114.03 3h71 n LYS 326 Ca 0.08 0.87 -0.33 0.00 -0.87 0.00 0.00 58.31 58.06 3h71 n LYS 326 Cb 0.53 -2.69 -0.15 0.00 0.02 0.00 0.00 35.03 32.74 3h71 n LYS 326 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3h71 s THR 327 N 2.14 2.28 -0.07 3.15 2.01 -0.60 -4.95 115.64 119.60 3h71 s THR 327 Ca 0.82 -1.46 -0.30 0.00 0.31 0.00 0.00 61.69 61.07 3h71 s THR 327 Cb -0.61 -2.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 3h71 s THR 327 CO 0.40 0.07 1.24 -1.81 -0.69 0.00 0.00 174.62 173.84 3h71 s ASP 328 N 1.16 7.00 -0.25 3.53 1.01 -1.26 0.25 116.67 128.12 3h71 s ASP 328 Ca -0.06 1.83 -0.09 0.00 0.71 0.00 0.00 52.55 54.94 3h71 s ASP 328 Cb -0.19 -2.55 -0.16 0.00 1.01 0.00 0.00 42.92 41.03 3h71 s ASP 328 CO -0.06 -0.64 -0.16 -0.38 0.21 0.00 0.00 175.17 174.14 3h71 n ILE 329 N 4.78 1.54 -3.98 0.77 2.08 0.43 -4.85 119.36 120.14 3h71 n ILE 329 Ca 0.12 -0.42 -0.31 0.00 0.56 0.00 0.00 62.75 62.70 3h71 n ILE 329 Cb 0.46 -1.75 -0.15 0.00 -0.75 0.00 0.00 39.64 37.45 3h71 n ILE 329 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3h71 s PHE 330 N -2.50 2.71 -0.27 1.39 0.08 -0.88 -5.01 117.98 113.50 3h71 s PHE 330 Ca -0.35 -1.99 -0.18 0.00 0.12 0.00 0.00 56.93 54.54 3h71 s PHE 330 Cb 0.11 -1.76 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 3h71 s PHE 330 CO 0.57 -0.82 0.50 -1.21 -0.10 0.00 0.00 175.22 174.16 3h71 s GLU 331 N 1.29 4.04 0.81 0.44 2.02 -1.26 -1.23 118.70 124.81 3h71 s GLU 331 Ca -0.05 0.26 -0.12 0.00 0.02 0.00 0.00 54.97 55.08 3h71 s GLU 331 Cb -0.19 -3.66 0.08 0.00 0.10 0.00 0.00 34.13 30.46 3h71 s GLU 331 CO -0.06 -0.36 1.17 -1.54 0.02 0.00 0.00 175.26 174.48 3h71 s SER 332 N 1.57 4.48 1.04 -0.19 1.04 -1.26 -4.87 113.70 115.51 3h71 s SER 332 Ca 0.20 0.84 -0.08 0.00 0.48 0.00 0.00 55.95 57.40 3h71 s SER 332 Cb -0.16 -1.37 0.11 0.00 0.10 0.00 0.00 66.02 64.70 3h71 s SER 332 CO 0.09 -1.93 0.56 0.61 0.98 0.00 0.00 173.24 173.55 3h71 n GLY 333 N -3.15 -1.74 3.17 7.32 0.00 -0.17 -4.72 105.19 105.91 3h71 n GLY 333 Ca 0.08 -1.61 -0.18 0.00 0.00 0.00 0.00 46.02 44.30 3h71 n GLY 333 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h71 s ARG 334 N -4.24 0.82 -1.61 1.61 0.52 -1.17 -0.34 118.95 114.54 3h71 s ARG 334 Ca 0.33 -0.95 -0.16 0.00 -0.52 0.00 0.00 55.73 54.42 3h71 s ARG 334 Cb -0.02 -0.83 0.13 0.00 0.52 0.00 0.00 34.95 34.75 3h71 s ARG 334 CO 0.24 0.18 0.83 0.09 0.02 0.00 0.00 175.30 176.66 3h71 n ASN 335 N 1.28 -3.87 0.00 0.23 3.02 0.43 -0.93 115.26 115.43 3h71 n ASN 335 Ca -0.21 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.47 3h71 n ASN 335 Cb 0.54 -3.14 0.00 0.00 -0.61 0.00 0.00 39.78 36.57 3h71 n ASN 335 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h71 n GLY 336 N -1.46 0.60 3.84 7.41 0.00 -1.26 -5.04 105.19 109.28 3h71 n GLY 336 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3h71 n GLY 336 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h71 s LYS 337 N -0.07 2.97 0.67 1.61 1.02 -0.10 -5.08 119.74 120.75 3h71 s LYS 337 Ca 0.00 -1.03 -0.14 0.00 0.02 0.00 0.00 55.97 54.82 3h71 s LYS 337 Cb 0.00 -2.59 0.00 0.00 -0.52 0.00 0.00 37.83 34.72 3h71 s LYS 337 CO 0.00 0.40 1.10 -2.14 -0.92 0.00 0.00 175.35 173.79 3h71 s PRO 338 N -3.86 2.79 0.00 -1.68 0.02 -1.26 -3.04 135.00 127.97 3h71 s PRO 338 Ca 0.33 1.31 0.00 0.00 0.02 0.00 0.00 61.00 62.66 3h71 s PRO 338 Cb -0.08 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.49 3h71 s PRO 338 CO 0.25 -1.25 0.00 0.27 -0.33 0.00 0.00 177.00 175.94 3h71 n ASN 339 N -2.58 0.00 0.29 2.53 2.04 0.17 -4.64 115.26 113.07 3h71 n ASN 339 Ca 0.10 -1.00 0.19 0.00 -0.44 0.00 0.00 54.58 53.43 3h71 n ASN 339 Cb 0.52 0.00 0.98 0.00 -2.53 0.00 0.00 39.78 38.76 3h71 n ASN 339 CO 0.00 0.00 0.00 0.07 -0.44 0.00 0.00 177.26 176.89 3h71 h LYS 340 N 0.00 0.00 -0.31 -3.83 2.10 -1.92 0.27 116.57 112.88 3h71 h LYS 340 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3h71 h LYS 340 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3h71 h LYS 340 CO 0.00 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.20 3h71 n ASP 341 N -2.88 3.25 -0.01 7.07 8.00 -1.26 -4.93 116.55 125.79 3h71 n ASP 341 Ca -0.02 -1.97 -0.00 0.00 0.71 0.00 0.00 54.79 53.51 3h71 n ASP 341 Cb 0.11 -0.20 -0.00 0.00 -0.02 0.00 0.00 41.12 41.01 3h71 n ASP 341 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h71 n GLY 342 N 1.46 0.38 3.47 0.44 0.00 0.08 -5.04 105.19 105.99 3h71 n GLY 342 Ca 0.18 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 3h71 n GLY 342 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h71 s ILE 343 N -2.00 3.75 -0.04 -0.61 -1.09 -1.26 -4.71 121.20 115.23 3h71 s ILE 343 Ca 0.00 -0.41 -0.12 0.00 -2.23 0.00 0.00 60.65 57.89 3h71 s ILE 343 Cb 0.00 -2.64 -0.31 0.00 -1.58 0.00 0.00 42.46 37.93 3h71 s ILE 343 CO 0.00 0.49 0.70 0.11 -1.23 0.00 0.00 174.94 175.01 3h71 h LYS 344 N 6.75 0.40 -4.10 2.79 1.57 -1.35 0.49 116.57 123.13 3h71 h LYS 344 Ca -0.31 -0.69 -0.15 0.00 -1.87 0.00 0.00 60.65 57.64 3h71 h LYS 344 Cb 1.19 0.26 -0.18 0.00 0.08 0.00 0.00 32.23 33.58 3h71 h LYS 344 CO 0.62 1.33 -0.69 0.45 -0.57 0.00 0.00 179.45 180.59 3h71 s SER 345 N -7.31 0.36 0.01 0.86 0.15 -0.39 -1.00 113.70 106.37 3h71 s SER 345 Ca -0.16 -0.74 0.04 0.00 0.70 0.00 0.00 55.95 55.79 3h71 s SER 345 Cb 0.05 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.50 3h71 s SER 345 CO 0.86 -0.45 -0.11 -0.31 1.20 0.00 0.00 173.24 174.43 3h71 s TYR 346 N -2.65 1.01 0.25 3.44 2.02 -1.12 -0.58 117.35 119.72 3h71 s TYR 346 Ca -0.05 -0.24 -0.16 0.00 -0.37 0.00 0.00 57.07 56.25 3h71 s TYR 346 Cb -0.01 -0.63 0.01 0.00 -0.40 0.00 0.00 41.96 40.92 3h71 s TYR 346 CO -0.05 -0.01 0.56 1.03 -1.57 0.00 0.00 175.55 175.51 3h71 s ARG 347 N -0.54 1.58 -0.64 -0.62 0.52 -0.95 -0.81 118.95 117.50 3h71 s ARG 347 Ca 0.03 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.12 3h71 s ARG 347 Cb -0.05 0.52 0.00 0.00 0.52 0.00 0.00 34.95 35.94 3h71 s ARG 347 CO 0.00 -0.68 0.64 -0.89 0.02 0.00 0.00 175.30 174.38 3h71 n ILE 348 N -0.40 -9.79 -2.38 1.52 2.08 -1.26 -0.32 119.36 108.82 3h71 n ILE 348 Ca -0.04 -0.01 -0.35 0.00 0.56 0.00 0.00 62.75 62.91 3h71 n ILE 348 Cb 0.61 -6.80 -0.01 0.00 -0.75 0.00 0.00 39.64 32.69 3h71 n ILE 348 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3h71 s PRO 349 N -2.90 3.54 -0.08 0.38 0.04 -1.26 -4.07 135.00 130.65 3h71 s PRO 349 Ca 0.05 1.51 -0.03 0.00 0.04 0.00 0.00 61.00 62.57 3h71 s PRO 349 Cb -0.01 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.52 3h71 s PRO 349 CO 0.71 -0.67 0.16 0.00 0.04 0.00 0.00 177.00 177.24 3h71 s ALA 350 N -1.85 -0.27 -0.11 8.56 0.00 -0.81 -4.18 121.76 123.09 3h71 s ALA 350 Ca 0.70 0.68 0.03 0.00 0.00 0.00 0.00 51.96 53.38 3h71 s ALA 350 Cb -0.21 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.31 3h71 s ALA 350 CO 0.24 -0.30 -0.21 -1.17 0.00 0.00 0.00 175.76 174.31 3h71 s LEU 351 N 1.57 2.22 -0.07 0.00 2.96 -1.26 -0.09 118.68 124.00 3h71 s LEU 351 Ca -0.05 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 3h71 s LEU 351 Cb -0.12 -1.46 0.02 0.00 0.50 0.00 0.00 46.19 45.14 3h71 s LEU 351 CO -0.06 0.15 -0.06 -0.22 -1.32 0.00 0.00 176.35 174.84 3h71 s LEU 352 N 0.41 1.18 -0.37 -0.68 2.96 0.13 -4.75 118.68 117.57 3h71 s LEU 352 Ca -0.16 -0.19 -0.17 0.00 -0.22 0.00 0.00 54.13 53.40 3h71 s LEU 352 Cb -0.17 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 45.91 3h71 s LEU 352 CO 0.07 -0.09 0.42 -0.75 -1.32 0.00 0.00 176.35 174.69 3h71 s LYS 353 N 1.30 3.42 0.65 1.98 2.47 -1.26 -0.16 119.74 128.16 3h71 s LYS 353 Ca -0.04 -0.47 -0.06 0.00 -1.56 0.00 0.00 55.97 53.84 3h71 s LYS 353 Cb -0.14 -3.86 0.04 0.00 -1.46 0.00 0.00 37.83 32.41 3h71 s LYS 353 CO -0.03 -0.66 0.96 0.95 0.16 0.00 0.00 175.35 176.73 3h71 s THR 354 N 2.15 2.86 0.60 3.43 -4.23 0.30 -4.94 115.64 115.81 3h71 s THR 354 Ca 0.14 -0.16 0.32 0.00 -1.18 0.00 0.00 61.69 60.80 3h71 s THR 354 Cb -0.16 -3.19 0.37 0.00 1.34 0.00 0.00 72.50 70.85 3h71 s THR 354 CO 0.13 -0.20 2.27 -2.24 -0.54 0.00 0.00 174.62 174.04 3h71 h ASP 355 N -0.41 0.00 0.04 3.99 2.03 -1.95 0.12 116.42 120.24 3h71 h ASP 355 Ca -0.45 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.85 3h71 h ASP 355 Cb 1.29 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.79 3h71 h ASP 355 CO 0.60 0.00 -0.02 0.29 -1.03 0.00 0.00 179.24 179.09 3h71 n LYS 356 N -3.73 1.26 -0.01 4.15 5.02 -1.26 -4.89 118.16 118.71 3h71 n LYS 356 Ca -0.03 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 55.79 3h71 n LYS 356 Cb 0.08 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3h71 n LYS 356 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h71 n GLY 357 N 1.12 1.02 3.73 0.72 0.00 0.42 -5.04 105.19 107.15 3h71 n GLY 357 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3h71 n GLY 357 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h71 s THR 358 N -2.35 2.34 -0.19 2.61 2.01 -1.26 -4.67 115.64 114.13 3h71 s THR 358 Ca 0.00 0.18 -0.00 0.00 0.31 0.00 0.00 61.69 62.18 3h71 s THR 358 Cb 0.00 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.67 3h71 s THR 358 CO 0.00 -0.08 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.49 3h71 s LEU 359 N -4.84 2.39 -0.21 4.42 2.96 -0.19 -0.54 118.68 122.68 3h71 s LEU 359 Ca 0.76 -0.55 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 3h71 s LEU 359 Cb -0.30 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3h71 s LEU 359 CO 0.42 0.01 0.01 -0.63 -1.32 0.00 0.00 176.35 174.84 3h71 s ILE 360 N 1.28 4.00 -0.24 6.68 1.01 0.78 -0.92 121.20 133.78 3h71 s ILE 360 Ca 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 60.65 60.35 3h71 s ILE 360 Cb -0.14 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.51 3h71 s ILE 360 CO -0.08 0.41 0.00 0.00 0.00 0.00 0.00 174.94 175.27 3h71 s ALA 361 N 1.16 2.92 0.26 9.38 0.00 -0.16 -0.69 121.76 134.63 3h71 s ALA 361 Ca 0.03 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 50.83 3h71 s ALA 361 Cb -0.14 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.07 3h71 s ALA 361 CO 0.02 -0.58 0.08 0.20 0.00 0.00 0.00 175.76 175.48 3h71 s GLY 362 N 1.50 1.56 0.07 0.00 0.00 0.86 -0.83 107.32 110.48 3h71 s GLY 362 Ca 0.05 -1.54 -0.27 0.00 0.00 0.00 0.00 44.72 42.95 3h71 s GLY 362 CO -0.01 -1.60 0.99 0.00 0.00 0.00 0.00 173.10 172.48 3h71 s ALA 363 N -2.22 -1.79 -0.20 3.20 0.00 -0.35 -1.93 121.76 118.47 3h71 s ALA 363 Ca 0.32 0.54 -0.22 0.00 0.00 0.00 0.00 51.96 52.59 3h71 s ALA 363 Cb -0.07 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 3h71 s ALA 363 CO 0.22 -0.91 0.71 -0.51 0.00 0.00 0.00 175.76 175.27 3h71 s ASP 364 N -2.77 6.77 -0.73 0.00 1.11 0.57 -2.09 116.67 119.53 3h71 s ASP 364 Ca 0.10 0.94 -0.17 0.00 0.18 0.00 0.00 52.55 53.60 3h71 s ASP 364 Cb -0.01 -2.39 0.15 0.00 1.07 0.00 0.00 42.92 41.74 3h71 s ASP 364 CO -0.02 -0.35 0.80 -0.70 1.18 0.00 0.00 175.17 176.08 3h71 s GLU 365 N 2.15 3.33 -0.95 8.23 2.12 0.41 -2.25 118.70 131.73 3h71 s GLU 365 Ca 0.32 -1.79 -0.17 0.00 0.36 0.00 0.00 54.97 53.70 3h71 s GLU 365 Cb -0.16 -4.46 0.16 0.00 0.26 0.00 0.00 34.13 29.93 3h71 s GLU 365 CO 0.10 -1.50 1.09 1.03 -0.54 0.00 0.00 175.26 175.44 3h71 s ARG 366 N 1.85 3.70 0.13 4.30 0.52 0.25 -1.87 118.95 127.83 3h71 s ARG 366 Ca 0.17 -2.09 -0.23 0.00 -0.52 0.00 0.00 55.73 53.06 3h71 s ARG 366 Cb -0.16 -4.82 -0.03 0.00 0.52 0.00 0.00 34.95 30.46 3h71 s ARG 366 CO -0.02 -1.64 1.65 -0.09 0.02 0.00 0.00 175.30 175.22 3h71 h ARG 367 N 8.28 -0.25 0.00 3.54 2.43 -1.68 -1.04 114.38 125.65 3h71 h ARG 367 Ca 0.17 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 3h71 h ARG 367 Cb 1.00 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 3h71 h ARG 367 CO 1.04 -0.17 -1.04 -0.07 -1.51 0.00 0.00 179.97 178.23 3h71 h LEU 368 N -0.26 0.00 -7.81 3.80 3.38 -1.90 -1.49 115.31 111.03 3h71 h LEU 368 Ca 0.08 0.00 0.31 0.00 0.09 0.00 0.00 57.88 58.36 3h71 h LEU 368 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 3h71 h LEU 368 CO -0.24 0.55 0.83 -1.38 0.09 0.00 0.00 178.44 178.30 3h71 s HIS 369 N -2.94 0.02 -2.16 1.13 -3.43 -1.25 -4.90 115.29 101.76 3h71 s HIS 369 Ca -0.00 -0.18 0.28 0.00 -0.80 0.00 0.00 55.06 54.36 3h71 s HIS 369 Cb 0.08 0.58 1.05 0.00 -1.43 0.00 0.00 32.58 32.86 3h71 s HIS 369 CO 0.79 -0.38 1.74 0.43 -2.00 0.00 0.00 174.74 175.32 3h71 n SER 370 N -0.97 1.14 -4.75 7.38 7.64 -1.26 -4.59 113.62 118.21 3h71 n SER 370 Ca 0.00 -1.19 -0.30 0.00 1.01 0.00 0.00 58.87 58.39 3h71 n SER 370 Cb 0.60 0.03 0.11 0.00 -1.01 0.00 0.00 64.21 63.94 3h71 n SER 370 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h71 s SER 371 N -2.19 4.06 0.00 6.43 0.01 -1.26 -4.91 113.70 115.84 3h71 s SER 371 Ca 0.34 1.66 -0.04 0.00 1.31 0.00 0.00 55.95 59.22 3h71 s SER 371 Cb 0.20 -2.35 -0.16 0.00 0.21 0.00 0.00 66.02 63.92 3h71 s SER 371 CO 0.41 -2.29 2.78 0.47 0.41 0.00 0.00 173.24 175.01 3h71 n ASP 372 N -3.68 4.57 -2.91 2.44 8.00 -1.26 -4.77 116.55 118.94 3h71 n ASP 372 Ca 0.08 -2.31 -0.01 0.00 0.71 0.00 0.00 54.79 53.26 3h71 n ASP 372 Cb 0.54 -1.16 0.01 0.00 -0.02 0.00 0.00 41.12 40.50 3h71 n ASP 372 CO 0.00 0.00 0.00 -2.67 -0.39 0.00 0.00 177.20 174.14 3h71 n TRP 373 N 2.27 -0.97 -0.33 1.24 2.14 -1.26 -4.43 117.44 116.11 3h71 n TRP 373 Ca 0.26 -0.89 0.00 0.00 2.07 0.00 0.00 57.50 58.95 3h71 n TRP 373 Cb 0.69 0.43 0.00 0.00 -0.81 0.00 0.00 31.31 31.62 3h71 n TRP 373 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 3h71 n GLY 374 N -0.61 -0.94 3.46 -1.67 0.00 -1.24 -4.79 105.19 99.40 3h71 n GLY 374 Ca -0.00 -1.86 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 3h71 n GLY 374 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h71 s ASP 375 N -4.00 6.21 -0.09 1.61 2.15 -1.26 -4.51 116.67 116.78 3h71 s ASP 375 Ca 0.00 -0.87 0.02 0.00 0.43 0.00 0.00 52.55 52.14 3h71 s ASP 375 Cb 0.00 -2.41 0.01 0.00 -0.30 0.00 0.00 42.92 40.22 3h71 s ASP 375 CO 0.00 -1.34 -0.15 -0.63 -0.17 0.00 0.00 175.17 172.88 3h71 s ILE 376 N 3.88 1.40 0.00 4.11 1.01 -1.26 -2.55 121.20 127.78 3h71 s ILE 376 Ca 0.23 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.26 3h71 s ILE 376 Cb -0.16 -1.27 0.00 0.00 0.01 0.00 0.00 42.46 41.04 3h71 s ILE 376 CO 0.12 0.42 0.00 0.61 0.00 0.00 0.00 174.94 176.09 3h71 n GLY 377 N 3.92 1.76 0.00 6.18 0.00 -0.78 -4.14 105.19 112.13 3h71 n GLY 377 Ca -0.21 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3h71 n GLY 377 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3h71 n VAL 379 N 0.00 0.00 -3.97 1.61 0.24 -0.89 -0.45 118.33 114.88 3h71 n VAL 379 Ca 0.00 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.22 3h71 n VAL 379 Cb 0.00 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 3h71 n VAL 379 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3h71 s ILE 380 N -2.00 0.16 0.03 1.34 -5.25 -0.03 -1.21 121.20 114.24 3h71 s ILE 380 Ca 0.00 -1.47 0.03 0.00 -0.99 0.00 0.00 60.65 58.22 3h71 s ILE 380 Cb 0.00 -1.51 -0.02 0.00 2.95 0.00 0.00 42.46 43.88 3h71 s ILE 380 CO 0.00 -0.72 -0.09 -0.13 -1.79 0.00 0.00 174.94 172.21 3h71 s ARG 381 N -3.91 0.63 0.01 0.37 0.52 -0.01 -0.45 118.95 116.12 3h71 s ARG 381 Ca 0.08 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.77 3h71 s ARG 381 Cb 0.06 -0.55 -0.03 0.00 0.52 0.00 0.00 34.95 34.95 3h71 s ARG 381 CO -0.09 0.13 -0.13 1.03 0.02 0.00 0.00 175.30 176.26 3h71 s ARG 382 N -0.96 2.33 -0.09 3.54 0.52 -1.26 -0.99 118.95 122.05 3h71 s ARG 382 Ca -0.02 -0.83 0.02 0.00 -0.52 0.00 0.00 55.73 54.37 3h71 s ARG 382 Cb -0.07 -2.34 0.02 0.00 0.52 0.00 0.00 34.95 33.08 3h71 s ARG 382 CO 0.00 0.58 -0.13 0.45 0.02 0.00 0.00 175.30 176.22 3h71 s SER 383 N -1.28 2.12 0.00 0.23 0.15 -0.10 -0.49 113.70 114.34 3h71 s SER 383 Ca 0.15 -0.36 0.17 0.00 0.70 0.00 0.00 55.95 56.62 3h71 s SER 383 Cb -0.11 -0.94 0.33 0.00 -1.71 0.00 0.00 66.02 63.59 3h71 s SER 383 CO 0.05 0.01 1.25 -0.62 1.20 0.00 0.00 173.24 175.13 3h71 n GLU 384 N 4.13 2.21 -1.19 5.44 1.02 -1.26 -1.02 120.64 129.97 3h71 n GLU 384 Ca -0.20 -2.02 -0.05 0.00 -0.02 0.00 0.00 57.16 54.88 3h71 n GLU 384 Cb 0.51 -1.39 0.13 0.00 -0.02 0.00 0.00 31.44 30.67 3h71 n GLU 384 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3h71 n ASP 385 N 1.07 2.79 -2.44 1.62 5.68 -1.26 -4.91 116.55 119.10 3h71 n ASP 385 Ca 0.15 -3.73 -0.18 0.00 -0.50 0.00 0.00 54.79 50.53 3h71 n ASP 385 Cb 0.49 -0.45 0.03 0.00 -1.14 0.00 0.00 41.12 40.05 3h71 n ASP 385 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3h71 n ASN 386 N -0.90 -5.20 0.00 -1.12 5.15 -1.26 -3.27 115.26 108.66 3h71 n ASN 386 Ca 0.27 -0.23 0.00 0.00 -0.60 0.00 0.00 54.58 54.02 3h71 n ASN 386 Cb 0.81 -4.05 0.00 0.00 -0.53 0.00 0.00 39.78 36.01 3h71 n ASN 386 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h71 n GLY 387 N -1.37 0.51 0.29 8.20 0.00 -1.26 -4.98 105.19 106.58 3h71 n GLY 387 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 3h71 n GLY 387 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3h71 h LYS 388 N 4.48 -0.65 -5.89 1.61 1.63 -1.96 -3.46 116.57 112.34 3h71 h LYS 388 Ca 0.00 0.04 -0.51 0.00 -0.85 0.00 0.00 60.65 59.33 3h71 h LYS 388 Cb 0.00 0.15 -0.19 0.00 -0.60 0.00 0.00 32.23 31.59 3h71 h LYS 388 CO 0.00 -0.35 -0.79 0.95 -3.45 0.00 0.00 179.45 175.82 3h71 s THR 389 N -4.53 1.68 0.07 1.00 -4.23 -1.26 -5.11 115.64 103.26 3h71 s THR 389 Ca -0.14 -1.77 0.07 0.00 -1.18 0.00 0.00 61.69 58.68 3h71 s THR 389 Cb 0.02 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 3h71 s THR 389 CO 0.46 -0.26 -0.18 0.26 -0.54 0.00 0.00 174.62 174.36 3h71 s TRP 390 N -1.81 1.57 0.54 3.99 0.52 -1.26 -4.30 118.94 118.19 3h71 s TRP 390 Ca 0.12 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.78 3h71 s TRP 390 Cb -0.07 -0.90 0.12 0.00 -1.15 0.00 0.00 33.47 31.47 3h71 s TRP 390 CO 0.05 0.11 0.73 0.41 0.02 0.00 0.00 176.95 178.28 3h71 n GLY 391 N 1.49 -0.46 3.75 0.98 0.00 0.36 -4.96 105.19 106.35 3h71 n GLY 391 Ca -0.19 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 3h71 n GLY 391 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h71 s ASP 392 N -3.79 4.70 0.27 1.61 1.01 -1.26 -4.56 116.67 114.65 3h71 s ASP 392 Ca 0.44 2.17 -0.30 0.00 0.71 0.00 0.00 52.55 55.57 3h71 s ASP 392 Cb -0.02 -2.57 -0.11 0.00 1.01 0.00 0.00 42.92 41.23 3h71 s ASP 392 CO 0.30 -1.92 1.59 -0.13 0.21 0.00 0.00 175.17 175.22 3h71 s ARG 393 N -3.98 4.15 -0.19 8.23 0.52 -1.26 -4.63 118.95 121.78 3h71 s ARG 393 Ca 0.70 2.53 -0.02 0.00 -0.52 0.00 0.00 55.73 58.43 3h71 s ARG 393 Cb -0.25 -3.05 -0.00 0.00 0.52 0.00 0.00 34.95 32.18 3h71 s ARG 393 CO 0.43 -0.62 -0.11 0.08 0.02 0.00 0.00 175.30 175.10 3h71 s VAL 394 N 0.19 2.91 -0.24 3.52 1.01 0.40 -4.97 120.40 123.21 3h71 s VAL 394 Ca 0.64 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.79 3h71 s VAL 394 Cb -0.47 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 3h71 s VAL 394 CO 0.45 0.48 0.48 -0.89 0.00 0.00 0.00 175.10 175.62 3h71 s THR 395 N 1.23 5.11 -0.12 3.92 2.01 -1.26 -0.85 115.64 125.68 3h71 s THR 395 Ca 0.03 0.84 -0.25 0.00 0.31 0.00 0.00 61.69 62.62 3h71 s THR 395 Cb -0.14 -3.80 -0.22 0.00 0.01 0.00 0.00 72.50 68.35 3h71 s THR 395 CO -0.05 0.14 0.72 0.40 -0.69 0.00 0.00 174.62 175.14 3h71 h ILE 396 N 5.28 1.51 -2.83 1.82 2.04 -1.93 -3.41 117.51 119.99 3h71 h ILE 396 Ca -0.31 -2.04 -0.14 0.00 1.00 0.00 0.00 64.86 63.37 3h71 h ILE 396 Cb 1.15 2.80 -0.26 0.00 -0.74 0.00 0.00 36.82 39.77 3h71 h ILE 396 CO 0.71 0.49 -0.32 -0.89 0.00 0.00 0.00 178.15 178.14 3h71 s THR 397 N -2.35 -0.01 -0.32 -0.27 2.01 -1.26 -4.68 115.64 108.76 3h71 s THR 397 Ca -0.16 0.05 0.04 0.00 0.31 0.00 0.00 61.69 61.92 3h71 s THR 397 Cb -0.02 -0.52 0.17 0.00 0.01 0.00 0.00 72.50 72.14 3h71 s THR 397 CO 0.59 0.02 0.47 0.21 -0.69 0.00 0.00 174.62 175.22 3h71 s ASN 398 N 0.69 -0.09 0.33 3.53 3.84 -0.12 -4.50 114.94 118.62 3h71 s ASN 398 Ca -0.04 -0.56 -0.29 0.00 0.21 0.00 0.00 52.86 52.18 3h71 s ASN 398 Cb -0.05 1.29 -0.10 0.00 -0.55 0.00 0.00 41.25 41.83 3h71 s ASN 398 CO -0.05 -0.30 1.37 -0.76 -2.79 0.00 0.00 177.10 174.58 3h71 s LEU 399 N 2.29 4.39 0.49 3.21 1.43 -1.26 -3.81 118.68 125.42 3h71 s LEU 399 Ca 0.12 2.77 -0.22 0.00 -1.03 0.00 0.00 54.13 55.77 3h71 s LEU 399 Cb -0.11 -3.65 -0.07 0.00 0.03 0.00 0.00 46.19 42.39 3h71 s LEU 399 CO -0.21 -0.65 1.18 0.00 0.23 0.00 0.00 176.35 176.90 3h71 s ARG 400 N -1.60 3.59 0.72 1.70 1.70 -1.19 -4.80 118.95 119.06 3h71 s ARG 400 Ca 0.52 1.80 -0.11 0.00 -0.47 0.00 0.00 55.73 57.47 3h71 s ARG 400 Cb -0.42 -2.31 0.02 0.00 -0.57 0.00 0.00 34.95 31.68 3h71 s ARG 400 CO 0.54 -0.70 1.08 0.16 -1.08 0.00 0.00 175.30 175.29 3h71 s ASP 401 N -1.39 5.20 -0.52 -2.89 -4.77 -1.26 -4.38 116.67 106.66 3h71 s ASP 401 Ca 0.67 1.39 -0.28 0.00 -3.30 0.00 0.00 52.55 51.02 3h71 s ASP 401 Cb -0.29 -2.22 0.03 0.00 -1.09 0.00 0.00 42.92 39.35 3h71 s ASP 401 CO 0.35 -1.53 1.12 0.21 0.70 0.00 0.00 175.17 176.02 3h71 s ASN 402 N -4.00 6.54 0.53 2.11 3.84 -0.22 -4.88 114.94 118.86 3h71 s ASN 402 Ca 0.59 0.25 0.36 0.00 0.21 0.00 0.00 52.86 54.26 3h71 s ASN 402 Cb -0.13 -2.53 1.91 0.00 -0.55 0.00 0.00 41.25 39.95 3h71 s ASN 402 CO 0.54 -1.31 2.09 1.55 -2.79 0.00 0.00 177.10 177.18 3h71 h PRO 403 N 9.33 0.00 -0.21 0.43 0.13 -1.93 -2.22 132.00 137.52 3h71 h PRO 403 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3h71 h PRO 403 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3h71 h PRO 403 CO 1.14 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.54 3h71 n LYS 404 N -2.76 2.15 -1.89 0.86 4.76 -1.26 -4.98 118.16 115.03 3h71 n LYS 404 Ca -0.02 -1.98 -0.41 0.00 -2.87 0.00 0.00 58.31 53.03 3h71 n LYS 404 Cb 0.07 -1.43 -0.01 0.00 -1.84 0.00 0.00 35.03 31.82 3h71 n LYS 404 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3h71 s ALA 405 N -1.51 3.60 0.23 7.82 0.00 -0.84 -4.77 121.76 126.29 3h71 s ALA 405 Ca 0.30 1.47 -0.02 0.00 0.00 0.00 0.00 51.96 53.71 3h71 s ALA 405 Cb 0.19 -3.58 0.23 0.00 0.00 0.00 0.00 23.12 19.95 3h71 s ALA 405 CO 0.27 -0.91 1.63 0.77 0.00 0.00 0.00 175.76 177.52 3h71 h SER 406 N 3.79 0.67 -3.76 0.00 0.02 -1.93 -3.39 113.55 108.94 3h71 h SER 406 Ca -0.49 -0.26 -0.67 0.00 -0.84 0.00 0.00 61.79 59.53 3h71 h SER 406 Cb 1.23 -0.18 -0.38 0.00 0.14 0.00 0.00 62.40 63.21 3h71 h SER 406 CO 0.70 0.93 -0.74 -0.62 -1.14 0.00 0.00 176.83 175.95 3h71 s ASP 407 N -6.80 4.67 0.58 3.07 -1.08 -1.26 -4.99 116.67 110.85 3h71 s ASP 407 Ca -0.08 -1.75 0.30 0.00 -0.52 0.00 0.00 52.55 50.50 3h71 s ASP 407 Cb 0.13 -1.61 1.78 0.00 -1.46 0.00 0.00 42.92 41.76 3h71 s ASP 407 CO 0.82 -0.30 2.22 1.55 0.52 0.00 0.00 175.17 179.99 3h71 h PRO 408 N 7.74 0.00 0.00 4.34 0.13 -1.92 -0.21 132.00 142.07 3h71 h PRO 408 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3h71 h PRO 408 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 3h71 h PRO 408 CO 0.50 0.03 0.00 0.77 -0.23 0.00 0.00 178.00 179.07 3h71 h SER 409 N 0.00 0.00 0.00 1.44 0.02 -1.97 -2.06 113.55 110.98 3h71 h SER 409 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3h71 h SER 409 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 3h71 h SER 409 CO 0.00 0.00 -0.30 2.30 -1.14 0.00 0.00 176.83 177.69 3h71 n ILE 410 N -2.97 0.66 -1.02 3.27 -5.35 -0.92 -3.66 119.36 109.37 3h71 n ILE 410 Ca -0.01 -0.79 -0.19 0.00 -0.27 0.00 0.00 62.75 61.49 3h71 n ILE 410 Cb 0.18 0.26 0.19 0.00 -1.74 0.00 0.00 39.64 38.54 3h71 n ILE 410 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3h71 n GLY 411 N -0.50 4.16 3.01 3.28 0.00 -0.14 -2.96 105.19 112.04 3h71 n GLY 411 Ca 0.05 -0.99 -0.11 0.00 0.00 0.00 0.00 46.02 44.98 3h71 n GLY 411 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3h71 s SER 412 N -1.08 0.03 0.66 1.61 0.15 -1.26 -1.06 113.70 112.76 3h71 s SER 412 Ca 0.52 -0.12 -0.18 0.00 0.70 0.00 0.00 55.95 56.88 3h71 s SER 412 Cb 0.44 0.17 -0.00 0.00 -1.71 0.00 0.00 66.02 64.91 3h71 s SER 412 CO 0.11 -0.21 1.29 -2.84 1.20 0.00 0.00 173.24 172.79 3h71 s PRO 413 N -0.79 2.45 0.02 5.44 0.02 -1.26 -3.79 135.00 137.08 3h71 s PRO 413 Ca -0.09 2.05 0.09 0.00 0.02 0.00 0.00 61.00 63.07 3h71 s PRO 413 Cb -0.05 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.61 3h71 s PRO 413 CO 0.00 -1.67 -0.26 0.08 -0.33 0.00 0.00 177.00 174.82 3h71 s VAL 414 N -1.45 2.15 -0.02 3.83 1.01 0.21 -4.67 120.40 121.44 3h71 s VAL 414 Ca 0.82 -1.29 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3h71 s VAL 414 Cb -0.37 -1.81 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3h71 s VAL 414 CO 0.41 0.44 -0.17 0.20 0.00 0.00 0.00 175.10 175.97 3h71 s ASN 415 N -1.04 2.08 -0.15 3.32 0.01 -1.26 -0.20 114.94 117.71 3h71 s ASN 415 Ca 0.11 -0.33 -0.29 0.00 -0.71 0.00 0.00 52.86 51.65 3h71 s ASN 415 Cb -0.10 -0.36 0.08 0.00 0.41 0.00 0.00 41.25 41.28 3h71 s ASN 415 CO 0.01 0.19 0.74 -0.51 -1.51 0.00 0.00 177.10 176.03 3h71 s ILE 416 N -0.25 0.00 0.54 0.60 2.07 -0.97 -4.62 121.20 118.56 3h71 s ILE 416 Ca 0.03 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.27 3h71 s ILE 416 Cb -0.08 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.51 3h71 s ILE 416 CO 0.00 0.00 0.00 0.47 -1.91 0.00 0.00 174.94 173.50 3h71 n ASP 417 N 1.56 -7.16 -3.62 4.50 8.00 -1.26 -1.14 116.55 117.43 3h71 n ASP 417 Ca -0.16 1.47 -0.04 0.00 0.71 0.00 0.00 54.79 56.77 3h71 n ASP 417 Cb 0.56 -4.36 -0.06 0.00 -0.02 0.00 0.00 41.12 37.24 3h71 n ASP 417 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3h71 s VAL 419 N -4.70 -0.15 0.11 2.53 1.01 0.42 -3.04 120.40 116.58 3h71 s VAL 419 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3h71 s VAL 419 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3h71 s VAL 419 CO 0.00 0.00 0.07 -0.76 0.00 0.00 0.00 175.10 174.41 3h71 s LEU 420 N 1.73 3.71 -0.22 3.92 1.43 -0.62 -1.20 118.68 127.42 3h71 s LEU 420 Ca -0.09 -0.09 -0.28 0.00 -1.03 0.00 0.00 54.13 52.64 3h71 s LEU 420 Cb -0.05 -2.38 0.14 0.00 0.03 0.00 0.00 46.19 43.93 3h71 s LEU 420 CO -0.18 0.14 1.09 0.54 0.23 0.00 0.00 176.35 178.18 3h71 s VAL 421 N -1.48 0.00 -0.05 -1.59 0.11 -0.94 -0.29 120.40 116.17 3h71 s VAL 421 Ca 0.29 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.40 3h71 s VAL 421 Cb -0.11 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.72 3h71 s VAL 421 CO 0.21 0.00 -0.24 -1.58 -3.33 0.00 0.00 175.10 170.17 3h71 s GLN 422 N -0.61 2.28 -0.28 1.54 0.74 -1.26 -0.60 119.66 121.47 3h71 s GLN 422 Ca 0.02 -0.85 -0.29 0.00 0.05 0.00 0.00 55.36 54.29 3h71 s GLN 422 Cb -0.02 -2.00 0.01 0.00 1.10 0.00 0.00 33.01 32.09 3h71 s GLN 422 CO -0.03 0.40 1.15 0.34 -0.55 0.00 0.00 175.29 176.59 3h71 s ASP 423 N -0.24 6.90 0.51 6.67 -1.08 -0.37 -4.84 116.67 124.23 3h71 s ASP 423 Ca -0.00 1.23 0.34 0.00 -0.52 0.00 0.00 52.55 53.60 3h71 s ASP 423 Cb -0.12 -2.54 1.81 0.00 -1.46 0.00 0.00 42.92 40.61 3h71 s ASP 423 CO 0.02 -0.88 2.05 1.55 0.52 0.00 0.00 175.17 178.44 3h71 h PRO 424 N 8.28 0.00 0.00 4.34 0.13 -1.95 0.19 132.00 143.00 3h71 h PRO 424 Ca -0.22 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.85 3h71 h PRO 424 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3h71 h PRO 424 CO 1.02 0.00 -0.86 -1.91 -0.23 0.00 0.00 178.00 176.02 3h71 n GLU 425 N -2.74 0.50 0.22 0.86 2.13 -1.26 -4.49 120.64 115.85 3h71 n GLU 425 Ca -0.02 0.42 0.10 0.00 0.66 0.00 0.00 57.16 58.32 3h71 n GLU 425 Cb 0.09 -1.61 0.33 0.00 0.27 0.00 0.00 31.44 30.53 3h71 n GLU 425 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 3h71 h THR 426 N -1.00 0.36 0.00 6.31 1.35 -1.99 -3.46 112.91 114.48 3h71 h THR 426 Ca -0.08 -1.20 0.00 0.00 -0.55 0.00 0.00 66.41 64.58 3h71 h THR 426 Cb 0.81 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3h71 h THR 426 CO -0.05 0.17 0.00 0.29 -0.25 0.00 0.00 175.52 175.69 3h71 n LYS 427 N -3.22 -0.12 -2.20 4.72 4.76 0.68 -4.99 118.16 117.78 3h71 n LYS 427 Ca 0.02 0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.08 3h71 n LYS 427 Cb 0.50 -3.08 -0.03 0.00 -1.84 0.00 0.00 35.03 30.58 3h71 n LYS 427 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3h71 s ARG 428 N -0.28 4.41 -0.16 1.97 3.52 -1.25 -4.72 118.95 122.44 3h71 s ARG 428 Ca 0.00 2.10 -0.05 0.00 -0.13 0.00 0.00 55.73 57.64 3h71 s ARG 428 Cb 0.00 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 3h71 s ARG 428 CO 0.00 -0.16 0.02 0.42 -0.81 0.00 0.00 175.30 174.77 3h71 s ILE 429 N -0.63 4.39 -0.01 4.11 1.01 -0.24 -1.23 121.20 128.59 3h71 s ILE 429 Ca 0.51 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 61.03 3h71 s ILE 429 Cb -0.37 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 3h71 s ILE 429 CO 0.45 0.49 -0.14 -0.36 0.00 0.00 0.00 174.94 175.39 3h71 s PHE 430 N 0.19 2.69 -0.19 3.97 0.08 0.23 -0.44 117.98 124.52 3h71 s PHE 430 Ca 0.01 -0.16 0.01 0.00 0.12 0.00 0.00 56.93 56.91 3h71 s PHE 430 Cb -0.13 -1.57 0.04 0.00 -0.57 0.00 0.00 43.02 40.79 3h71 s PHE 430 CO 0.02 0.25 -0.09 0.45 -0.10 0.00 0.00 175.22 175.74 3h71 s SER 431 N -1.13 3.23 -0.13 1.36 0.15 -0.01 -2.22 113.70 114.96 3h71 s SER 431 Ca 0.14 -0.82 0.00 0.00 0.70 0.00 0.00 55.95 55.97 3h71 s SER 431 Cb -0.11 -1.16 -0.01 0.00 -1.71 0.00 0.00 66.02 63.03 3h71 s SER 431 CO 0.04 -0.15 -0.14 -0.63 1.20 0.00 0.00 173.24 173.56 3h71 s ILE 432 N 1.45 2.88 0.21 6.45 1.01 -0.34 -1.34 121.20 131.51 3h71 s ILE 432 Ca -0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 3h71 s ILE 432 Cb -0.16 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 3h71 s ILE 432 CO -0.08 0.52 0.31 -0.72 0.00 0.00 0.00 174.94 174.97 3h71 s TYR 433 N 0.45 0.62 0.00 3.97 -0.85 -0.30 -0.44 117.35 120.80 3h71 s TYR 433 Ca -0.10 -0.94 0.00 0.00 -0.52 0.00 0.00 57.07 55.51 3h71 s TYR 433 Cb -0.16 -0.12 0.00 0.00 0.38 0.00 0.00 41.96 42.06 3h71 s TYR 433 CO 0.05 -0.80 0.00 -0.25 -1.52 0.00 0.00 175.55 173.03 3h71 n ASP 434 N -0.29 0.00 0.00 -0.18 8.00 -0.29 -0.49 116.55 123.30 3h71 n ASP 434 Ca -0.02 -0.53 0.00 0.00 0.71 0.00 0.00 54.79 54.95 3h71 n ASP 434 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.73 3h71 n ASP 434 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3h71 n PHE 436 N -1.03 0.00 -1.45 1.24 3.72 0.72 -2.30 117.46 118.36 3h71 n PHE 436 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 3h71 n PHE 436 Cb 0.00 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.74 3h71 n PHE 436 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3h71 s PRO 437 N -1.50 -0.16 0.06 -1.08 0.04 -1.26 0.63 135.00 131.72 3h71 s PRO 437 Ca 0.00 -0.12 -0.38 0.00 0.04 0.00 0.00 61.00 60.55 3h71 s PRO 437 Cb 0.00 -1.72 -0.18 0.00 0.04 0.00 0.00 34.50 32.63 3h71 s PRO 437 CO 0.00 -3.00 1.15 -1.91 0.04 0.00 0.00 177.00 173.28 3h71 n GLU 438 N -4.24 0.52 -1.11 4.56 2.13 -0.09 -4.22 120.64 118.19 3h71 n GLU 438 Ca 0.13 0.19 0.00 0.00 0.66 0.00 0.00 57.16 58.13 3h71 n GLU 438 Cb 0.59 -1.72 0.00 0.00 0.27 0.00 0.00 31.44 30.59 3h71 n GLU 438 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h71 n GLY 439 N 1.94 0.28 2.15 8.31 0.00 -1.15 -4.65 105.19 112.07 3h71 n GLY 439 Ca 0.19 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 3h71 n GLY 439 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h71 n LYS 440 N 0.00 2.23 0.00 1.61 5.02 -1.26 -4.27 118.16 121.49 3h71 n LYS 440 Ca 0.00 -2.80 0.00 0.00 -2.02 0.00 0.00 58.31 53.49 3h71 n LYS 440 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 35.03 32.91 3h71 n LYS 440 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h71 n GLY 441 N -0.94 2.78 0.22 0.72 0.00 -1.26 -1.47 105.19 105.25 3h71 n GLY 441 Ca 0.55 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.59 3h71 n GLY 441 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3h71 h ILE 442 N 0.00 0.00 -0.56 -0.61 2.10 -1.97 -1.40 117.51 115.08 3h71 h ILE 442 Ca 0.00 -0.20 0.00 0.00 1.08 0.00 0.00 64.86 65.74 3h71 h ILE 442 Cb 0.00 1.00 0.00 0.00 -1.09 0.00 0.00 36.82 36.73 3h71 h ILE 442 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.56 3h71 n PHE 443 N -2.64 1.26 -3.84 2.19 3.01 -0.54 -5.04 117.46 111.87 3h71 n PHE 443 Ca -0.00 -0.50 -0.27 0.00 1.01 0.00 0.00 57.45 57.69 3h71 n PHE 443 Cb 0.17 -0.21 -0.17 0.00 -0.01 0.00 0.00 39.48 39.26 3h71 n PHE 443 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3h71 s GLY 444 N -0.84 0.78 0.24 1.37 0.00 -0.53 -4.88 107.32 103.46 3h71 s GLY 444 Ca 0.43 -0.59 0.07 0.00 0.00 0.00 0.00 44.72 44.64 3h71 s GLY 444 CO 0.21 1.04 -0.11 -0.45 0.00 0.00 0.00 173.10 173.80 3h71 s SER 446 N 1.76 2.70 0.08 1.64 0.15 -1.26 -4.87 113.70 113.90 3h71 s SER 446 Ca 0.02 -1.10 0.05 0.00 0.70 0.00 0.00 55.95 55.63 3h71 s SER 446 Cb -0.14 -0.16 -0.23 0.00 -1.71 0.00 0.00 66.02 63.78 3h71 s SER 446 CO -0.07 -0.24 1.13 -1.28 1.20 0.00 0.00 173.24 173.97 3h71 h SER 447 N 2.42 0.10 -3.35 5.45 0.87 -2.02 -3.45 113.55 113.57 3h71 h SER 447 Ca -0.39 -0.11 -0.65 0.00 -1.23 0.00 0.00 61.79 59.41 3h71 h SER 447 Cb 1.23 -0.03 -0.19 0.00 -0.44 0.00 0.00 62.40 62.97 3h71 h SER 447 CO 0.64 1.09 -0.65 -1.10 -0.53 0.00 0.00 176.83 176.29 3h71 s GLN 448 N -2.68 3.43 0.39 2.24 -1.52 -1.26 -5.09 119.66 115.18 3h71 s GLN 448 Ca -0.02 -0.47 -0.26 0.00 -1.95 0.00 0.00 55.36 52.66 3h71 s GLN 448 Cb 0.09 -2.88 -0.09 0.00 -0.22 0.00 0.00 33.01 29.91 3h71 s GLN 448 CO 0.83 0.41 1.28 0.21 -0.25 0.00 0.00 175.29 177.78 3h71 s LYS 449 N -0.08 4.04 -0.14 2.91 2.20 -1.26 -5.03 119.74 122.37 3h71 s LYS 449 Ca 0.03 2.12 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 3h71 s LYS 449 Cb -0.13 -2.80 0.02 0.00 -1.51 0.00 0.00 37.83 33.42 3h71 s LYS 449 CO 0.02 -0.42 -0.13 -1.21 -0.36 0.00 0.00 175.35 173.25 3h71 s GLU 450 N -2.17 2.20 0.20 4.03 2.02 -1.26 -5.10 118.70 118.62 3h71 s GLU 450 Ca 0.56 -0.52 -0.32 0.00 0.02 0.00 0.00 54.97 54.70 3h71 s GLU 450 Cb -0.37 -2.03 -0.13 0.00 0.10 0.00 0.00 34.13 31.71 3h71 s GLU 450 CO 0.48 -0.23 1.66 0.39 0.02 0.00 0.00 175.26 177.59 3h71 n GLU 451 N 4.75 2.56 -0.02 1.61 -0.58 -1.26 -4.78 120.64 122.92 3h71 n GLU 451 Ca -0.17 0.92 0.09 0.00 -0.42 0.00 0.00 57.16 57.58 3h71 n GLU 451 Cb 0.50 -2.74 -0.17 0.00 -0.57 0.00 0.00 31.44 28.47 3h71 n GLU 451 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3h71 n ALA 452 N 3.64 2.67 -2.14 0.62 0.00 -1.26 -4.63 120.51 119.41 3h71 n ALA 452 Ca 0.16 -0.60 -0.09 0.00 0.00 0.00 0.00 53.44 52.91 3h71 n ALA 452 Cb 0.33 -0.68 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 3h71 n ALA 452 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h71 s TYR 453 N -3.40 0.76 -0.06 0.00 1.51 -1.26 -0.83 117.35 114.07 3h71 s TYR 453 Ca -0.08 -1.04 -0.03 0.00 -1.01 0.00 0.00 57.07 54.91 3h71 s TYR 453 Cb 0.13 -0.48 0.03 0.00 -0.11 0.00 0.00 41.96 41.54 3h71 s TYR 453 CO 0.89 -0.31 0.14 0.21 -1.11 0.00 0.00 175.55 175.37 3h71 s LYS 454 N -3.91 0.10 -0.24 -0.62 2.20 -0.31 -4.86 119.74 112.11 3h71 s LYS 454 Ca 0.13 0.31 -0.16 0.00 -0.36 0.00 0.00 55.97 55.89 3h71 s LYS 454 Cb 0.07 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 3h71 s LYS 454 CO -0.05 -0.13 0.42 0.21 -0.36 0.00 0.00 175.35 175.45 3h71 s LYS 455 N 0.87 4.10 -0.22 4.03 2.20 -1.26 -1.09 119.74 128.37 3h71 s LYS 455 Ca -0.07 0.19 0.01 0.00 -0.36 0.00 0.00 55.97 55.74 3h71 s LYS 455 Cb -0.09 -3.60 0.05 0.00 -1.51 0.00 0.00 37.83 32.68 3h71 s LYS 455 CO -0.04 -0.20 -0.11 0.42 -0.36 0.00 0.00 175.35 175.06 3h71 s ILE 456 N 1.81 1.83 -1.49 5.43 1.01 0.17 -4.78 121.20 125.19 3h71 s ILE 456 Ca 0.18 -1.21 -0.08 0.00 0.00 0.00 0.00 60.65 59.54 3h71 s ILE 456 Cb -0.15 -1.91 0.06 0.00 0.01 0.00 0.00 42.46 40.47 3h71 s ILE 456 CO 0.09 0.12 0.74 -0.67 0.00 0.00 0.00 174.94 175.22 3h71 n ASP 457 N 4.60 -2.60 0.00 3.58 2.03 -1.26 -1.41 116.55 121.48 3h71 n ASP 457 Ca -0.15 -0.89 0.00 0.00 0.52 0.00 0.00 54.79 54.27 3h71 n ASP 457 Cb 0.45 -3.49 0.00 0.00 -0.72 0.00 0.00 41.12 37.36 3h71 n ASP 457 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h71 n GLY 458 N -1.68 1.41 3.55 0.27 0.00 -1.26 -5.04 105.19 102.44 3h71 n GLY 458 Ca -0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 3h71 n GLY 458 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h71 s LYS 459 N -0.48 3.29 -0.24 1.61 -0.14 -0.50 -5.09 119.74 118.19 3h71 s LYS 459 Ca 0.00 -0.51 -0.15 0.00 -1.36 0.00 0.00 55.97 53.95 3h71 s LYS 459 Cb 0.00 -2.80 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 3h71 s LYS 459 CO 0.00 0.44 0.37 0.99 -0.76 0.00 0.00 175.35 176.40 3h71 s THR 460 N -0.19 5.19 0.06 2.17 2.01 -1.26 0.42 115.64 124.04 3h71 s THR 460 Ca 0.03 0.62 0.09 0.00 0.31 0.00 0.00 61.69 62.74 3h71 s THR 460 Cb -0.13 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 3h71 s THR 460 CO 0.02 0.21 -0.25 -0.31 -0.69 0.00 0.00 174.62 173.61 3h71 s TYR 461 N 1.65 2.37 0.26 4.92 2.02 -0.25 -4.96 117.35 123.37 3h71 s TYR 461 Ca 0.17 -0.38 -0.30 0.00 -0.37 0.00 0.00 57.07 56.19 3h71 s TYR 461 Cb -0.15 -1.39 -0.09 0.00 -0.40 0.00 0.00 41.96 39.93 3h71 s TYR 461 CO 0.08 0.18 1.01 -1.14 -1.57 0.00 0.00 175.55 174.12 3h71 s GLN 462 N -1.39 4.74 0.37 -0.62 0.74 -1.26 -1.16 119.66 121.08 3h71 s GLN 462 Ca 0.13 1.62 -0.13 0.00 0.05 0.00 0.00 55.36 57.03 3h71 s GLN 462 Cb -0.10 -3.21 -0.08 0.00 1.10 0.00 0.00 33.01 30.72 3h71 s GLN 462 CO 0.03 0.37 0.76 0.42 -0.55 0.00 0.00 175.29 176.32 3h71 s ILE 463 N -1.19 4.72 -0.02 -2.34 1.01 -0.01 -1.30 121.20 122.06 3h71 s ILE 463 Ca 0.43 0.81 0.03 0.00 0.00 0.00 0.00 60.65 61.93 3h71 s ILE 463 Cb -0.28 -3.67 -0.00 0.00 0.01 0.00 0.00 42.46 38.51 3h71 s ILE 463 CO 0.36 -0.36 -0.12 -0.76 0.00 0.00 0.00 174.94 174.06 3h71 s LEU 464 N -3.42 1.92 -0.02 2.97 1.43 -0.50 -4.24 118.68 116.82 3h71 s LEU 464 Ca 0.53 -0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 3h71 s LEU 464 Cb -0.10 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 3h71 s LEU 464 CO 0.24 0.12 -0.05 -0.31 0.23 0.00 0.00 176.35 176.58 3h71 s TYR 465 N -0.06 2.96 -0.14 0.29 2.02 0.73 -1.35 117.35 121.79 3h71 s TYR 465 Ca 0.01 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.74 3h71 s TYR 465 Cb -0.07 -1.66 0.02 0.00 -0.40 0.00 0.00 41.96 39.85 3h71 s TYR 465 CO 0.00 0.39 -0.17 0.50 -1.57 0.00 0.00 175.55 174.70 3h71 s ARG 466 N -1.26 2.52 0.28 -0.62 3.52 -1.26 -1.92 118.95 120.20 3h71 s ARG 466 Ca 0.16 -0.65 -0.30 0.00 -0.13 0.00 0.00 55.73 54.81 3h71 s ARG 466 Cb -0.11 -2.18 -0.13 0.00 -1.56 0.00 0.00 34.95 30.96 3h71 s ARG 466 CO 0.06 -0.15 1.24 -1.91 -0.81 0.00 0.00 175.30 173.74 3h71 n GLU 467 N 4.47 1.80 0.00 5.12 2.13 -1.26 -1.60 120.64 131.30 3h71 n GLU 467 Ca -0.19 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.27 3h71 n GLU 467 Cb 0.51 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.04 3h71 n GLU 467 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3h71 n GLY 468 N 1.47 1.98 3.25 8.31 0.00 -1.26 -5.02 105.19 113.92 3h71 n GLY 468 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3h71 n GLY 468 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h71 s GLU 469 N -0.56 2.74 0.07 1.61 2.02 -0.63 -5.03 118.70 118.92 3h71 s GLU 469 Ca 0.00 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.10 3h71 s GLU 469 Cb 0.00 -2.22 -0.26 0.00 0.10 0.00 0.00 34.13 31.75 3h71 s GLU 469 CO 0.00 0.31 1.11 -0.22 0.02 0.00 0.00 175.26 176.48 3h71 h LYS 470 N 6.30 0.18 -7.20 1.61 3.64 -1.96 -3.40 116.57 115.74 3h71 h LYS 470 Ca -0.27 -0.30 -0.53 0.00 -1.27 0.00 0.00 60.65 58.27 3h71 h LYS 470 Cb 1.20 0.11 0.17 0.00 -0.41 0.00 0.00 32.23 33.31 3h71 h LYS 470 CO 0.47 1.10 0.36 0.20 -2.27 0.00 0.00 179.45 179.31 3h71 s GLY 471 N -4.74 2.21 -0.32 5.01 0.00 -1.26 -5.00 107.32 103.21 3h71 s GLY 471 Ca -0.03 0.85 -0.15 0.00 0.00 0.00 0.00 44.72 45.39 3h71 s GLY 471 CO 0.86 1.27 0.34 0.00 0.00 0.00 0.00 173.10 175.57 3h71 s ALA 472 N -2.11 3.51 0.71 3.20 0.00 -1.26 -4.70 121.76 121.11 3h71 s ALA 472 Ca 0.73 -1.12 -0.11 0.00 0.00 0.00 0.00 51.96 51.46 3h71 s ALA 472 Cb -0.29 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.09 3h71 s ALA 472 CO 0.49 -0.93 1.10 0.71 0.00 0.00 0.00 175.76 177.13 3h71 s TYR 473 N 1.99 3.31 0.03 0.00 1.51 -0.46 -3.68 117.35 120.04 3h71 s TYR 473 Ca 0.12 1.02 0.02 0.00 -1.01 0.00 0.00 57.07 57.22 3h71 s TYR 473 Cb -0.16 -3.08 -0.02 0.00 -0.11 0.00 0.00 41.96 38.59 3h71 s TYR 473 CO 0.11 -1.20 -0.07 0.95 -1.11 0.00 0.00 175.55 174.23 3h71 s THR 474 N -3.36 0.50 -0.44 -0.71 -4.23 -0.47 -1.41 115.64 105.52 3h71 s THR 474 Ca 0.58 -0.78 -0.18 0.00 -1.18 0.00 0.00 61.69 60.13 3h71 s THR 474 Cb -0.11 -0.52 0.03 0.00 1.34 0.00 0.00 72.50 73.24 3h71 s THR 474 CO 0.51 -0.21 0.50 -0.63 -0.54 0.00 0.00 174.62 174.26 3h71 s ILE 475 N -0.94 5.02 0.00 2.99 1.01 -0.42 -0.62 121.20 128.23 3h71 s ILE 475 Ca -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.23 3h71 s ILE 475 Cb -0.07 -4.12 0.00 0.00 0.01 0.00 0.00 42.46 38.28 3h71 s ILE 475 CO 0.00 -0.53 0.00 0.54 0.00 0.00 0.00 174.94 174.95 3h71 n ARG 476 N 5.78 3.39 -1.58 2.79 1.74 -0.46 -4.11 116.66 124.20 3h71 n ARG 476 Ca -0.07 0.00 -0.46 0.00 -0.77 0.00 0.00 57.85 56.55 3h71 n ARG 476 Cb 0.47 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.88 3h71 n ARG 476 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3h71 n GLU 477 N 0.00 1.22 -0.84 5.56 4.71 -1.26 -0.60 120.64 129.44 3h71 n GLU 477 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 57.16 57.58 3h71 n GLU 477 Cb 0.00 -1.82 0.00 0.00 -1.01 0.00 0.00 31.44 28.61 3h71 n GLU 477 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3h71 n ASN 478 N 1.54 -2.63 0.00 1.62 3.02 -1.26 -2.40 115.26 115.15 3h71 n ASN 478 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 3h71 n ASN 478 Cb 0.29 -2.13 0.00 0.00 -0.61 0.00 0.00 39.78 37.34 3h71 n ASN 478 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h71 n GLY 479 N -1.11 0.79 3.72 7.41 0.00 0.23 -4.73 105.19 111.51 3h71 n GLY 479 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3h71 n GLY 479 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h71 s THR 480 N -2.99 2.36 -0.15 2.61 2.01 -1.01 -0.32 115.64 118.15 3h71 s THR 480 Ca 0.00 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.03 3h71 s THR 480 Cb 0.00 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.32 3h71 s THR 480 CO 0.00 0.02 0.76 -0.69 -0.69 0.00 0.00 174.62 174.02 3h71 s VAL 481 N 1.08 4.95 0.02 3.82 1.01 -0.31 -1.36 120.40 129.61 3h71 s VAL 481 Ca 0.71 1.49 0.01 0.00 0.00 0.00 0.00 61.98 64.20 3h71 s VAL 481 Cb -0.46 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 31.81 3h71 s VAL 481 CO 0.32 0.10 0.04 -0.31 0.00 0.00 0.00 175.10 175.25 3h71 s TYR 482 N 1.78 3.15 0.88 5.22 1.51 0.21 -1.11 117.35 128.99 3h71 s TYR 482 Ca 0.36 0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 56.41 3h71 s TYR 482 Cb -0.17 -1.67 0.12 0.00 -0.11 0.00 0.00 41.96 40.13 3h71 s TYR 482 CO 0.13 0.50 1.09 0.95 -1.11 0.00 0.00 175.55 177.12 3h71 s THR 483 N -1.18 2.70 0.41 -0.71 -4.23 0.17 -1.36 115.64 111.44 3h71 s THR 483 Ca 0.22 0.23 0.13 0.00 -1.18 0.00 0.00 61.69 61.09 3h71 s THR 483 Cb -0.12 -2.74 0.33 0.00 1.34 0.00 0.00 72.50 71.32 3h71 s THR 483 CO 0.14 -0.30 1.94 -0.65 -0.54 0.00 0.00 174.62 175.20 3h71 h PRO 484 N -1.50 0.49 -0.36 3.99 0.11 -1.90 0.40 132.00 133.23 3h71 h PRO 484 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3h71 h PRO 484 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h71 h PRO 484 CO 0.55 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 3h71 n ASP 485 N -4.49 1.45 0.00 -2.05 5.68 -1.26 -4.88 116.55 111.00 3h71 n ASP 485 Ca 0.13 -2.06 0.00 0.00 -0.50 0.00 0.00 54.79 52.36 3h71 n ASP 485 Cb 0.43 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 3h71 n ASP 485 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h71 n GLY 486 N 0.72 0.71 3.58 6.12 0.00 0.13 -5.08 105.19 111.38 3h71 n GLY 486 Ca 0.08 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 3h71 n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h71 s LYS 487 N -3.25 3.32 0.28 1.61 -0.14 -1.25 -4.83 119.74 115.47 3h71 s LYS 487 Ca 0.00 -0.48 -0.29 0.00 -1.36 0.00 0.00 55.97 53.84 3h71 s LYS 487 Cb 0.00 -2.84 -0.10 0.00 -1.68 0.00 0.00 37.83 33.21 3h71 s LYS 487 CO 0.00 0.47 1.26 0.00 -0.76 0.00 0.00 175.35 176.32 3h71 s ALA 488 N -0.24 3.49 0.36 5.17 0.00 -1.26 0.46 121.76 129.73 3h71 s ALA 488 Ca 0.05 1.13 0.03 0.00 0.00 0.00 0.00 51.96 53.17 3h71 s ALA 488 Cb -0.13 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.58 3h71 s ALA 488 CO 0.02 -0.50 0.25 0.25 0.00 0.00 0.00 175.76 175.79 3h71 n THR 489 N 1.48 0.00 1.34 0.00 -2.24 -0.27 -4.88 114.28 109.71 3h71 n THR 489 Ca 0.02 -1.43 0.13 0.00 -2.27 0.00 0.00 64.05 60.50 3h71 n THR 489 Cb 0.43 -0.17 0.44 0.00 -2.10 0.00 0.00 70.33 68.93 3h71 n THR 489 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3h71 n ASP 490 N -1.86 1.71 -4.86 3.42 2.03 -1.26 -4.72 116.55 111.01 3h71 n ASP 490 Ca -0.02 -1.62 -0.34 0.00 0.52 0.00 0.00 54.79 53.34 3h71 n ASP 490 Cb 0.41 -0.04 -0.06 0.00 -0.72 0.00 0.00 41.12 40.71 3h71 n ASP 490 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3h71 s TYR 491 N -1.91 3.54 -0.02 -0.67 1.51 -1.26 -1.80 117.35 116.74 3h71 s TYR 491 Ca 0.36 0.96 -0.04 0.00 -1.01 0.00 0.00 57.07 57.33 3h71 s TYR 491 Cb 0.20 -2.30 0.00 0.00 -0.11 0.00 0.00 41.96 39.75 3h71 s TYR 491 CO 0.31 0.39 0.09 0.50 -1.11 0.00 0.00 175.55 175.72 3h71 s ARG 492 N -2.25 0.25 -0.06 -0.62 3.52 -0.29 -1.16 118.95 118.34 3h71 s ARG 492 Ca 0.40 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 55.86 3h71 s ARG 492 Cb -0.14 0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.33 3h71 s ARG 492 CO 0.20 -0.05 -0.03 0.08 -0.81 0.00 0.00 175.30 174.69 3h71 s VAL 493 N -0.62 4.03 -0.80 7.11 1.01 0.56 -0.17 120.40 131.51 3h71 s VAL 493 Ca -0.07 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.21 3h71 s VAL 493 Cb -0.04 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.66 3h71 s VAL 493 CO 0.00 0.54 1.42 -0.69 0.00 0.00 0.00 175.10 176.37 3h71 s VAL 494 N -0.91 3.72 -0.56 2.92 1.01 -0.25 -4.39 120.40 121.93 3h71 s VAL 494 Ca 0.15 0.06 0.23 0.00 0.00 0.00 0.00 61.98 62.41 3h71 s VAL 494 Cb -0.11 -4.80 -0.13 0.00 0.00 0.00 0.00 36.38 31.34 3h71 s VAL 494 CO 0.04 -1.73 0.98 1.33 0.00 0.00 0.00 175.10 175.72 3h71 n VAL 495 N 6.67 0.17 -3.56 2.92 0.24 -1.26 -1.92 118.33 121.59 3h71 n VAL 495 Ca 0.14 -0.27 -0.27 0.00 -2.04 0.00 0.00 64.34 61.90 3h71 n VAL 495 Cb 0.50 0.19 -0.09 0.00 -1.47 0.00 0.00 33.84 32.97 3h71 n VAL 495 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3h71 n ASP 496 N -2.01 3.08 -4.72 -1.34 8.00 -1.26 -5.01 116.55 113.28 3h71 n ASP 496 Ca 0.01 -3.27 -0.38 0.00 0.71 0.00 0.00 54.79 51.86 3h71 n ASP 496 Cb 0.45 -0.69 0.05 0.00 -0.02 0.00 0.00 41.12 40.91 3h71 n ASP 496 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3h71 n PRO 497 N 1.34 1.42 0.00 -0.24 -0.04 -1.26 -4.96 135.00 131.25 3h71 n PRO 497 Ca 0.26 0.53 0.00 0.00 -0.04 0.00 0.00 63.50 64.25 3h71 n PRO 497 Cb 0.40 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 3h71 n PRO 497 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3h71 n VAL 498 N -1.37 0.00 -1.87 0.52 0.24 -1.26 -4.93 118.33 109.66 3h71 n VAL 498 Ca 0.12 -0.23 -0.31 0.00 -2.04 0.00 0.00 64.34 61.89 3h71 n VAL 498 Cb 0.46 1.28 0.01 0.00 -1.47 0.00 0.00 33.84 34.12 3h71 n VAL 498 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3h71 s LYS 499 N -0.22 3.53 0.30 7.34 1.02 -1.26 -4.92 119.74 125.53 3h71 s LYS 499 Ca 0.00 0.72 -0.29 0.00 0.02 0.00 0.00 55.97 56.42 3h71 s LYS 499 Cb 0.00 -2.08 -0.12 0.00 -0.52 0.00 0.00 37.83 35.11 3h71 s LYS 499 CO 0.00 -0.61 1.43 -2.30 -0.92 0.00 0.00 175.35 172.94 3h71 n PRO 500 N -2.77 2.32 -0.93 -1.68 -0.02 -1.26 -0.28 135.00 130.37 3h71 n PRO 500 Ca 0.06 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3h71 n PRO 500 Cb 0.54 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 3h71 n PRO 500 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h71 n ALA 501 N 1.25 0.00 -3.88 3.55 0.00 -1.26 -2.99 120.51 117.19 3h71 n ALA 501 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.21 3h71 n ALA 501 Cb 0.35 -0.89 0.03 0.00 0.00 0.00 0.00 19.45 18.94 3h71 n ALA 501 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h71 n TYR 502 N -2.29 -2.33 0.31 0.00 4.02 0.61 -0.95 117.16 116.55 3h71 n TYR 502 Ca 0.00 0.90 0.05 0.00 -0.01 0.00 0.00 57.90 58.84 3h71 n TYR 502 Cb 0.25 -4.01 0.24 0.00 -0.02 0.00 0.00 39.34 35.80 3h71 n TYR 502 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3h71 n SER 503 N -2.82 0.08 -0.74 7.72 3.41 -1.16 -1.72 113.62 118.39 3h71 n SER 503 Ca 0.04 0.53 0.13 0.00 -0.26 0.00 0.00 58.87 59.31 3h71 n SER 503 Cb 0.53 -0.54 0.28 0.00 -0.26 0.00 0.00 64.21 64.21 3h71 n SER 503 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3h71 n ASP 504 N -1.60 2.34 -4.73 4.04 5.75 -1.26 -3.20 116.55 117.89 3h71 n ASP 504 Ca 0.02 -1.77 -0.42 0.00 -0.01 0.00 0.00 54.79 52.61 3h71 n ASP 504 Cb 0.11 0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 3h71 n ASP 504 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3h71 s LYS 505 N -2.02 4.16 0.00 0.11 2.20 -0.70 -1.75 119.74 121.74 3h71 s LYS 505 Ca 0.32 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.44 3h71 s LYS 505 Cb 0.20 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 3h71 s LYS 505 CO 0.32 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 175.08 3h71 n GLY 506 N 3.13 1.23 3.70 5.54 0.00 -0.81 -4.91 105.19 113.07 3h71 n GLY 506 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3h71 n GLY 506 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3h71 n ASP 507 N 0.00 2.96 -4.42 1.61 8.00 -0.72 -1.17 116.55 122.81 3h71 n ASP 507 Ca 0.00 1.19 -0.36 0.00 0.71 0.00 0.00 54.79 56.33 3h71 n ASP 507 Cb 0.00 -1.50 -0.13 0.00 -0.02 0.00 0.00 41.12 39.48 3h71 n ASP 507 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3h71 s LEU 508 N -0.81 3.34 0.24 0.64 1.98 0.76 -1.09 118.68 123.73 3h71 s LEU 508 Ca 0.59 -0.24 0.09 0.00 -2.89 0.00 0.00 54.13 51.68 3h71 s LEU 508 Cb -0.57 -1.89 -0.04 0.00 0.66 0.00 0.00 46.19 44.35 3h71 s LEU 508 CO 0.58 -0.03 0.03 -0.31 -1.89 0.00 0.00 176.35 174.73 3h71 s TYR 509 N 1.56 2.80 -0.49 5.38 1.51 0.76 -0.53 117.35 128.33 3h71 s TYR 509 Ca 0.06 -0.18 0.03 0.00 -1.01 0.00 0.00 57.07 55.97 3h71 s TYR 509 Cb -0.15 -1.28 0.14 0.00 -0.11 0.00 0.00 41.96 40.57 3h71 s TYR 509 CO 0.02 0.58 0.28 0.21 -1.11 0.00 0.00 175.55 175.53 3h71 s LYS 510 N -3.49 1.59 6.37 -0.62 2.36 -0.06 -1.14 119.74 124.76 3h71 s LYS 510 Ca 0.30 -2.34 0.00 0.00 -2.55 0.00 0.00 55.97 51.38 3h71 s LYS 510 Cb -0.07 -2.67 0.00 0.00 -1.05 0.00 0.00 37.83 34.03 3h71 s LYS 510 CO 0.20 -1.18 0.00 0.41 1.55 0.00 0.00 175.35 176.34 3h71 n GLY 511 N 3.19 1.79 0.60 5.54 0.00 -0.74 -2.58 105.19 112.99 3h71 n GLY 511 Ca 0.10 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 45.95 3h71 n GLY 511 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3h71 n ASN 512 N 9.98 2.35 -4.73 1.61 6.94 -1.26 -4.93 115.26 125.23 3h71 n ASN 512 Ca 0.00 -1.66 -0.35 0.00 -0.02 0.00 0.00 54.58 52.55 3h71 n ASN 512 Cb 0.00 -0.06 -0.08 0.00 -2.36 0.00 0.00 39.78 37.28 3h71 n ASN 512 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 3h71 s GLN 513 N -1.12 4.19 -0.17 -3.83 -0.44 -1.07 -5.06 119.66 112.16 3h71 s GLN 513 Ca 0.19 -0.22 -0.29 0.00 -2.50 0.00 0.00 55.36 52.54 3h71 s GLN 513 Cb 0.12 -3.42 -0.00 0.00 -1.64 0.00 0.00 33.01 28.06 3h71 s GLN 513 CO 0.18 0.29 1.10 -1.17 0.50 0.00 0.00 175.29 176.19 3h71 s LEU 514 N 0.38 4.17 -0.19 3.68 2.96 -1.26 -0.88 118.68 127.54 3h71 s LEU 514 Ca 0.08 1.53 0.04 0.00 -0.22 0.00 0.00 54.13 55.56 3h71 s LEU 514 Cb -0.11 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.89 3h71 s LEU 514 CO -0.02 -0.64 -0.13 0.18 -1.32 0.00 0.00 176.35 174.43 3h71 n LEU 515 N 6.00 2.41 0.00 -0.68 4.77 0.31 -4.96 117.00 124.84 3h71 n LEU 515 Ca 0.12 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3h71 n LEU 515 Cb 0.46 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3h71 n LEU 515 CO 0.53 0.75 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 3h71 n GLY 516 N 2.46 1.04 3.17 -0.72 0.00 -1.00 -3.89 105.19 106.25 3h71 n GLY 516 Ca -0.33 -0.04 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 3h71 n GLY 516 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3h71 s ASN 517 N 2.00 -0.33 0.00 1.61 2.47 -1.26 -0.17 114.94 119.26 3h71 s ASN 517 Ca 0.00 0.63 0.12 0.00 0.42 0.00 0.00 52.86 54.03 3h71 s ASN 517 Cb 0.00 0.59 0.57 0.00 -1.45 0.00 0.00 41.25 40.97 3h71 s ASN 517 CO 0.00 -0.13 1.35 2.30 -3.72 0.00 0.00 177.10 176.91 3h71 n ILE 518 N 3.36 0.93 1.08 -5.21 -5.35 -0.31 -1.93 119.36 111.93 3h71 n ILE 518 Ca -0.17 0.23 0.12 0.00 -0.27 0.00 0.00 62.75 62.66 3h71 n ILE 518 Cb 0.57 -1.02 0.13 0.00 -1.74 0.00 0.00 39.64 37.57 3h71 n ILE 518 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3h71 n TYR 519 N -1.40 0.00 -2.79 4.28 0.53 -1.26 -1.18 117.16 115.33 3h71 n TYR 519 Ca 0.04 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.52 3h71 n TYR 519 Cb 0.12 -0.06 -0.05 0.00 -1.03 0.00 0.00 39.34 38.32 3h71 n TYR 519 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3h71 s PHE 520 N -2.60 3.91 -0.02 -0.72 2.99 -0.81 -0.92 117.98 119.81 3h71 s PHE 520 Ca 0.18 1.81 0.00 0.00 0.00 0.00 0.00 56.93 58.93 3h71 s PHE 520 Cb 0.18 -2.96 -0.01 0.00 0.00 0.00 0.00 43.02 40.24 3h71 s PHE 520 CO 0.61 0.38 0.02 0.25 -0.00 0.00 0.00 175.22 176.47 3h71 n THR 521 N 2.00 0.00 -4.23 0.64 -2.24 -1.26 -4.80 114.28 104.38 3h71 n THR 521 Ca -0.01 -0.48 -0.17 0.00 -2.27 0.00 0.00 64.05 61.12 3h71 n THR 521 Cb 0.48 0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 3h71 n THR 521 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h71 s THR 522 N -1.06 1.23 -1.68 4.28 -4.23 -1.26 -4.82 115.64 108.09 3h71 s THR 522 Ca 0.00 -1.77 -0.12 0.00 -1.18 0.00 0.00 61.69 58.62 3h71 s THR 522 Cb 0.00 -1.56 0.12 0.00 1.34 0.00 0.00 72.50 72.40 3h71 s THR 522 CO 0.02 -0.51 0.30 0.59 -0.54 0.00 0.00 174.62 174.48 3h71 n ASN 523 N 0.39 -0.44 -4.76 3.99 5.03 -1.26 -4.73 115.26 113.48 3h71 n ASN 523 Ca -0.14 -1.24 -0.36 0.00 0.87 0.00 0.00 54.58 53.71 3h71 n ASN 523 Cb 0.58 -1.56 0.03 0.00 -1.02 0.00 0.00 39.78 37.80 3h71 n ASN 523 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3h71 s LYS 524 N -7.20 3.10 0.00 3.52 1.02 -1.26 -4.82 119.74 114.10 3h71 s LYS 524 Ca 0.41 1.82 0.09 0.00 0.02 0.00 0.00 55.97 58.32 3h71 s LYS 524 Cb -0.24 -2.00 -0.00 0.00 -0.52 0.00 0.00 37.83 35.07 3h71 s LYS 524 CO 0.99 -1.10 0.61 0.25 -0.92 0.00 0.00 175.35 175.18 3h71 n THR 525 N -1.42 0.00 -4.52 2.17 -2.24 -1.26 -4.99 114.28 102.02 3h71 n THR 525 Ca 0.13 -0.41 -0.26 0.00 -2.27 0.00 0.00 64.05 61.24 3h71 n THR 525 Cb 0.49 1.11 -0.10 0.00 -2.10 0.00 0.00 70.33 69.73 3h71 n THR 525 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3h71 s SER 526 N -1.27 3.82 0.16 3.42 1.04 -1.25 -4.64 113.70 114.97 3h71 s SER 526 Ca 0.08 -1.19 0.26 0.00 0.48 0.00 0.00 55.95 55.58 3h71 s SER 526 Cb 0.07 -0.38 0.73 0.00 0.10 0.00 0.00 66.02 66.54 3h71 s SER 526 CO 0.23 -0.24 1.67 -2.65 0.98 0.00 0.00 173.24 173.23 3h71 n PRO 527 N -0.84 0.24 -4.29 4.02 -0.02 -1.26 -4.95 135.00 127.90 3h71 n PRO 527 Ca -0.05 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.30 3h71 n PRO 527 Cb 0.64 -1.74 -0.11 0.00 -0.02 0.00 0.00 33.50 32.27 3h71 n PRO 527 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3h71 s PHE 528 N -3.10 2.58 0.01 6.00 0.08 -1.26 -4.07 117.98 118.22 3h71 s PHE 528 Ca 0.10 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.80 3h71 s PHE 528 Cb 0.13 -1.34 0.01 0.00 -0.57 0.00 0.00 43.02 41.25 3h71 s PHE 528 CO 0.62 0.42 0.23 -0.98 -0.10 0.00 0.00 175.22 175.41 3h71 s ARG 529 N -2.29 0.65 0.88 0.44 1.70 -0.81 -4.21 118.95 115.30 3h71 s ARG 529 Ca 0.20 -0.42 -0.13 0.00 -0.47 0.00 0.00 55.73 54.91 3h71 s ARG 529 Cb -0.10 0.28 0.14 0.00 -0.57 0.00 0.00 34.95 34.70 3h71 s ARG 529 CO 0.12 -0.18 1.23 0.96 -1.08 0.00 0.00 175.30 176.35 3h71 s ILE 530 N -1.87 2.03 0.40 4.99 -4.36 -0.33 -0.20 121.20 121.87 3h71 s ILE 530 Ca -0.10 -0.06 -0.26 0.00 -0.26 0.00 0.00 60.65 59.97 3h71 s ILE 530 Cb -0.04 -2.97 -0.09 0.00 1.25 0.00 0.00 42.46 40.61 3h71 s ILE 530 CO 0.00 0.00 1.30 0.00 0.24 0.00 0.00 174.94 176.49 3h71 s ALA 531 N -3.69 3.27 -0.95 2.27 0.00 -1.26 -4.79 121.76 116.60 3h71 s ALA 531 Ca 0.68 1.24 -0.23 0.00 0.00 0.00 0.00 51.96 53.65 3h71 s ALA 531 Cb -0.07 -3.49 0.05 0.00 0.00 0.00 0.00 23.12 19.62 3h71 s ALA 531 CO 0.50 -0.82 1.38 0.15 0.00 0.00 0.00 175.76 176.97 3h71 s LYS 532 N -2.23 3.50 0.00 0.00 1.02 -1.26 -4.86 119.74 115.91 3h71 s LYS 532 Ca 0.57 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.56 3h71 s LYS 532 Cb -0.38 -5.08 0.00 0.00 -0.52 0.00 0.00 37.83 31.85 3h71 s LYS 532 CO 0.49 -2.16 0.00 -3.47 -0.92 0.00 0.00 175.35 169.29 3h71 n ASP 533 N 8.78 0.00 -4.56 2.83 2.03 -1.26 -4.72 116.55 119.65 3h71 n ASP 533 Ca 0.26 -0.71 -0.34 0.00 0.52 0.00 0.00 54.79 54.52 3h71 n ASP 533 Cb 0.50 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.79 3h71 n ASP 533 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 3h71 s SER 534 N -0.35 5.14 0.23 1.67 0.15 -1.26 -4.48 113.70 114.80 3h71 s SER 534 Ca 0.00 -0.04 0.08 0.00 0.70 0.00 0.00 55.95 56.69 3h71 s SER 534 Cb 0.00 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.41 3h71 s SER 534 CO 0.00 0.18 -0.13 -0.31 1.20 0.00 0.00 173.24 174.17 3h71 s TYR 535 N 0.34 1.81 -0.12 3.44 2.02 -1.26 -4.77 117.35 118.81 3h71 s TYR 535 Ca -0.01 -0.58 0.01 0.00 -0.37 0.00 0.00 57.07 56.13 3h71 s TYR 535 Cb -0.13 -0.88 0.02 0.00 -0.40 0.00 0.00 41.96 40.57 3h71 s TYR 535 CO 0.02 0.38 -0.15 -1.17 -1.57 0.00 0.00 175.55 173.05 3h71 s LEU 536 N -3.36 1.73 0.00 -1.29 2.96 -1.26 -4.44 118.68 113.02 3h71 s LEU 536 Ca 0.25 -0.46 0.00 0.00 -0.22 0.00 0.00 54.13 53.70 3h71 s LEU 536 Cb -0.00 -1.14 0.00 0.00 0.50 0.00 0.00 46.19 45.55 3h71 s LEU 536 CO 0.09 -0.01 0.00 0.79 -1.32 0.00 0.00 176.35 175.90 3h71 n TRP 537 N 4.39 -0.34 -3.64 5.38 7.02 0.36 -1.74 117.44 128.87 3h71 n TRP 537 Ca -0.18 0.00 -0.03 0.00 -1.02 0.00 0.00 57.50 56.27 3h71 n TRP 537 Cb 0.51 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.35 3h71 n TRP 537 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 3h71 s SER 539 N -0.30 -0.08 0.12 -0.99 0.01 -0.45 -1.15 113.70 110.86 3h71 s SER 539 Ca 0.00 0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.41 3h71 s SER 539 Cb 0.00 0.10 -0.04 0.00 0.21 0.00 0.00 66.02 66.29 3h71 s SER 539 CO 0.00 -0.06 -0.10 -0.72 0.41 0.00 0.00 173.24 172.77 3h71 s TYR 540 N -0.68 1.17 -0.05 2.43 -0.85 -1.26 -0.83 117.35 117.28 3h71 s TYR 540 Ca 0.07 -0.69 0.03 0.00 -0.52 0.00 0.00 57.07 55.96 3h71 s TYR 540 Cb -0.02 -0.62 0.00 0.00 0.38 0.00 0.00 41.96 41.70 3h71 s TYR 540 CO -0.09 0.04 -0.14 0.45 -1.52 0.00 0.00 175.55 174.28 3h71 s SER 541 N -2.73 1.92 0.00 -0.18 0.15 0.41 -0.85 113.70 112.42 3h71 s SER 541 Ca 0.10 -0.32 0.15 0.00 0.70 0.00 0.00 55.95 56.59 3h71 s SER 541 Cb -0.01 -0.69 0.28 0.00 -1.71 0.00 0.00 66.02 63.89 3h71 s SER 541 CO 0.00 0.09 1.19 0.47 1.20 0.00 0.00 173.24 176.19 3h71 n ASP 542 N 3.45 2.83 -2.40 5.45 8.00 -1.26 -1.08 116.55 131.53 3h71 n ASP 542 Ca -0.20 -1.83 -0.19 0.00 0.71 0.00 0.00 54.79 53.28 3h71 n ASP 542 Cb 0.53 -0.17 0.02 0.00 -0.02 0.00 0.00 41.12 41.48 3h71 n ASP 542 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h71 n ASP 543 N 0.91 3.77 -2.26 -2.24 5.68 -1.26 -4.96 116.55 116.19 3h71 n ASP 543 Ca 0.13 -3.30 -0.19 0.00 -0.50 0.00 0.00 54.79 50.93 3h71 n ASP 543 Cb 0.45 -0.43 -0.00 0.00 -1.14 0.00 0.00 41.12 40.00 3h71 n ASP 543 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3h71 n ASP 544 N -0.52 -5.47 0.00 -1.12 2.03 -1.26 -2.85 116.55 107.36 3h71 n ASP 544 Ca 0.31 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.55 3h71 n ASP 544 Cb 0.82 -4.48 0.00 0.00 -0.72 0.00 0.00 41.12 36.74 3h71 n ASP 544 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h71 n GLY 545 N -1.11 0.75 0.19 0.27 0.00 -1.26 -4.96 105.19 99.08 3h71 n GLY 545 Ca -0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 3h71 n GLY 545 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h71 h LYS 546 N 4.04 0.63 -5.17 1.61 1.57 -1.94 -3.46 116.57 113.85 3h71 h LYS 546 Ca 0.00 -0.43 -0.37 0.00 -1.87 0.00 0.00 60.65 57.98 3h71 h LYS 546 Cb 0.00 0.06 -0.19 0.00 0.08 0.00 0.00 32.23 32.18 3h71 h LYS 546 CO 0.00 1.05 -0.75 0.95 -0.57 0.00 0.00 179.45 180.13 3h71 s THR 547 N -3.96 1.07 0.08 -0.16 -4.23 -1.26 -5.01 115.64 102.16 3h71 s THR 547 Ca -0.12 -1.51 0.06 0.00 -1.18 0.00 0.00 61.69 58.93 3h71 s THR 547 Cb 0.07 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.62 3h71 s THR 547 CO 0.84 -0.40 -0.16 0.26 -0.54 0.00 0.00 174.62 174.62 3h71 s TRP 548 N -1.92 1.34 0.95 3.99 0.52 -1.26 -4.33 118.94 118.24 3h71 s TRP 548 Ca 0.03 -0.46 -0.12 0.00 0.02 0.00 0.00 56.10 55.57 3h71 s TRP 548 Cb -0.06 -0.75 0.16 0.00 -1.15 0.00 0.00 33.47 31.67 3h71 s TRP 548 CO 0.02 0.09 1.11 -1.54 0.02 0.00 0.00 176.95 176.65 3h71 s SER 549 N -1.83 3.08 0.58 2.95 1.04 -0.03 -4.95 113.70 114.54 3h71 s SER 549 Ca 0.01 1.13 -0.17 0.00 0.48 0.00 0.00 55.95 57.40 3h71 s SER 549 Cb -0.10 -1.77 -0.04 0.00 0.10 0.00 0.00 66.02 64.21 3h71 s SER 549 CO 0.03 -2.84 1.09 0.00 0.98 0.00 0.00 173.24 172.49 3h71 s ALA 550 N -3.08 2.67 0.35 5.32 0.00 -1.26 -4.56 121.76 121.20 3h71 s ALA 550 Ca 0.64 0.57 -0.29 0.00 0.00 0.00 0.00 51.96 52.89 3h71 s ALA 550 Cb -0.17 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3h71 s ALA 550 CO 0.56 -0.86 1.51 -2.14 0.00 0.00 0.00 175.76 174.83 3h71 s PRO 551 N -3.77 4.12 -0.12 0.00 0.02 -1.26 -4.77 135.00 129.23 3h71 s PRO 551 Ca 0.67 2.56 -0.00 0.00 0.02 0.00 0.00 61.00 64.25 3h71 s PRO 551 Cb -0.19 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 3h71 s PRO 551 CO 0.33 -0.55 -0.11 -1.14 -0.33 0.00 0.00 177.00 175.21 3h71 s GLN 552 N -1.60 3.30 -0.67 5.54 0.74 -1.26 -5.01 119.66 120.70 3h71 s GLN 552 Ca 0.56 -0.64 -0.26 0.00 0.05 0.00 0.00 55.36 55.07 3h71 s GLN 552 Cb -0.47 -2.66 0.04 0.00 1.10 0.00 0.00 33.01 31.02 3h71 s GLN 552 CO 0.58 0.30 1.14 0.34 -0.55 0.00 0.00 175.29 177.10 3h71 s ASP 553 N 0.14 6.24 0.00 6.67 2.15 -1.26 -4.44 116.67 126.17 3h71 s ASP 553 Ca -0.05 -0.48 0.27 0.00 0.43 0.00 0.00 52.55 52.72 3h71 s ASP 553 Cb -0.15 -2.51 0.84 0.00 -0.30 0.00 0.00 42.92 40.81 3h71 s ASP 553 CO 0.04 -1.59 1.62 2.30 -0.17 0.00 0.00 175.17 177.37 3h71 n ILE 554 N 6.29 0.00 -0.23 4.11 -5.35 -0.71 -4.51 119.36 118.96 3h71 n ILE 554 Ca 0.02 -0.30 0.02 0.00 -0.27 0.00 0.00 62.75 62.22 3h71 n ILE 554 Cb 0.48 0.73 0.11 0.00 -1.74 0.00 0.00 39.64 39.22 3h71 n ILE 554 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3h71 h THR 555 N 2.86 0.38 0.00 7.28 2.02 -1.84 -3.23 112.91 120.37 3h71 h THR 555 Ca 0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 3h71 h THR 555 Cb 0.62 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 3h71 h THR 555 CO 0.00 0.01 0.00 -0.81 0.37 0.00 0.00 175.52 175.09 3h71 n PRO 556 N -5.37 0.05 0.00 6.66 -0.04 -1.26 -0.78 135.00 134.26 3h71 n PRO 556 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 3h71 n PRO 556 Cb 0.39 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 3h71 n PRO 556 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3h71 n VAL 558 N 1.88 0.00 -3.27 0.52 0.24 -1.22 -4.99 118.33 111.49 3h71 n VAL 558 Ca 0.00 0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 61.92 3h71 n VAL 558 Cb 0.02 -0.08 -0.08 0.00 -1.47 0.00 0.00 33.84 32.23 3h71 n VAL 558 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3h71 s LYS 559 N -0.23 3.64 0.71 7.34 2.20 0.04 -4.67 119.74 128.77 3h71 s LYS 559 Ca 0.00 -0.17 -0.12 0.00 -0.36 0.00 0.00 55.97 55.32 3h71 s LYS 559 Cb 0.00 -3.80 0.02 0.00 -1.51 0.00 0.00 37.83 32.55 3h71 s LYS 559 CO 0.00 -0.61 1.09 0.00 -0.36 0.00 0.00 175.35 175.47 3h71 s ALA 560 N 2.33 2.44 0.53 3.13 0.00 -1.26 -4.94 121.76 123.99 3h71 s ALA 560 Ca 0.18 0.31 0.32 0.00 0.00 0.00 0.00 51.96 52.76 3h71 s ALA 560 Cb -0.16 -3.26 1.80 0.00 0.00 0.00 0.00 23.12 21.50 3h71 s ALA 560 CO 0.13 -1.45 2.21 -0.44 0.00 0.00 0.00 175.76 176.21 3h71 h ASP 561 N -0.62 0.00 -1.44 0.00 3.32 -2.01 -3.46 116.42 112.21 3h71 h ASP 561 Ca -0.45 0.00 -0.73 0.00 0.02 0.00 0.00 57.03 55.87 3h71 h ASP 561 Cb 1.23 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.64 3h71 h ASP 561 CO 0.54 0.04 1.93 -2.67 -1.72 0.00 0.00 179.24 177.36 3h71 n TRP 562 N -3.61 3.99 0.00 4.55 4.27 -1.26 -5.13 117.44 120.25 3h71 n TRP 562 Ca -0.02 -3.03 0.00 0.00 -3.89 0.00 0.00 57.50 50.55 3h71 n TRP 562 Cb 0.14 -2.20 0.00 0.00 -1.36 0.00 0.00 31.31 27.89 3h71 n TRP 562 CO 0.00 0.00 0.00 1.17 -2.29 0.00 0.00 177.69 176.57 3h71 n LYS 564 N 5.38 0.00 -3.11 -2.67 4.81 -0.54 -4.25 118.16 117.78 3h71 n LYS 564 Ca 0.41 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.47 3h71 n LYS 564 Cb 0.40 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.39 3h71 n LYS 564 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3h71 s PHE 565 N 0.00 3.79 -0.18 5.64 5.36 -1.23 -4.41 117.98 126.94 3h71 s PHE 565 Ca 0.00 1.44 -0.04 0.00 -0.96 0.00 0.00 56.93 57.37 3h71 s PHE 565 Cb 0.00 -2.63 0.09 0.00 -0.34 0.00 0.00 43.02 40.13 3h71 s PHE 565 CO 0.00 0.47 0.22 -1.17 -1.46 0.00 0.00 175.22 173.28 3h71 s LEU 566 N -1.44 -0.11 0.20 6.12 2.96 -1.26 -1.82 118.68 123.33 3h71 s LEU 566 Ca 0.36 -0.09 -0.06 0.00 -0.22 0.00 0.00 54.13 54.12 3h71 s LEU 566 Cb -0.20 0.39 -0.02 0.00 0.50 0.00 0.00 46.19 46.86 3h71 s LEU 566 CO 0.22 -0.31 0.25 -0.83 -1.32 0.00 0.00 176.35 174.36 3h71 s GLY 567 N 2.33 0.97 0.58 7.98 0.00 -0.66 -4.57 107.32 113.95 3h71 s GLY 567 Ca 0.06 -1.30 -0.13 0.00 0.00 0.00 0.00 44.72 43.35 3h71 s GLY 567 CO -0.11 -1.07 1.01 -1.34 0.00 0.00 0.00 173.10 171.59 3h71 s VAL 568 N -4.07 4.59 -0.67 1.40 -7.23 -1.26 -0.31 120.40 112.84 3h71 s VAL 568 Ca 0.29 1.01 -0.17 0.00 -1.81 0.00 0.00 61.98 61.30 3h71 s VAL 568 Cb 0.04 -3.78 0.14 0.00 0.56 0.00 0.00 36.38 33.34 3h71 s VAL 568 CO 0.08 -0.94 0.72 -0.83 -0.31 0.00 0.00 175.10 173.82 3h71 s GLY 569 N -3.68 2.06 0.44 2.32 0.00 0.57 -4.71 107.32 104.32 3h71 s GLY 569 Ca 0.57 -2.61 -0.23 0.00 0.00 0.00 0.00 44.72 42.45 3h71 s GLY 569 CO 0.44 1.47 0.90 -1.55 0.00 0.00 0.00 173.10 174.36 3h71 n PRO 570 N 5.58 1.12 0.00 2.90 -0.04 -1.26 -4.60 135.00 138.69 3h71 n PRO 570 Ca -0.01 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.85 3h71 n PRO 570 Cb 0.44 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 3h71 n PRO 570 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3h71 n GLY 571 N 1.34 0.35 3.06 0.55 0.00 -1.26 -4.91 105.19 104.32 3h71 n GLY 571 Ca 0.10 -1.17 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 3h71 n GLY 571 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h71 s THR 572 N -3.86 1.57 0.42 2.61 2.01 -1.26 -1.59 115.64 115.53 3h71 s THR 572 Ca 0.00 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.26 3h71 s THR 572 Cb 0.00 -1.44 0.10 0.00 0.01 0.00 0.00 72.50 71.17 3h71 s THR 572 CO 0.00 0.46 0.52 0.61 -0.69 0.00 0.00 174.62 175.51 3h71 n GLY 573 N 4.35 -1.57 3.19 4.40 0.00 0.60 -4.79 105.19 111.37 3h71 n GLY 573 Ca -0.18 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.09 3h71 n GLY 573 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3h71 s ILE 574 N -2.09 0.08 -0.10 -0.61 -4.36 -1.02 -4.78 121.20 108.30 3h71 s ILE 574 Ca 0.30 -1.97 0.03 0.00 -0.26 0.00 0.00 60.65 58.75 3h71 s ILE 574 Cb -0.01 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.39 3h71 s ILE 574 CO 0.21 -0.19 -0.19 -0.69 0.24 0.00 0.00 174.94 174.32 3h71 s VAL 575 N -4.09 1.74 0.25 8.37 1.01 -1.26 -0.63 120.40 125.79 3h71 s VAL 575 Ca 0.33 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 61.19 3h71 s VAL 575 Cb 0.07 -1.54 -0.12 0.00 0.00 0.00 0.00 36.38 34.79 3h71 s VAL 575 CO 0.08 0.49 1.67 0.18 0.00 0.00 0.00 175.10 177.52 3h71 n LEU 576 N 3.86 4.20 0.05 3.92 4.77 -0.03 -4.85 117.00 128.92 3h71 n LEU 576 Ca -0.20 1.10 0.02 0.00 -0.03 0.00 0.00 56.01 56.91 3h71 n LEU 576 Cb 0.52 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 39.96 3h71 n LEU 576 CO 0.26 0.18 -0.18 0.03 -1.33 0.00 0.00 177.39 176.36 3h71 h ARG 577 N 5.85 0.00 -4.23 3.23 3.08 -1.91 -1.17 114.38 119.23 3h71 h ARG 577 Ca -0.45 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.31 3h71 h ARG 577 Cb 1.21 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.17 3h71 h ARG 577 CO 0.88 0.24 -0.25 0.54 -1.07 0.00 0.00 179.97 180.31 3h71 s ASN 578 N -5.74 0.92 0.00 7.04 2.20 -1.26 -4.89 114.94 113.21 3h71 s ASN 578 Ca -0.02 -1.49 0.00 0.00 -0.94 0.00 0.00 52.86 50.42 3h71 s ASN 578 Cb 0.09 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 39.97 3h71 s ASN 578 CO 0.80 -1.23 0.00 0.61 -2.94 0.00 0.00 177.10 174.34 3h71 n GLY 579 N -0.55 -0.69 0.15 0.45 0.00 -1.26 -3.78 105.19 99.52 3h71 n GLY 579 Ca 0.02 -1.73 0.12 0.00 0.00 0.00 0.00 46.02 44.42 3h71 n GLY 579 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h71 n PRO 580 N -0.71 0.17 -0.70 1.61 -0.04 -1.26 -2.13 135.00 131.95 3h71 n PRO 580 Ca 0.00 0.52 0.01 0.00 -0.04 0.00 0.00 63.50 64.00 3h71 n PRO 580 Cb 0.00 -1.92 0.26 0.00 -0.04 0.00 0.00 33.50 31.80 3h71 n PRO 580 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3h71 n HIS 581 N -2.26 1.42 -1.68 0.54 8.25 -1.26 -5.01 115.22 115.21 3h71 n HIS 581 Ca 0.00 -1.15 -0.44 0.00 -0.26 0.00 0.00 57.72 55.88 3h71 n HIS 581 Cb 0.14 -0.47 -0.02 0.00 1.12 0.00 0.00 29.99 30.76 3h71 n HIS 581 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3h71 n LYS 582 N -0.56 2.16 0.00 -0.41 4.81 -0.91 -1.63 118.16 121.62 3h71 n LYS 582 Ca 0.30 0.77 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 3h71 n LYS 582 Cb 1.07 -2.44 0.00 0.00 0.02 0.00 0.00 35.03 33.68 3h71 n LYS 582 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h71 n GLY 583 N 2.10 1.64 3.74 3.14 0.00 -0.44 -4.97 105.19 110.39 3h71 n GLY 583 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3h71 n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3h71 s ARG 584 N -0.94 4.36 -0.17 1.61 3.52 -0.65 -4.71 118.95 121.97 3h71 s ARG 584 Ca 0.00 2.11 -0.16 0.00 -0.13 0.00 0.00 55.73 57.55 3h71 s ARG 584 Cb 0.00 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.17 3h71 s ARG 584 CO 0.00 -0.31 0.39 0.42 -0.81 0.00 0.00 175.30 175.00 3h71 s ILE 585 N 0.18 5.22 -0.11 4.11 1.01 -0.55 -0.85 121.20 130.21 3h71 s ILE 585 Ca 0.58 0.73 0.01 0.00 0.00 0.00 0.00 60.65 61.97 3h71 s ILE 585 Cb -0.38 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 3h71 s ILE 585 CO 0.38 0.30 -0.14 -0.76 0.00 0.00 0.00 174.94 174.73 3h71 s LEU 586 N 0.95 2.69 -0.17 2.97 1.43 0.20 -1.85 118.68 124.90 3h71 s LEU 586 Ca 0.20 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3h71 s LEU 586 Cb -0.14 -1.59 0.03 0.00 0.03 0.00 0.00 46.19 44.52 3h71 s LEU 586 CO 0.07 0.20 -0.12 -0.63 0.23 0.00 0.00 176.35 176.10 3h71 s ILE 587 N 0.16 1.58 0.30 -0.59 -1.09 -0.37 -2.45 121.20 118.74 3h71 s ILE 587 Ca -0.07 -0.80 -0.29 0.00 -2.23 0.00 0.00 60.65 57.26 3h71 s ILE 587 Cb -0.15 -1.57 -0.10 0.00 -1.58 0.00 0.00 42.46 39.06 3h71 s ILE 587 CO 0.05 0.31 1.31 -2.84 -1.23 0.00 0.00 174.94 172.54 3h71 s PRO 588 N 1.45 4.37 0.24 2.79 0.02 -1.26 -1.34 135.00 141.27 3h71 s PRO 588 Ca 0.02 2.18 -0.07 0.00 0.02 0.00 0.00 61.00 63.15 3h71 s PRO 588 Cb -0.14 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.26 3h71 s PRO 588 CO -0.09 -0.20 0.34 0.14 -0.33 0.00 0.00 177.00 176.86 3h71 s VAL 589 N -0.85 0.00 0.07 3.83 -7.23 -0.17 -0.32 120.40 115.73 3h71 s VAL 589 Ca 0.51 -1.67 -0.14 0.00 -1.81 0.00 0.00 61.98 58.87 3h71 s VAL 589 Cb -0.39 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.21 3h71 s VAL 589 CO 0.49 0.00 0.32 -0.72 -0.31 0.00 0.00 175.10 174.88 3h71 s TYR 590 N -3.98 -0.11 0.31 2.82 -0.85 0.58 -1.50 117.35 114.63 3h71 s TYR 590 Ca 0.30 -0.12 0.03 0.00 -0.52 0.00 0.00 57.07 56.76 3h71 s TYR 590 Cb 0.02 0.13 -0.05 0.00 0.38 0.00 0.00 41.96 42.44 3h71 s TYR 590 CO 0.11 -0.57 0.09 0.95 -1.52 0.00 0.00 175.55 174.61 3h71 s THR 591 N -3.11 0.81 0.08 -3.49 -4.23 -0.53 -1.65 115.64 103.53 3h71 s THR 591 Ca -0.01 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.51 3h71 s THR 591 Cb 0.01 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.15 3h71 s THR 591 CO -0.07 0.00 -0.06 0.42 -0.54 0.00 0.00 174.62 174.37 3h71 s THR 592 N -3.48 0.60 0.49 3.99 -4.23 -0.76 -1.22 115.64 111.03 3h71 s THR 592 Ca 0.35 -1.79 0.05 0.00 -1.18 0.00 0.00 61.69 59.12 3h71 s THR 592 Cb 0.07 -1.50 -0.01 0.00 1.34 0.00 0.00 72.50 72.41 3h71 s THR 592 CO 0.15 -0.82 0.23 0.54 -0.54 0.00 0.00 174.62 174.17 3h71 s ASN 593 N -2.81 4.44 0.00 3.99 2.20 -1.26 -1.46 114.94 120.04 3h71 s ASN 593 Ca 0.08 -1.28 0.29 0.00 -0.94 0.00 0.00 52.86 51.01 3h71 s ASN 593 Cb 0.03 0.11 1.28 0.00 -2.00 0.00 0.00 41.25 40.68 3h71 s ASN 593 CO -0.05 -0.84 1.92 0.59 -2.94 0.00 0.00 177.10 175.79 3h71 n ASN 594 N -1.45 0.11 -0.04 3.54 3.02 -1.26 -1.29 115.26 117.88 3h71 n ASN 594 Ca -0.06 0.04 -0.11 0.00 -0.03 0.00 0.00 54.58 54.42 3h71 n ASN 594 Cb 0.65 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 39.42 3h71 n ASN 594 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3h71 h VAL 595 N 0.08 1.35 0.00 2.41 2.07 -1.93 -3.42 116.25 116.83 3h71 h VAL 595 Ca 0.00 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.68 3h71 h VAL 595 Cb 0.40 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.65 3h71 h VAL 595 CO 0.00 0.43 0.00 -1.54 0.02 0.00 0.00 177.57 176.48 3h71 n SER 596 N -4.71 0.38 0.00 0.57 3.41 -1.25 -5.07 113.62 106.95 3h71 n SER 596 Ca -0.08 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.80 3h71 n SER 596 Cb 0.35 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 3h71 n SER 596 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3h71 n HIS 597 N -0.26 0.00 0.67 7.33 -0.00 -0.41 -1.27 115.22 121.28 3h71 n HIS 597 Ca 0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 3h71 n HIS 597 Cb 0.05 0.00 0.47 0.00 -0.12 0.00 0.00 29.99 30.39 3h71 n HIS 597 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 3h71 n LEU 598 N 0.00 0.37 0.07 0.27 4.77 -1.26 -2.43 117.00 118.80 3h71 n LEU 598 Ca 0.00 0.55 -0.03 0.00 -0.03 0.00 0.00 56.01 56.51 3h71 n LEU 598 Cb 0.00 -0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 3h71 n LEU 598 CO 0.00 -0.21 0.11 0.78 -1.33 0.00 0.00 177.39 176.73 3h71 h ASN 599 N 0.00 0.00 0.00 -1.43 2.35 -1.61 -3.43 115.58 111.46 3h71 h ASN 599 Ca 0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 3h71 h ASN 599 Cb 0.50 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.80 3h71 h ASN 599 CO 0.00 0.74 -0.19 0.61 -1.65 0.00 0.00 177.43 176.95 3h71 n GLY 600 N 1.34 0.78 0.00 2.83 0.00 -1.19 -4.27 105.19 104.68 3h71 n GLY 600 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3h71 n GLY 600 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h71 n SER 601 N 0.02 0.32 -4.67 1.61 3.41 -1.02 -1.16 113.62 112.13 3h71 n SER 601 Ca -0.11 -1.03 -0.48 0.00 -0.26 0.00 0.00 58.87 56.99 3h71 n SER 601 Cb 0.62 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 3h71 n SER 601 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h71 n GLN 602 N -0.02 2.10 -3.88 4.33 6.02 -1.25 -4.42 117.38 120.26 3h71 n GLN 602 Ca 0.00 0.76 -0.18 0.00 -0.01 0.00 0.00 57.00 57.57 3h71 n GLN 602 Cb 0.21 -2.57 -0.17 0.00 1.02 0.00 0.00 30.24 28.74 3h71 n GLN 602 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3h71 s SER 603 N 2.71 0.69 0.51 1.08 0.01 -0.36 -1.59 113.70 116.74 3h71 s SER 603 Ca 0.87 -0.02 -0.18 0.00 1.31 0.00 0.00 55.95 57.93 3h71 s SER 603 Cb -0.71 -0.25 -0.07 0.00 0.21 0.00 0.00 66.02 65.20 3h71 s SER 603 CO 0.47 -0.13 1.01 -0.44 0.41 0.00 0.00 173.24 174.55 3h71 s SER 604 N 1.29 6.42 0.05 2.44 0.01 -0.08 -1.46 113.70 122.37 3h71 s SER 604 Ca -0.06 1.72 -0.21 0.00 1.31 0.00 0.00 55.95 58.71 3h71 s SER 604 Cb -0.13 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.64 3h71 s SER 604 CO -0.02 -0.72 0.95 -2.11 0.41 0.00 0.00 173.24 171.75 3h71 n ARG 605 N -1.41 0.30 -4.28 12.44 1.85 -0.56 -2.22 116.66 122.78 3h71 n ARG 605 Ca 0.08 -0.85 -0.15 0.00 -1.00 0.00 0.00 57.85 55.92 3h71 n ARG 605 Cb 0.53 1.27 -0.10 0.00 -1.05 0.00 0.00 32.46 33.11 3h71 n ARG 605 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 3h71 s ILE 606 N -2.09 1.18 0.22 8.89 -5.25 -1.26 -1.00 121.20 121.89 3h71 s ILE 606 Ca 0.22 -2.07 0.11 0.00 -0.99 0.00 0.00 60.65 57.92 3h71 s ILE 606 Cb -0.01 -1.97 -0.04 0.00 2.95 0.00 0.00 42.46 43.38 3h71 s ILE 606 CO 0.01 -0.64 -0.17 0.27 -1.79 0.00 0.00 174.94 172.62 3h71 s ILE 607 N -3.32 2.70 0.17 8.37 -4.36 -0.45 -1.03 121.20 123.28 3h71 s ILE 607 Ca 0.20 -2.02 -0.07 0.00 -0.26 0.00 0.00 60.65 58.49 3h71 s ILE 607 Cb 0.03 -2.35 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 3h71 s ILE 607 CO 0.03 -0.21 0.25 -0.72 0.24 0.00 0.00 174.94 174.53 3h71 s TYR 608 N -1.95 0.55 -0.03 1.37 -0.85 0.11 -1.23 117.35 115.31 3h71 s TYR 608 Ca 0.25 -0.90 0.00 0.00 -0.52 0.00 0.00 57.07 55.90 3h71 s TYR 608 Cb -0.07 -0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.14 3h71 s TYR 608 CO 0.13 -0.71 0.01 0.45 -1.52 0.00 0.00 175.55 173.92 3h71 s SER 609 N -3.01 0.41 0.00 -0.18 0.15 -0.77 -0.58 113.70 109.73 3h71 s SER 609 Ca 0.21 -0.00 0.19 0.00 0.70 0.00 0.00 55.95 57.05 3h71 s SER 609 Cb 0.04 -0.18 0.27 0.00 -1.71 0.00 0.00 66.02 64.44 3h71 s SER 609 CO 0.02 -0.12 1.22 0.47 1.20 0.00 0.00 173.24 176.03 3h71 n ASP 610 N 4.26 2.92 -2.21 5.45 8.00 -1.26 -1.47 116.55 132.24 3h71 n ASP 610 Ca -0.25 -1.87 -0.21 0.00 0.71 0.00 0.00 54.79 53.18 3h71 n ASP 610 Cb 0.50 -0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.50 3h71 n ASP 610 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3h71 n ASP 611 N 1.14 4.33 -3.00 -2.24 5.68 -1.26 -4.93 116.55 116.28 3h71 n ASP 611 Ca 0.14 -3.47 -0.22 0.00 -0.50 0.00 0.00 54.79 50.74 3h71 n ASP 611 Cb 0.51 -0.38 0.04 0.00 -1.14 0.00 0.00 41.12 40.15 3h71 n ASP 611 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3h71 n HIS 612 N -0.65 -2.01 -0.29 2.11 8.25 -1.26 -2.89 115.22 118.49 3h71 n HIS 612 Ca 0.37 0.55 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 3h71 n HIS 612 Cb 0.90 -4.51 0.00 0.00 1.12 0.00 0.00 29.99 27.51 3h71 n HIS 612 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h71 n GLY 613 N -1.55 0.91 0.06 -1.41 0.00 -1.26 -4.96 105.19 96.97 3h71 n GLY 613 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.79 3h71 n GLY 613 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h71 h LYS 614 N 3.80 0.03 -5.87 1.61 1.57 -1.94 -3.45 116.57 112.31 3h71 h LYS 614 Ca 0.00 -0.01 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3h71 h LYS 614 Cb 0.00 -0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.12 3h71 h LYS 614 CO 0.00 0.31 -0.79 0.95 -0.57 0.00 0.00 179.45 179.35 3h71 s THR 615 N -5.03 1.67 0.14 -0.16 -4.23 -1.26 -5.12 115.64 101.65 3h71 s THR 615 Ca -0.15 -1.76 0.08 0.00 -1.18 0.00 0.00 61.69 58.69 3h71 s THR 615 Cb 0.04 -1.68 -0.04 0.00 1.34 0.00 0.00 72.50 72.16 3h71 s THR 615 CO 0.67 -0.27 -0.19 0.26 -0.54 0.00 0.00 174.62 174.56 3h71 s TRP 616 N -1.81 1.76 0.01 3.99 0.52 -1.26 -4.42 118.94 117.73 3h71 s TRP 616 Ca 0.11 -0.46 0.00 0.00 0.02 0.00 0.00 56.10 55.78 3h71 s TRP 616 Cb -0.07 -0.91 -0.01 0.00 -1.15 0.00 0.00 33.47 31.33 3h71 s TRP 616 CO 0.05 0.26 -0.03 -1.01 0.02 0.00 0.00 176.95 176.24 3h71 s HIS 617 N -1.71 0.25 -0.04 -1.98 3.76 0.25 -4.58 115.29 111.25 3h71 s HIS 617 Ca 0.11 -0.32 -0.18 0.00 -0.15 0.00 0.00 55.06 54.53 3h71 s HIS 617 Cb -0.07 -0.17 -0.05 0.00 1.11 0.00 0.00 32.58 33.40 3h71 s HIS 617 CO 0.05 -0.10 0.49 0.00 -0.85 0.00 0.00 174.74 174.34 3h71 s ALA 618 N -0.86 3.55 0.88 -1.40 0.00 -1.26 0.09 121.76 122.75 3h71 s ALA 618 Ca -0.08 -0.13 -0.09 0.00 0.00 0.00 0.00 51.96 51.66 3h71 s ALA 618 Cb -0.06 -2.60 0.18 0.00 0.00 0.00 0.00 23.12 20.64 3h71 s ALA 618 CO -0.00 0.21 1.14 0.41 0.00 0.00 0.00 175.76 177.52 3h71 n GLY 619 N 2.54 -0.52 3.90 0.00 0.00 -0.19 -4.96 105.19 105.96 3h71 n GLY 619 Ca -0.09 -1.85 -0.28 0.00 0.00 0.00 0.00 46.02 43.79 3h71 n GLY 619 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h71 s GLU 620 N -5.46 3.60 0.41 1.61 2.02 0.12 -4.73 118.70 116.27 3h71 s GLU 620 Ca 0.69 0.28 -0.23 0.00 0.02 0.00 0.00 54.97 55.73 3h71 s GLU 620 Cb -0.03 -2.37 -0.09 0.00 0.10 0.00 0.00 34.13 31.74 3h71 s GLU 620 CO 0.47 -0.17 1.02 0.00 0.02 0.00 0.00 175.26 176.60 3h71 s ALA 621 N -2.66 3.06 0.28 5.21 0.00 -1.26 -4.57 121.76 121.81 3h71 s ALA 621 Ca 0.49 0.61 -0.01 0.00 0.00 0.00 0.00 51.96 53.04 3h71 s ALA 621 Cb -0.10 -3.24 0.45 0.00 0.00 0.00 0.00 23.12 20.23 3h71 s ALA 621 CO 0.42 -0.12 1.89 0.28 0.00 0.00 0.00 175.76 178.22 3h71 h VAL 622 N 2.10 1.07 0.00 0.00 2.07 -1.81 -1.58 116.25 118.09 3h71 h VAL 622 Ca -0.48 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 66.65 3h71 h VAL 622 Cb 1.21 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 3h71 h VAL 622 CO 0.62 0.21 0.00 0.59 0.02 0.00 0.00 177.57 179.01 3h71 n ASN 623 N -4.51 0.00 -4.65 0.57 5.03 -1.26 -4.55 115.26 105.88 3h71 n ASN 623 Ca 0.15 0.47 -0.43 0.00 0.87 0.00 0.00 54.58 55.65 3h71 n ASN 623 Cb 0.20 -0.49 -0.02 0.00 -1.02 0.00 0.00 39.78 38.45 3h71 n ASN 623 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3h71 s ASP 624 N -2.97 6.70 -1.59 6.41 1.01 -0.60 -2.34 116.67 123.29 3h71 s ASP 624 Ca 0.09 1.95 0.00 0.00 0.71 0.00 0.00 52.55 55.30 3h71 s ASP 624 Cb 0.12 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.51 3h71 s ASP 624 CO 0.33 -0.94 0.00 -3.20 0.21 0.00 0.00 175.17 171.57 3h71 n ASN 625 N 7.21 -5.03 -4.77 0.27 5.15 0.09 -4.96 115.26 113.22 3h71 n ASN 625 Ca 0.16 0.14 -0.39 0.00 -0.60 0.00 0.00 54.58 53.89 3h71 n ASN 625 Cb 0.44 -4.09 -0.06 0.00 -0.53 0.00 0.00 39.78 35.53 3h71 n ASN 625 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3h71 s ARG 626 N -4.34 4.60 -0.27 1.20 3.52 -0.99 -4.77 118.95 117.89 3h71 s ARG 626 Ca 0.00 1.19 -0.25 0.00 -0.13 0.00 0.00 55.73 56.54 3h71 s ARG 626 Cb 0.00 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 3h71 s ARG 626 CO 0.00 0.56 0.88 -1.14 -0.81 0.00 0.00 175.30 174.78 3h71 s GLN 627 N -1.11 4.12 -0.03 5.12 -0.44 -1.26 -1.42 119.66 124.64 3h71 s GLN 627 Ca 0.36 0.91 0.03 0.00 -2.50 0.00 0.00 55.36 54.17 3h71 s GLN 627 Cb -0.23 -3.68 -0.00 0.00 -1.64 0.00 0.00 33.01 27.46 3h71 s GLN 627 CO 0.27 -0.63 -0.11 0.08 0.50 0.00 0.00 175.29 175.40 3h71 s VAL 628 N 3.03 0.94 -1.03 1.34 1.01 0.41 -4.78 120.40 121.31 3h71 s VAL 628 Ca 0.37 -0.46 -0.10 0.00 0.00 0.00 0.00 61.98 61.79 3h71 s VAL 628 Cb -0.14 -0.82 0.09 0.00 0.00 0.00 0.00 36.38 35.51 3h71 s VAL 628 CO 0.10 0.28 0.34 0.47 0.00 0.00 0.00 175.10 176.29 3h71 n ASP 629 N 3.17 -2.32 0.00 3.32 8.00 -1.26 0.32 116.55 127.79 3h71 n ASP 629 Ca -0.17 -0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.01 3h71 n ASP 629 Cb 0.54 -2.00 0.00 0.00 -0.02 0.00 0.00 41.12 39.64 3h71 n ASP 629 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h71 n GLY 630 N -0.91 1.04 3.29 0.44 0.00 -1.26 -5.05 105.19 102.74 3h71 n GLY 630 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 3h71 n GLY 630 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3h71 s GLN 631 N -0.64 1.22 0.25 1.61 2.00 0.15 -5.09 119.66 119.17 3h71 s GLN 631 Ca 0.00 -1.60 -0.21 0.00 -2.00 0.00 0.00 55.36 51.55 3h71 s GLN 631 Cb 0.00 -0.50 -0.09 0.00 0.80 0.00 0.00 33.01 33.22 3h71 s GLN 631 CO 0.00 -0.08 0.78 0.15 -0.50 0.00 0.00 175.29 175.64 3h71 s LYS 632 N -3.86 4.32 0.37 1.67 -0.14 -1.26 0.16 119.74 121.00 3h71 s LYS 632 Ca 0.25 0.98 0.04 0.00 -1.36 0.00 0.00 55.97 55.87 3h71 s LYS 632 Cb 0.05 -2.84 -0.04 0.00 -1.68 0.00 0.00 37.83 33.33 3h71 s LYS 632 CO 0.06 0.35 0.11 0.96 -0.76 0.00 0.00 175.35 176.08 3h71 s ILE 633 N -1.57 0.71 -0.05 2.17 -4.36 -0.51 -4.90 121.20 112.70 3h71 s ILE 633 Ca 0.45 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 58.78 3h71 s ILE 633 Cb -0.17 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.07 3h71 s ILE 633 CO 0.21 0.00 0.16 -2.28 0.24 0.00 0.00 174.94 173.27 3h71 s HIS 634 N -3.30 -0.14 0.56 1.37 2.46 -1.25 -0.74 115.29 114.26 3h71 s HIS 634 Ca 0.29 0.33 0.26 0.00 0.47 0.00 0.00 55.06 56.40 3h71 s HIS 634 Cb 0.04 0.04 1.49 0.00 -0.13 0.00 0.00 32.58 34.02 3h71 s HIS 634 CO 0.15 -0.13 2.05 0.66 -2.47 0.00 0.00 174.74 175.00 3h71 h SER 635 N 5.56 0.00 1.30 9.88 4.64 -1.94 -1.77 113.55 131.21 3h71 h SER 635 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3h71 h SER 635 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3h71 h SER 635 CO 0.40 0.00 -0.05 -1.54 -0.87 0.00 0.00 176.83 174.77 3h71 n SER 636 N -4.13 0.61 -3.14 4.97 3.41 -1.26 -4.44 113.62 109.64 3h71 n SER 636 Ca 0.05 0.51 -0.23 0.00 -0.26 0.00 0.00 58.87 58.94 3h71 n SER 636 Cb 0.43 -0.64 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 3h71 n SER 636 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h71 n THR 637 N -2.05 1.04 0.00 6.66 -2.24 -0.67 -4.63 114.28 112.39 3h71 n THR 637 Ca 0.06 -4.87 0.00 0.00 -2.27 0.00 0.00 64.05 56.96 3h71 n THR 637 Cb 0.41 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 3h71 n THR 637 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3h71 n ASN 639 N 0.38 0.00 -3.48 3.42 2.85 -1.20 -4.91 115.26 112.32 3h71 n ASN 639 Ca 0.27 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.54 3h71 n ASN 639 Cb 0.53 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.42 3h71 n ASN 639 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 3h71 s ASN 640 N 0.00 1.72 0.13 1.20 3.84 -0.31 -4.97 114.94 116.55 3h71 s ASN 640 Ca 0.00 -0.48 -0.23 0.00 0.21 0.00 0.00 52.86 52.36 3h71 s ASN 640 Cb 0.00 0.31 -0.02 0.00 -0.55 0.00 0.00 41.25 40.99 3h71 s ASN 640 CO 0.00 -0.35 1.66 -0.09 -2.79 0.00 0.00 177.10 175.52 3h71 h ARG 641 N 8.31 -0.21 0.00 0.43 2.43 -1.78 -2.66 114.38 120.91 3h71 h ARG 641 Ca -0.16 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 3h71 h ARG 641 Cb 1.12 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3h71 h ARG 641 CO 0.31 -0.14 0.00 -0.09 -1.51 0.00 0.00 179.97 178.54 3h71 h ARG 642 N -0.22 0.00 -0.01 0.20 2.43 -1.92 -2.77 114.38 112.09 3h71 h ARG 642 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3h71 h ARG 642 Cb 0.36 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3h71 h ARG 642 CO -0.26 0.00 -0.10 0.00 -1.51 0.00 0.00 179.97 178.10 3h71 n ALA 643 N -1.93 2.76 -1.60 2.80 0.00 -1.01 -4.68 120.51 116.85 3h71 n ALA 643 Ca 0.01 -0.46 -0.33 0.00 0.00 0.00 0.00 53.44 52.66 3h71 n ALA 643 Cb 0.24 -1.12 0.03 0.00 0.00 0.00 0.00 19.45 18.60 3h71 n ALA 643 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3h71 s GLN 644 N -2.17 3.06 -0.09 0.00 -0.21 -1.05 -4.98 119.66 114.22 3h71 s GLN 644 Ca 0.32 1.36 -0.04 0.00 0.02 0.00 0.00 55.36 57.02 3h71 s GLN 644 Cb 0.20 -1.99 0.04 0.00 1.00 0.00 0.00 33.01 32.27 3h71 s GLN 644 CO 0.40 -1.04 0.20 0.54 -2.12 0.00 0.00 175.29 173.27 3h71 s ASN 645 N -2.53 -0.19 0.00 5.90 2.20 -0.62 -4.49 114.94 115.20 3h71 s ASN 645 Ca 0.67 0.41 0.00 0.00 -0.94 0.00 0.00 52.86 53.00 3h71 s ASN 645 Cb -0.19 0.30 0.00 0.00 -2.00 0.00 0.00 41.25 39.36 3h71 s ASN 645 CO 0.38 -0.15 0.00 0.35 -2.94 0.00 0.00 177.10 174.73 3h71 n THR 646 N 4.18 0.00 -1.78 0.54 -2.24 -0.31 -0.90 114.28 113.77 3h71 n THR 646 Ca -0.26 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.12 3h71 n THR 646 Cb 0.52 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 3h71 n THR 646 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h71 s GLU 647 N 2.44 3.90 0.22 -0.78 2.02 -1.26 -4.27 118.70 120.97 3h71 s GLU 647 Ca 0.00 2.53 -0.04 0.00 0.02 0.00 0.00 54.97 57.48 3h71 s GLU 647 Cb 0.00 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.38 3h71 s GLU 647 CO 0.00 -0.68 0.25 -1.54 0.02 0.00 0.00 175.26 173.30 3h71 s SER 648 N -0.28 0.14 -0.01 -0.19 1.04 -1.26 -0.53 113.70 112.61 3h71 s SER 648 Ca 0.57 -1.27 0.03 0.00 0.48 0.00 0.00 55.95 55.76 3h71 s SER 648 Cb -0.46 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.11 3h71 s SER 648 CO 0.61 -0.95 -0.10 0.28 0.98 0.00 0.00 173.24 174.06 3h71 s THR 649 N -4.07 0.79 -0.03 2.02 -1.32 -0.16 -4.72 115.64 108.14 3h71 s THR 649 Ca 0.34 -0.41 0.05 0.00 -1.21 0.00 0.00 61.69 60.46 3h71 s THR 649 Cb 0.04 -0.67 -0.03 0.00 -1.51 0.00 0.00 72.50 70.34 3h71 s THR 649 CO 0.12 0.23 -0.17 0.54 -2.21 0.00 0.00 174.62 173.13 3h71 s VAL 650 N -0.11 2.84 0.01 5.08 0.11 -1.26 -1.03 120.40 126.03 3h71 s VAL 650 Ca 0.02 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 3h71 s VAL 650 Cb -0.05 -2.10 -0.01 0.00 -1.53 0.00 0.00 36.38 32.69 3h71 s VAL 650 CO -0.00 0.56 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.63 3h71 s VAL 651 N -0.73 0.03 -0.10 2.04 1.01 -0.50 -4.77 120.40 117.39 3h71 s VAL 651 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 61.98 61.84 3h71 s VAL 651 Cb -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 3h71 s VAL 651 CO 0.01 -0.13 -0.06 -1.58 0.00 0.00 0.00 175.10 173.33 3h71 s GLN 652 N -0.40 3.08 0.54 2.72 0.74 -1.26 0.07 119.66 125.15 3h71 s GLN 652 Ca -0.04 -0.54 -0.03 0.00 0.05 0.00 0.00 55.36 54.79 3h71 s GLN 652 Cb -0.03 -2.70 0.01 0.00 1.10 0.00 0.00 33.01 31.39 3h71 s GLN 652 CO -0.00 0.51 0.81 -0.51 -0.55 0.00 0.00 175.29 175.55 3h71 s LEU 653 N -0.39 3.37 0.50 3.68 1.43 0.52 -4.89 118.68 122.90 3h71 s LEU 653 Ca 0.06 0.51 0.24 0.00 -1.03 0.00 0.00 54.13 53.91 3h71 s LEU 653 Cb -0.12 -3.35 1.32 0.00 0.03 0.00 0.00 46.19 44.07 3h71 s LEU 653 CO 0.02 -0.95 2.04 0.78 0.23 0.00 0.00 176.35 178.47 3h71 h ASN 654 N 0.03 0.00 0.02 2.29 2.35 -2.00 -1.23 115.58 117.05 3h71 h ASN 654 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3h71 h ASN 654 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 3h71 h ASN 654 CO 0.59 0.15 0.00 -0.46 -1.65 0.00 0.00 177.43 176.06 3h71 n ASN 655 N -3.76 0.00 0.00 5.81 2.04 -1.26 -4.88 115.26 113.21 3h71 n ASN 655 Ca -0.02 -0.80 0.00 0.00 -0.44 0.00 0.00 54.58 53.33 3h71 n ASN 655 Cb 0.25 -0.01 0.00 0.00 -2.53 0.00 0.00 39.78 37.49 3h71 n ASN 655 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3h71 n GLY 656 N 0.67 3.28 3.77 4.83 0.00 -0.46 -5.03 105.19 112.25 3h71 n GLY 656 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3h71 n GLY 656 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h71 s ASP 657 N -1.07 5.47 -0.15 1.61 1.01 -1.26 -4.72 116.67 117.56 3h71 s ASP 657 Ca 0.00 2.12 -0.02 0.00 0.71 0.00 0.00 52.55 55.37 3h71 s ASP 657 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 3h71 s ASP 657 CO 0.00 -1.39 -0.09 -0.69 0.21 0.00 0.00 175.17 173.21 3h71 s VAL 658 N -1.97 3.28 -0.10 -1.27 1.01 -0.41 -0.36 120.40 120.58 3h71 s VAL 658 Ca 0.71 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3h71 s VAL 658 Cb -0.23 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3h71 s VAL 658 CO 0.33 0.50 -0.02 -0.54 0.00 0.00 0.00 175.10 175.36 3h71 s LYS 659 N 0.57 3.16 -0.24 2.72 -0.14 0.11 -0.52 119.74 125.40 3h71 s LYS 659 Ca -0.06 -0.47 0.02 0.00 -1.36 0.00 0.00 55.97 54.10 3h71 s LYS 659 Cb -0.15 -2.79 0.05 0.00 -1.68 0.00 0.00 37.83 33.26 3h71 s LYS 659 CO 0.03 0.55 -0.12 -1.17 -0.76 0.00 0.00 175.35 173.88 3h71 s LEU 660 N -0.47 3.12 0.51 3.17 2.96 0.11 -1.41 118.68 126.67 3h71 s LEU 660 Ca 0.08 -1.25 -0.02 0.00 -0.22 0.00 0.00 54.13 52.72 3h71 s LEU 660 Cb -0.12 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.09 3h71 s LEU 660 CO 0.02 -0.16 0.77 -0.36 -1.32 0.00 0.00 176.35 175.29 3h71 s PHE 661 N 1.17 3.19 -0.08 5.38 0.40 -0.20 -1.18 117.98 126.66 3h71 s PHE 661 Ca -0.06 0.36 0.05 0.00 -0.60 0.00 0.00 56.93 56.67 3h71 s PHE 661 Cb -0.19 -2.52 -0.01 0.00 0.51 0.00 0.00 43.02 40.82 3h71 s PHE 661 CO -0.06 -0.59 -0.24 0.50 0.70 0.00 0.00 175.22 175.53 3h71 s ARG 663 N -4.74 2.72 0.05 0.44 3.52 0.31 -0.99 118.95 120.27 3h71 s ARG 663 Ca 0.51 -0.87 -0.01 0.00 -0.13 0.00 0.00 55.73 55.24 3h71 s ARG 663 Cb -0.10 -2.18 0.00 0.00 -1.56 0.00 0.00 34.95 31.11 3h71 s ARG 663 CO 0.41 0.28 0.07 0.41 -0.81 0.00 0.00 175.30 175.66 3h71 n GLY 664 N 3.23 2.77 0.85 8.12 0.00 -1.26 -1.16 105.19 117.74 3h71 n GLY 664 Ca -0.18 -1.34 0.01 0.00 0.00 0.00 0.00 46.02 44.51 3h71 n GLY 664 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h71 n LEU 665 N 0.00 3.41 -0.08 0.99 4.77 -1.26 -4.03 117.00 120.79 3h71 n LEU 665 Ca -0.00 -3.77 0.11 0.00 -0.03 0.00 0.00 56.01 52.32 3h71 n LEU 665 Cb 0.08 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 40.63 3h71 n LEU 665 CO 0.04 1.27 0.19 0.35 -1.33 0.00 0.00 177.39 177.91 3h71 n THR 666 N -1.12 0.00 0.00 -5.08 -2.24 -1.26 -4.94 114.28 99.64 3h71 n THR 666 Ca 0.26 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 3h71 n THR 666 Cb 0.86 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 3h71 n THR 666 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3h71 n GLY 667 N 1.48 1.87 3.31 3.38 0.00 -1.25 -5.00 105.19 108.97 3h71 n GLY 667 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 3h71 n GLY 667 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h71 s ASP 668 N -2.65 1.25 -0.04 1.61 1.47 -1.26 -1.50 116.67 115.55 3h71 s ASP 668 Ca 0.00 -1.50 -0.30 0.00 1.18 0.00 0.00 52.55 51.94 3h71 s ASP 668 Cb 0.00 0.33 -0.05 0.00 -0.34 0.00 0.00 42.92 42.86 3h71 s ASP 668 CO 0.00 -0.85 1.57 -0.22 0.68 0.00 0.00 175.17 176.36 3h71 s LEU 669 N -3.33 4.31 -0.16 2.11 2.96 0.00 -4.50 118.68 120.08 3h71 s LEU 669 Ca 0.37 2.19 -0.05 0.00 -0.22 0.00 0.00 54.13 56.42 3h71 s LEU 669 Cb 0.06 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 3h71 s LEU 669 CO 0.16 -0.87 0.00 -1.10 -1.32 0.00 0.00 176.35 173.22 3h71 s GLN 670 N 3.55 3.71 -0.05 1.98 -0.21 -1.26 -0.63 119.66 126.75 3h71 s GLN 670 Ca 0.70 -0.44 0.01 0.00 0.02 0.00 0.00 55.36 55.65 3h71 s GLN 670 Cb -0.33 -3.01 0.02 0.00 1.00 0.00 0.00 33.01 30.69 3h71 s GLN 670 CO 0.28 0.31 -0.06 0.08 -2.12 0.00 0.00 175.29 173.78 3h71 s VAL 671 N 0.21 0.67 0.19 1.09 1.01 0.88 -4.44 120.40 120.01 3h71 s VAL 671 Ca 0.00 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.84 3h71 s VAL 671 Cb -0.13 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 3h71 s VAL 671 CO 0.02 0.25 0.13 0.00 0.00 0.00 0.00 175.10 175.51 3h71 s ALA 672 N 0.84 3.53 -0.03 5.51 0.00 -0.33 -0.96 121.76 130.32 3h71 s ALA 672 Ca -0.12 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 50.58 3h71 s ALA 672 Cb -0.15 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.67 3h71 s ALA 672 CO 0.01 0.43 -0.13 0.99 0.00 0.00 0.00 175.76 177.06 3h71 s THR 673 N -1.86 1.13 -0.07 0.00 2.01 -1.26 -0.71 115.64 114.87 3h71 s THR 673 Ca 0.31 -0.56 0.05 0.00 0.31 0.00 0.00 61.69 61.81 3h71 s THR 673 Cb -0.09 -0.97 -0.01 0.00 0.01 0.00 0.00 72.50 71.44 3h71 s THR 673 CO 0.23 0.33 -0.24 -0.55 -0.69 0.00 0.00 174.62 173.71 3h71 s SER 674 N 0.04 2.96 0.00 3.53 0.15 0.33 -0.02 113.70 120.70 3h71 s SER 674 Ca -0.02 -0.50 0.20 0.00 0.70 0.00 0.00 55.95 56.32 3h71 s SER 674 Cb -0.09 -0.95 0.19 0.00 -1.71 0.00 0.00 66.02 63.45 3h71 s SER 674 CO 0.01 0.21 1.15 0.29 1.20 0.00 0.00 173.24 176.11 3h71 n LYS 675 N 3.12 1.83 -2.24 5.44 5.02 -1.26 -1.29 118.16 128.78 3h71 n LYS 675 Ca -0.18 -1.74 -0.18 0.00 -2.02 0.00 0.00 58.31 54.19 3h71 n LYS 675 Cb 0.52 -1.39 0.03 0.00 -0.02 0.00 0.00 35.03 34.17 3h71 n LYS 675 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3h71 n ASP 676 N 1.13 4.03 -0.51 4.39 5.68 -1.26 -4.93 116.55 125.08 3h71 n ASP 676 Ca 0.12 -3.29 -0.06 0.00 -0.50 0.00 0.00 54.79 51.07 3h71 n ASP 676 Cb 0.50 -0.38 -0.02 0.00 -1.14 0.00 0.00 41.12 40.09 3h71 n ASP 676 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3h71 n GLY 677 N -0.68 0.58 0.99 6.12 0.00 -1.26 -3.70 105.19 107.24 3h71 n GLY 677 Ca 0.34 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3h71 n GLY 677 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h71 n GLY 678 N -1.84 0.73 0.12 -0.02 0.00 -1.26 -4.97 105.19 97.94 3h71 n GLY 678 Ca -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.77 3h71 n GLY 678 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h71 h VAL 679 N 0.00 1.52 -2.85 1.61 2.07 -1.92 -3.41 116.25 113.27 3h71 h VAL 679 Ca 0.00 -2.38 -0.53 0.00 0.82 0.00 0.00 66.70 64.62 3h71 h VAL 679 Cb 0.00 3.05 -0.16 0.00 -1.52 0.00 0.00 31.29 32.66 3h71 h VAL 679 CO 0.00 0.67 -0.76 0.42 0.02 0.00 0.00 177.57 177.92 3h71 s THR 680 N -2.64 2.00 -0.03 2.57 -4.23 -1.26 0.15 115.64 112.19 3h71 s THR 680 Ca -0.14 -2.16 0.08 0.00 -1.18 0.00 0.00 61.69 58.28 3h71 s THR 680 Cb 0.01 -2.06 -0.02 0.00 1.34 0.00 0.00 72.50 71.78 3h71 s THR 680 CO 0.81 -0.43 -0.25 0.26 -0.54 0.00 0.00 174.62 174.47 3h71 s TRP 681 N -2.49 2.31 0.90 3.99 0.52 -1.26 -4.21 118.94 118.71 3h71 s TRP 681 Ca 0.22 -0.49 -0.11 0.00 0.02 0.00 0.00 56.10 55.75 3h71 s TRP 681 Cb -0.04 -1.49 0.13 0.00 -1.15 0.00 0.00 33.47 30.92 3h71 s TRP 681 CO 0.09 -0.07 1.10 -1.21 0.02 0.00 0.00 176.95 176.88 3h71 s GLU 682 N -0.51 1.22 0.60 4.98 0.41 0.98 -4.99 118.70 121.38 3h71 s GLU 682 Ca 0.07 1.14 -0.16 0.00 -0.41 0.00 0.00 54.97 55.61 3h71 s GLU 682 Cb -0.11 -1.78 -0.03 0.00 -1.78 0.00 0.00 34.13 30.43 3h71 s GLU 682 CO -0.00 -2.36 1.09 0.21 -0.49 0.00 0.00 175.26 173.71 3h71 s LYS 683 N -4.79 3.17 -0.16 1.61 2.20 -1.26 -4.69 119.74 115.83 3h71 s LYS 683 Ca 0.64 1.36 -0.03 0.00 -0.36 0.00 0.00 55.97 57.58 3h71 s LYS 683 Cb -0.20 -2.00 0.01 0.00 -1.51 0.00 0.00 37.83 34.13 3h71 s LYS 683 CO 0.58 -0.95 0.07 -0.25 -0.36 0.00 0.00 175.35 174.43 3h71 n ASP 684 N -1.96 -3.72 -4.76 1.43 8.00 -1.26 -4.96 116.55 109.32 3h71 n ASP 684 Ca 0.10 0.87 -0.41 0.00 0.71 0.00 0.00 54.79 56.06 3h71 n ASP 684 Cb 0.52 -3.68 -0.03 0.00 -0.02 0.00 0.00 41.12 37.91 3h71 n ASP 684 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3h71 s ILE 685 N -0.76 3.05 -0.05 0.53 1.09 -1.26 -4.92 121.20 118.88 3h71 s ILE 685 Ca -0.08 1.04 -0.16 0.00 -1.10 0.00 0.00 60.65 60.35 3h71 s ILE 685 Cb 0.01 -3.66 -0.05 0.00 -1.06 0.00 0.00 42.46 37.69 3h71 s ILE 685 CO 0.49 0.24 0.43 -0.75 -0.10 0.00 0.00 174.94 175.25 3h71 s LYS 686 N -1.48 4.11 -0.06 2.79 2.47 -0.13 -4.88 119.74 122.56 3h71 s LYS 686 Ca 0.48 0.42 0.04 0.00 -1.56 0.00 0.00 55.97 55.35 3h71 s LYS 686 Cb -0.37 -3.31 -0.02 0.00 -1.46 0.00 0.00 37.83 32.67 3h71 s LYS 686 CO 0.47 0.47 -0.15 1.03 0.16 0.00 0.00 175.35 177.33 3h71 s ARG 687 N -0.39 2.57 -0.37 4.03 0.52 -1.26 -0.08 118.95 123.97 3h71 s ARG 687 Ca 0.24 -0.72 0.04 0.00 -0.52 0.00 0.00 55.73 54.77 3h71 s ARG 687 Cb -0.16 -2.38 0.10 0.00 0.52 0.00 0.00 34.95 33.04 3h71 s ARG 687 CO 0.12 0.57 0.09 0.71 0.02 0.00 0.00 175.30 176.81 3h71 s TYR 688 N -0.60 3.69 0.66 -0.53 2.02 0.20 -4.96 117.35 117.83 3h71 s TYR 688 Ca 0.09 -2.99 0.44 0.00 -0.37 0.00 0.00 57.07 54.23 3h71 s TYR 688 Cb -0.11 -2.94 2.41 0.00 -0.40 0.00 0.00 41.96 40.92 3h71 s TYR 688 CO 0.01 -0.93 2.37 -1.35 -1.57 0.00 0.00 175.55 174.08 3h71 h PRO 689 N 7.50 0.00 0.00 -1.71 0.11 -1.96 -1.61 132.00 134.33 3h71 h PRO 689 Ca -0.05 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3h71 h PRO 689 Cb 1.01 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 3h71 h PRO 689 CO 0.55 0.00 -0.11 1.96 -0.21 0.00 0.00 178.00 180.19 3h71 h GLN 690 N 0.00 0.00 -4.90 1.05 7.50 -1.97 -3.39 115.11 113.40 3h71 h GLN 690 Ca -0.00 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.48 3h71 h GLN 690 Cb 0.01 0.00 -0.36 0.00 0.05 0.00 0.00 27.48 27.17 3h71 h GLN 690 CO 0.00 0.11 -0.80 0.08 -1.50 0.00 0.00 178.83 176.71 3h71 s VAL 691 N -4.02 2.20 0.62 -0.54 1.01 -0.61 -5.09 120.40 113.97 3h71 s VAL 691 Ca -0.02 -1.51 -0.16 0.00 0.00 0.00 0.00 61.98 60.29 3h71 s VAL 691 Cb 0.12 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.24 3h71 s VAL 691 CO 0.57 0.06 1.09 -0.54 0.00 0.00 0.00 175.10 176.28 3h71 s LYS 692 N 1.14 3.05 -0.20 2.72 -0.14 -1.26 -0.82 119.74 124.22 3h71 s LYS 692 Ca -0.07 1.36 -0.04 0.00 -1.36 0.00 0.00 55.97 55.86 3h71 s LYS 692 Cb -0.19 -1.99 0.07 0.00 -1.68 0.00 0.00 37.83 34.05 3h71 s LYS 692 CO -0.06 -1.05 0.09 0.34 -0.76 0.00 0.00 175.35 173.91 3h71 s ASP 693 N -2.54 2.74 -0.09 2.83 2.15 -0.56 -4.60 116.67 116.60 3h71 s ASP 693 Ca 0.67 -0.83 0.07 0.00 0.43 0.00 0.00 52.55 52.89 3h71 s ASP 693 Cb -0.19 -0.34 0.36 0.00 -0.30 0.00 0.00 42.92 42.45 3h71 s ASP 693 CO 0.38 -0.37 1.09 1.33 -0.17 0.00 0.00 175.17 177.43 3h71 n VAL 694 N 5.23 1.15 -1.96 1.11 0.24 -1.26 -3.80 118.33 119.05 3h71 n VAL 694 Ca -0.07 -0.61 -0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3h71 n VAL 694 Cb 0.47 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 3h71 n VAL 694 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h71 n TYR 695 N 0.31 -0.86 -3.54 6.34 9.36 -1.26 -4.93 117.16 122.57 3h71 n TYR 695 Ca 0.12 0.33 -0.13 0.00 3.32 0.00 0.00 57.90 61.54 3h71 n TYR 695 Cb 0.63 -2.29 -0.04 0.00 -0.63 0.00 0.00 39.34 37.00 3h71 n TYR 695 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3h71 s VAL 696 N -3.01 0.03 1.39 2.97 0.11 -1.26 -5.01 120.40 115.61 3h71 s VAL 696 Ca 0.01 -0.23 -0.21 0.00 -2.93 0.00 0.00 61.98 58.62 3h71 s VAL 696 Cb -0.00 -1.02 0.35 0.00 -1.53 0.00 0.00 36.38 34.19 3h71 s VAL 696 CO 0.22 -0.13 0.88 1.67 -3.33 0.00 0.00 175.10 174.41 3h71 n GLN 697 N 0.13 -4.15 -3.52 1.54 0.00 -1.26 -4.75 117.38 105.36 3h71 n GLN 697 Ca -0.18 -1.22 -0.17 0.00 -0.00 0.00 0.00 57.00 55.43 3h71 n GLN 697 Cb 0.62 -1.97 -0.06 0.00 0.00 0.00 0.00 30.24 28.83 3h71 n GLN 697 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 3h71 s SER 699 N -2.83 -0.63 -0.03 1.69 1.04 -1.05 -4.59 113.70 107.30 3h71 s SER 699 Ca 0.67 0.63 -0.12 0.00 0.48 0.00 0.00 55.95 57.61 3h71 s SER 699 Cb -0.16 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.52 3h71 s SER 699 CO 0.59 -0.64 0.25 0.00 0.98 0.00 0.00 173.24 174.42 3h71 s ALA 700 N -1.43 -0.63 0.03 5.32 0.00 -1.26 -0.96 121.76 122.83 3h71 s ALA 700 Ca -0.10 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.15 3h71 s ALA 700 Cb -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3h71 s ALA 700 CO 0.08 -0.22 -0.04 0.96 0.00 0.00 0.00 175.76 176.53 3h71 s ILE 701 N -1.05 0.26 0.38 0.00 -4.36 -0.14 -4.72 121.20 111.56 3h71 s ILE 701 Ca -0.11 -1.11 -0.17 0.00 -0.26 0.00 0.00 60.65 59.00 3h71 s ILE 701 Cb -0.05 -0.57 -0.09 0.00 1.25 0.00 0.00 42.46 43.00 3h71 s ILE 701 CO 0.03 -0.55 0.82 -2.28 0.24 0.00 0.00 174.94 173.20 3h71 s HIS 702 N -1.83 3.36 0.00 1.37 5.65 -1.26 -1.47 115.29 121.11 3h71 s HIS 702 Ca -0.10 1.34 0.00 0.00 0.25 0.00 0.00 55.06 56.55 3h71 s HIS 702 Cb -0.07 -2.64 0.00 0.00 -1.18 0.00 0.00 32.58 28.69 3h71 s HIS 702 CO -0.02 -0.02 0.00 -2.37 -0.65 0.00 0.00 174.74 171.69 3h71 n THR 703 N -0.60 0.00 0.00 0.89 5.66 -0.65 -4.91 114.28 114.66 3h71 n THR 703 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 3h71 n THR 703 Cb 0.54 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.32 3h71 n THR 703 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 3h71 n HIS 705 N 0.00 0.00 -3.90 1.09 -0.00 -0.47 -1.09 115.22 110.85 3h71 n HIS 705 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.43 3h71 n HIS 705 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.01 3h71 n HIS 705 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3h71 n GLU 706 N 0.00 -5.05 -0.16 1.57 1.02 -1.26 -1.67 120.64 115.10 3h71 n GLU 706 Ca 0.00 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 3h71 n GLU 706 Cb 0.00 -5.32 0.00 0.00 -0.02 0.00 0.00 31.44 26.10 3h71 n GLU 706 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h71 n GLY 707 N -1.66 2.12 3.78 0.62 0.00 -1.26 -5.03 105.19 103.76 3h71 n GLY 707 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 3h71 n GLY 707 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h71 s LYS 708 N -0.19 2.86 -0.07 1.61 1.02 -0.67 -5.11 119.74 119.20 3h71 s LYS 708 Ca 0.00 -0.79 -0.13 0.00 0.02 0.00 0.00 55.97 55.07 3h71 s LYS 708 Cb 0.00 -2.67 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 3h71 s LYS 708 CO 0.00 0.52 0.33 -2.00 -0.92 0.00 0.00 175.35 173.29 3h71 s GLU 709 N -2.73 3.94 0.16 1.68 2.12 -1.26 -1.37 118.70 121.24 3h71 s GLU 709 Ca 0.30 0.24 -0.03 0.00 0.36 0.00 0.00 54.97 55.84 3h71 s GLU 709 Cb -0.11 -3.28 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3h71 s GLU 709 CO 0.22 0.56 0.14 0.71 -0.54 0.00 0.00 175.26 176.35 3h71 s TYR 710 N -0.58 0.82 -0.02 5.30 2.02 -0.25 -0.90 117.35 123.74 3h71 s TYR 710 Ca 0.21 -1.16 0.02 0.00 -0.37 0.00 0.00 57.07 55.76 3h71 s TYR 710 Cb -0.15 -0.39 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 3h71 s TYR 710 CO 0.09 -0.61 -0.06 0.42 -1.57 0.00 0.00 175.55 173.83 3h71 s ILE 711 N -4.06 0.52 -0.15 2.71 1.01 -0.11 -1.63 121.20 119.49 3h71 s ILE 711 Ca 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 3h71 s ILE 711 Cb 0.06 -0.50 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 3h71 s ILE 711 CO 0.04 0.18 -0.08 -0.63 0.00 0.00 0.00 174.94 174.45 3h71 s ILE 712 N 0.36 3.41 -0.04 2.92 1.01 -0.54 -1.17 121.20 127.15 3h71 s ILE 712 Ca -0.05 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.10 3h71 s ILE 712 Cb -0.09 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.92 3h71 s ILE 712 CO -0.00 0.50 -0.09 -0.22 0.00 0.00 0.00 174.94 175.13 3h71 s LEU 713 N 0.51 1.62 -0.02 2.97 0.20 0.05 -0.96 118.68 123.05 3h71 s LEU 713 Ca -0.06 -0.21 0.07 0.00 0.69 0.00 0.00 54.13 54.63 3h71 s LEU 713 Cb -0.15 -0.61 -0.02 0.00 -0.43 0.00 0.00 46.19 44.98 3h71 s LEU 713 CO 0.03 0.03 -0.24 -0.55 -0.29 0.00 0.00 176.35 175.33 3h71 s SER 714 N 0.52 2.85 0.13 3.68 0.15 -0.14 0.83 113.70 121.73 3h71 s SER 714 Ca -0.09 -0.44 -0.25 0.00 0.70 0.00 0.00 55.95 55.87 3h71 s SER 714 Cb -0.12 -0.38 0.08 0.00 -1.71 0.00 0.00 66.02 63.89 3h71 s SER 714 CO 0.01 0.29 1.07 0.54 1.20 0.00 0.00 173.24 176.35 3h71 s ASN 715 N -0.51 -0.06 0.32 5.45 6.03 -1.26 -2.54 114.94 122.37 3h71 s ASN 715 Ca 0.08 -0.48 -0.29 0.00 -1.03 0.00 0.00 52.86 51.14 3h71 s ASN 715 Cb -0.10 0.42 -0.10 0.00 -3.03 0.00 0.00 41.25 38.44 3h71 s ASN 715 CO -0.00 -0.81 1.39 0.00 -2.03 0.00 0.00 177.10 175.65 3h71 s ALA 716 N -2.53 3.56 -0.30 3.54 0.00 -1.26 -4.49 121.76 120.27 3h71 s ALA 716 Ca 0.18 1.37 0.22 0.00 0.00 0.00 0.00 51.96 53.73 3h71 s ALA 716 Cb -0.01 -3.54 0.12 0.00 0.00 0.00 0.00 23.12 19.69 3h71 s ALA 716 CO 0.03 -0.78 1.26 0.78 0.00 0.00 0.00 175.76 177.04 3h71 h GLY 717 N 3.72 0.00 0.00 0.00 0.00 -0.06 -3.43 103.07 103.31 3h71 h GLY 717 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3h71 h GLY 717 CO 0.68 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.83 3h71 n GLY 718 N 1.17 -2.51 0.23 4.60 0.00 -0.86 -4.88 105.19 102.94 3h71 n GLY 718 Ca 0.01 -1.92 0.08 0.00 0.00 0.00 0.00 46.02 44.19 3h71 n GLY 718 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h71 h PRO 719 N 0.00 0.00 0.00 1.61 0.13 -1.98 -3.43 132.00 128.33 3h71 h PRO 719 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3h71 h PRO 719 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3h71 h PRO 719 CO 0.00 0.19 0.00 1.63 -0.23 0.00 0.00 178.00 179.59 3h71 n LYS 720 N -4.00 3.25 -2.37 0.86 5.02 -1.26 -4.91 118.16 114.75 3h71 n LYS 720 Ca -0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.84 3h71 n LYS 720 Cb 0.27 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.28 3h71 n LYS 720 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h71 n ARG 721 N 0.00 3.08 -3.94 1.97 1.74 -1.26 -4.71 116.66 113.53 3h71 n ARG 721 Ca 0.00 -3.10 -0.09 0.00 -0.77 0.00 0.00 57.85 53.90 3h71 n ARG 721 Cb 0.00 -3.45 -0.04 0.00 -1.02 0.00 0.00 32.46 27.94 3h71 n ARG 721 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3h71 s GLU 722 N 4.04 1.58 -0.67 5.56 -1.05 -1.20 -1.04 118.70 125.93 3h71 s GLU 722 Ca 0.53 -1.16 -0.07 0.00 -0.15 0.00 0.00 54.97 54.12 3h71 s GLU 722 Cb 0.06 0.50 0.01 0.00 -0.44 0.00 0.00 34.13 34.27 3h71 s GLU 722 CO 0.04 -0.67 0.65 -1.71 0.95 0.00 0.00 175.26 174.52 3h71 n ASN 723 N -0.39 -6.88 -4.09 0.83 5.15 0.67 -1.80 115.26 108.74 3h71 n ASN 723 Ca -0.03 -0.18 -0.29 0.00 -0.60 0.00 0.00 54.58 53.48 3h71 n ASN 723 Cb 0.61 -4.07 0.24 0.00 -0.53 0.00 0.00 39.78 36.04 3h71 n ASN 723 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 3h71 s GLY 724 N -2.76 1.52 -0.24 8.20 0.00 -0.02 -0.62 107.32 113.41 3h71 s GLY 724 Ca 0.09 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.19 3h71 s GLY 724 CO 0.80 0.23 0.29 -1.34 0.00 0.00 0.00 173.10 173.08 3h71 s VAL 726 N -2.68 -0.43 -0.04 1.40 -7.23 0.02 0.55 120.40 111.99 3h71 s VAL 726 Ca 0.68 -0.22 -0.24 0.00 -1.81 0.00 0.00 61.98 60.39 3h71 s VAL 726 Cb -0.17 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 3h71 s VAL 726 CO 0.59 -0.27 0.71 -1.00 -0.31 0.00 0.00 175.10 174.83 3h71 s HIS 727 N 2.40 3.62 -0.17 2.82 3.76 0.24 -3.37 115.29 124.59 3h71 s HIS 727 Ca 0.09 1.30 -0.02 0.00 -0.15 0.00 0.00 55.06 56.28 3h71 s HIS 727 Cb -0.15 -2.80 -0.02 0.00 1.11 0.00 0.00 32.58 30.72 3h71 s HIS 727 CO -0.20 0.14 -0.08 -1.17 -0.85 0.00 0.00 174.74 172.58 3h71 s LEU 728 N 0.58 2.91 0.01 0.89 2.96 -0.29 -0.77 118.68 124.97 3h71 s LEU 728 Ca 0.38 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 54.05 3h71 s LEU 728 Cb -0.18 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.79 3h71 s LEU 728 CO 0.19 0.10 -0.20 0.00 -1.32 0.00 0.00 176.35 175.13 3h71 s ALA 729 N 0.74 1.64 -0.11 5.97 0.00 -0.32 0.01 121.76 129.69 3h71 s ALA 729 Ca -0.03 -0.92 -0.12 0.00 0.00 0.00 0.00 51.96 50.88 3h71 s ALA 729 Cb -0.15 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 3h71 s ALA 729 CO 0.02 0.38 0.28 0.50 0.00 0.00 0.00 175.76 176.94 3h71 s ARG 730 N -0.77 3.98 -0.62 0.00 3.52 0.70 -0.93 118.95 124.83 3h71 s ARG 730 Ca 0.07 0.11 -0.21 0.00 -0.13 0.00 0.00 55.73 55.58 3h71 s ARG 730 Cb -0.08 -3.32 0.09 0.00 -1.56 0.00 0.00 34.95 30.08 3h71 s ARG 730 CO 0.00 0.48 0.82 0.08 -0.81 0.00 0.00 175.30 175.88 3h71 s VAL 731 N -0.27 4.60 1.10 7.11 1.01 -0.07 -1.16 120.40 132.71 3h71 s VAL 731 Ca 0.18 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 3h71 s VAL 731 Cb -0.14 -4.58 0.22 0.00 0.00 0.00 0.00 36.38 31.88 3h71 s VAL 731 CO 0.06 -1.28 0.83 -0.62 0.00 0.00 0.00 175.10 174.09 3h71 n GLU 732 N 6.95 -1.79 0.08 2.72 -0.58 0.99 -4.59 120.64 124.43 3h71 n GLU 732 Ca -0.07 -0.49 0.03 0.00 -0.42 0.00 0.00 57.16 56.22 3h71 n GLU 732 Cb 0.44 -2.11 0.41 0.00 -0.57 0.00 0.00 31.44 29.60 3h71 n GLU 732 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 3h71 h GLU 733 N -2.36 0.35 -0.33 3.49 4.39 -1.96 -1.28 114.58 116.88 3h71 h GLU 733 Ca -0.55 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.09 3h71 h GLU 733 Cb 1.32 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3h71 h GLU 733 CO 0.45 0.37 0.00 0.27 -1.16 0.00 0.00 179.01 178.93 3h71 n ASN 734 N -4.36 0.88 0.00 1.42 0.23 -1.26 -4.86 115.26 107.31 3h71 n ASN 734 Ca 0.00 -2.04 0.00 0.00 -0.53 0.00 0.00 54.58 52.02 3h71 n ASN 734 Cb 0.19 -0.19 0.00 0.00 -2.08 0.00 0.00 39.78 37.69 3h71 n ASN 734 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h71 n GLY 735 N 0.52 1.99 3.81 4.83 0.00 -0.48 -5.02 105.19 110.83 3h71 n GLY 735 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 3h71 n GLY 735 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h71 s GLU 736 N -0.07 2.95 -0.18 1.61 2.02 -1.26 -4.71 118.70 119.05 3h71 s GLU 736 Ca 0.00 1.05 -0.05 0.00 0.02 0.00 0.00 54.97 55.99 3h71 s GLU 736 Cb 0.00 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.22 3h71 s GLU 736 CO 0.00 -1.10 -0.01 -0.51 0.02 0.00 0.00 175.26 173.66 3h71 s LEU 737 N -5.33 3.26 -0.24 1.80 1.43 -1.26 -0.01 118.68 118.33 3h71 s LEU 737 Ca 0.60 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.52 3h71 s LEU 737 Cb -0.15 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.29 3h71 s LEU 737 CO 0.51 0.11 -0.09 -0.89 0.23 0.00 0.00 176.35 176.21 3h71 s THR 738 N 0.75 2.69 -0.17 5.49 2.01 -0.31 -4.93 115.64 121.17 3h71 s THR 738 Ca -0.01 -1.06 -0.29 0.00 0.31 0.00 0.00 61.69 60.64 3h71 s THR 738 Cb -0.14 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.01 3h71 s THR 738 CO 0.02 0.23 1.16 0.26 -0.69 0.00 0.00 174.62 175.60 3h71 s TRP 739 N 1.30 3.11 -0.25 4.92 0.52 -1.26 -0.21 118.94 127.07 3h71 s TRP 739 Ca 0.00 1.24 -0.01 0.00 0.02 0.00 0.00 56.10 57.35 3h71 s TRP 739 Cb -0.16 -3.39 -0.15 0.00 -1.15 0.00 0.00 33.47 28.62 3h71 s TRP 739 CO -0.06 -1.12 -0.24 1.28 0.02 0.00 0.00 176.95 176.84 3h71 n LEU 740 N 6.20 2.78 -4.07 2.99 4.77 0.10 -4.98 117.00 124.79 3h71 n LEU 740 Ca 0.12 -0.05 -0.08 0.00 -0.03 0.00 0.00 56.01 55.97 3h71 n LEU 740 Cb 0.46 -0.84 -0.10 0.00 -2.33 0.00 0.00 43.42 40.60 3h71 n LEU 740 CO 0.54 0.85 -0.37 -0.75 -1.33 0.00 0.00 177.39 176.33 3h71 s LYS 741 N -2.49 0.57 -0.30 3.23 2.47 -1.15 -4.99 119.74 117.08 3h71 s LYS 741 Ca -0.34 -1.07 0.19 0.00 -1.56 0.00 0.00 55.97 53.19 3h71 s LYS 741 Cb 0.09 0.10 0.47 0.00 -1.46 0.00 0.00 37.83 37.03 3h71 s LYS 741 CO 0.55 -0.07 1.14 0.72 0.16 0.00 0.00 175.35 177.84 3h71 n HIS 742 N 0.51 0.45 -1.93 4.03 8.25 -1.26 -1.14 115.22 124.13 3h71 n HIS 742 Ca -0.17 -2.28 -0.41 0.00 -0.26 0.00 0.00 57.72 54.60 3h71 n HIS 742 Cb 0.59 0.12 -0.02 0.00 1.12 0.00 0.00 29.99 31.81 3h71 n HIS 742 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3h71 s ASN 743 N -2.99 6.55 0.32 0.41 0.01 -1.22 -4.64 114.94 113.37 3h71 s ASN 743 Ca 0.24 2.79 -0.28 0.00 -0.71 0.00 0.00 52.86 54.90 3h71 s ASN 743 Cb 0.39 -2.63 -0.09 0.00 0.41 0.00 0.00 41.25 39.32 3h71 s ASN 743 CO -0.03 -0.76 1.14 -2.16 -1.51 0.00 0.00 177.10 173.78 3h71 s PRO 744 N -0.72 4.47 -0.00 -0.60 0.04 -1.26 -0.80 135.00 136.12 3h71 s PRO 744 Ca 0.59 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.52 3h71 s PRO 744 Cb -0.44 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 3h71 s PRO 744 CO 0.48 0.03 0.07 1.51 0.04 0.00 0.00 177.00 179.13 3h71 n ILE 745 N 0.86 0.00 -3.26 0.56 3.06 0.19 -4.87 119.36 115.89 3h71 n ILE 745 Ca 0.00 -0.11 -0.02 0.00 -2.50 0.00 0.00 62.75 60.12 3h71 n ILE 745 Cb 0.45 0.51 -0.04 0.00 0.54 0.00 0.00 39.64 41.09 3h71 n ILE 745 CO 0.00 0.00 0.00 -1.58 -2.50 0.00 0.00 176.55 172.47 3h71 s GLN 746 N -2.08 0.47 0.80 9.51 2.00 -1.10 -4.98 119.66 124.27 3h71 s GLN 746 Ca -0.01 0.83 -0.11 0.00 -2.00 0.00 0.00 55.36 54.07 3h71 s GLN 746 Cb 0.02 0.14 0.07 0.00 0.80 0.00 0.00 33.01 34.03 3h71 s GLN 746 CO 0.12 -0.60 1.09 -1.59 -0.50 0.00 0.00 175.29 173.80 3h71 s LYS 747 N 2.72 2.08 1.66 1.67 -2.85 -1.26 -0.84 119.74 122.92 3h71 s LYS 747 Ca 0.16 0.90 0.00 0.00 -1.00 0.00 0.00 55.97 56.03 3h71 s LYS 747 Cb -0.15 -1.90 0.00 0.00 -2.06 0.00 0.00 37.83 33.72 3h71 s LYS 747 CO -0.19 -1.69 0.00 0.41 0.10 0.00 0.00 175.35 173.98 3h71 n GLY 748 N -1.56 -1.69 3.65 0.59 0.00 -1.26 -4.69 105.19 100.23 3h71 n GLY 748 Ca 0.08 -1.35 -0.47 0.00 0.00 0.00 0.00 46.02 44.29 3h71 n GLY 748 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3h71 n GLU 749 N -0.01 1.85 -3.67 1.61 -0.58 -1.26 -0.24 120.64 118.34 3h71 n GLU 749 Ca 0.00 0.66 -0.08 0.00 -0.42 0.00 0.00 57.16 57.32 3h71 n GLU 749 Cb 0.00 -2.33 -0.09 0.00 -0.57 0.00 0.00 31.44 28.45 3h71 n GLU 749 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3h71 s PHE 750 N 0.29 -0.85 0.00 -0.32 5.36 -0.20 -4.05 117.98 118.21 3h71 s PHE 750 Ca 0.74 1.69 0.00 0.00 -0.96 0.00 0.00 56.93 58.40 3h71 s PHE 750 Cb -0.72 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 42.40 3h71 s PHE 750 CO 0.46 -0.46 0.00 0.00 -1.46 0.00 0.00 175.22 173.76 3h71 n ALA 751 N 4.60 0.00 -1.75 11.12 0.00 -0.74 -3.25 120.51 130.49 3h71 n ALA 751 Ca -0.19 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.88 3h71 n ALA 751 Cb 0.55 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.03 3h71 n ALA 751 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h71 s TYR 752 N 2.77 2.40 0.21 0.00 1.51 -1.26 -4.63 117.35 118.35 3h71 s TYR 752 Ca 0.00 1.42 -0.15 0.00 -1.01 0.00 0.00 57.07 57.33 3h71 s TYR 752 Cb 0.00 -3.69 0.01 0.00 -0.11 0.00 0.00 41.96 38.17 3h71 s TYR 752 CO 0.00 -2.59 0.49 0.54 -1.11 0.00 0.00 175.55 172.88 3h71 s ASN 753 N -1.09 -0.16 -0.15 2.29 4.22 -1.26 -0.31 114.94 118.48 3h71 s ASN 753 Ca 0.71 -0.70 -0.06 0.00 -2.14 0.00 0.00 52.86 50.67 3h71 s ASN 753 Cb -0.37 0.57 0.07 0.00 1.28 0.00 0.00 41.25 42.80 3h71 s ASN 753 CO 0.44 -1.08 0.31 -0.55 -2.04 0.00 0.00 177.10 174.18 3h71 s SER 754 N -2.94 0.07 0.10 3.54 0.15 0.65 -4.28 113.70 110.99 3h71 s SER 754 Ca 0.15 0.72 -0.01 0.00 0.70 0.00 0.00 55.95 57.51 3h71 s SER 754 Cb -0.01 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 65.11 3h71 s SER 754 CO 0.02 -0.23 0.28 -0.76 1.20 0.00 0.00 173.24 173.75 3h71 s LEU 755 N 2.29 4.32 -0.14 3.45 1.43 -1.26 -1.30 118.68 127.47 3h71 s LEU 755 Ca -0.01 0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 53.29 3h71 s LEU 755 Cb -0.12 -3.06 0.04 0.00 0.03 0.00 0.00 46.19 43.08 3h71 s LEU 755 CO -0.10 0.11 0.39 -1.10 0.23 0.00 0.00 176.35 175.88 3h71 s GLN 756 N -2.72 0.48 0.02 1.70 -1.52 -0.46 -4.89 119.66 112.28 3h71 s GLN 756 Ca 0.37 0.50 -0.26 0.00 -1.95 0.00 0.00 55.36 54.02 3h71 s GLN 756 Cb -0.12 0.23 -0.05 0.00 -0.22 0.00 0.00 33.01 32.85 3h71 s GLN 756 CO 0.27 -0.07 0.80 -2.00 -0.25 0.00 0.00 175.29 174.04 3h71 s GLU 757 N 0.09 4.51 -0.02 2.91 2.12 -1.26 -0.28 118.70 126.77 3h71 s GLU 757 Ca -0.01 1.11 0.22 0.00 0.36 0.00 0.00 54.97 56.65 3h71 s GLU 757 Cb -0.03 -3.39 -0.33 0.00 0.26 0.00 0.00 34.13 30.64 3h71 s GLU 757 CO 0.01 0.19 0.51 1.28 -0.54 0.00 0.00 175.26 176.72 3h71 n LEU 758 N 3.13 0.07 0.00 2.70 4.77 0.04 -4.89 117.00 122.82 3h71 n LEU 758 Ca -0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 3h71 n LEU 758 Cb 0.50 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3h71 n LEU 758 CO 0.48 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 3h71 n GLY 759 N 1.27 2.39 2.99 -0.72 0.00 -1.08 -4.92 105.19 105.13 3h71 n GLY 759 Ca -0.03 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.83 3h71 n GLY 759 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3h71 n ASN 760 N 0.00 -5.61 -0.01 1.61 5.15 -1.26 -1.60 115.26 113.55 3h71 n ASN 760 Ca 0.00 -0.26 -0.00 0.00 -0.60 0.00 0.00 54.58 53.72 3h71 n ASN 760 Cb 0.00 -4.57 -0.00 0.00 -0.53 0.00 0.00 39.78 34.68 3h71 n ASN 760 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3h71 n GLY 761 N -1.39 0.48 3.62 8.20 0.00 -1.26 -5.00 105.19 109.85 3h71 n GLY 761 Ca -0.11 -0.14 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 3h71 n GLY 761 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h71 s GLU 762 N -0.31 2.27 0.07 1.61 2.02 -0.62 -1.61 118.70 122.12 3h71 s GLU 762 Ca 0.00 -1.07 0.02 0.00 0.02 0.00 0.00 54.97 53.93 3h71 s GLU 762 Cb 0.00 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 3h71 s GLU 762 CO 0.00 0.48 -0.07 0.71 0.02 0.00 0.00 175.26 176.40 3h71 s TYR 763 N -1.50 0.76 0.13 1.61 2.02 0.81 -0.78 117.35 120.40 3h71 s TYR 763 Ca 0.25 -0.78 0.06 0.00 -0.37 0.00 0.00 57.07 56.23 3h71 s TYR 763 Cb -0.10 -0.45 -0.04 0.00 -0.40 0.00 0.00 41.96 40.97 3h71 s TYR 763 CO 0.16 -0.15 -0.14 0.20 -1.57 0.00 0.00 175.55 174.05 3h71 s GLY 764 N -2.49 1.12 -0.11 0.71 0.00 0.61 -1.23 107.32 105.93 3h71 s GLY 764 Ca 0.03 -1.34 -0.07 0.00 0.00 0.00 0.00 44.72 43.34 3h71 s GLY 764 CO -0.03 -1.40 0.27 -1.50 0.00 0.00 0.00 173.10 170.43 3h71 s ILE 765 N -2.24 -0.02 -0.18 0.90 2.07 -0.55 -1.35 121.20 119.82 3h71 s ILE 765 Ca 0.11 0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.41 3h71 s ILE 765 Cb -0.04 -0.40 -0.02 0.00 0.13 0.00 0.00 42.46 42.13 3h71 s ILE 765 CO 0.03 0.04 -0.06 -0.22 -1.91 0.00 0.00 174.94 172.82 3h71 s LEU 766 N 0.89 2.97 0.14 8.50 2.96 -0.42 -1.91 118.68 131.81 3h71 s LEU 766 Ca -0.06 -0.29 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 3h71 s LEU 766 Cb -0.07 -1.72 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 3h71 s LEU 766 CO -0.06 0.09 0.20 -0.72 -1.32 0.00 0.00 176.35 174.54 3h71 s TYR 767 N 0.84 0.50 -0.11 5.38 1.13 -0.10 -0.25 117.35 124.74 3h71 s TYR 767 Ca -0.02 -0.88 -0.19 0.00 -1.41 0.00 0.00 57.07 54.58 3h71 s TYR 767 Cb -0.15 -0.18 -0.04 0.00 -1.10 0.00 0.00 41.96 40.49 3h71 s TYR 767 CO 0.01 -0.63 0.50 -1.21 -2.51 0.00 0.00 175.55 171.71 3h71 s GLU 768 N -3.98 4.35 0.06 -3.49 2.02 0.58 -1.28 118.70 116.96 3h71 s GLU 768 Ca 0.17 0.50 -0.27 0.00 0.02 0.00 0.00 54.97 55.39 3h71 s GLU 768 Cb 0.05 -3.44 0.07 0.00 0.10 0.00 0.00 34.13 30.91 3h71 s GLU 768 CO -0.01 0.14 0.63 -1.58 0.02 0.00 0.00 175.26 174.46 3h71 s HIS 769 N 0.67 -0.59 0.04 1.61 2.46 -0.92 -1.80 115.29 116.76 3h71 s HIS 769 Ca 0.27 0.71 -0.03 0.00 0.47 0.00 0.00 55.06 56.48 3h71 s HIS 769 Cb -0.15 0.48 -0.02 0.00 -0.13 0.00 0.00 32.58 32.75 3h71 s HIS 769 CO 0.11 -0.73 0.04 0.95 -2.47 0.00 0.00 174.74 172.65 3h71 s THR 770 N -2.49 0.16 -0.09 0.89 -4.23 -1.26 -2.01 115.64 106.62 3h71 s THR 770 Ca -0.05 -1.31 -0.31 0.00 -1.18 0.00 0.00 61.69 58.84 3h71 s THR 770 Cb -0.01 -1.04 0.12 0.00 1.34 0.00 0.00 72.50 72.91 3h71 s THR 770 CO -0.02 -0.72 1.00 -1.83 -0.54 0.00 0.00 174.62 172.51 3h71 s GLU 771 N -2.97 0.63 -1.44 3.99 -1.05 -1.26 -4.36 118.70 112.25 3h71 s GLU 771 Ca -0.02 -0.17 -0.08 0.00 -0.15 0.00 0.00 54.97 54.56 3h71 s GLU 771 Cb 0.01 0.29 0.05 0.00 -0.44 0.00 0.00 34.13 34.04 3h71 s GLU 771 CO -0.06 -0.26 0.85 1.63 0.95 0.00 0.00 175.26 178.37 3h71 n LYS 772 N -0.02 -5.24 -0.97 -4.83 5.02 -1.26 -2.04 118.16 108.82 3h71 n LYS 772 Ca -0.06 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 3h71 n LYS 772 Cb 0.60 -5.34 0.00 0.00 -0.02 0.00 0.00 35.03 30.27 3h71 n LYS 772 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h71 n GLY 773 N -1.66 0.78 3.76 0.72 0.00 -1.26 -4.86 105.19 102.66 3h71 n GLY 773 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 3h71 n GLY 773 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h71 n GLN 774 N -2.19 2.60 -2.39 1.61 6.02 -0.87 -0.43 117.38 121.73 3h71 n GLN 774 Ca 0.00 0.91 -0.35 0.00 -0.01 0.00 0.00 57.00 57.55 3h71 n GLN 774 Cb 0.01 -2.62 -0.02 0.00 1.02 0.00 0.00 30.24 28.64 3h71 n GLN 774 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3h71 s ASN 775 N -0.15 6.02 -0.21 1.08 0.02 0.53 -4.64 114.94 117.58 3h71 s ASN 775 Ca 0.53 2.07 -0.29 0.00 -1.02 0.00 0.00 52.86 54.15 3h71 s ASN 775 Cb -0.49 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.18 3h71 s ASN 775 CO 0.64 -1.01 1.61 0.00 0.02 0.00 0.00 177.10 178.36 3h71 s ALA 776 N -1.86 3.29 0.25 0.60 0.00 -1.26 -3.80 121.76 118.99 3h71 s ALA 776 Ca 0.70 0.48 0.02 0.00 0.00 0.00 0.00 51.96 53.16 3h71 s ALA 776 Cb -0.21 -3.84 -0.04 0.00 0.00 0.00 0.00 23.12 19.03 3h71 s ALA 776 CO 0.24 -1.91 0.15 0.71 0.00 0.00 0.00 175.76 174.95 3h71 s TYR 777 N 5.12 1.41 -0.14 0.00 2.02 0.01 -4.30 117.35 121.47 3h71 s TYR 777 Ca 0.71 -1.39 -0.03 0.00 -0.37 0.00 0.00 57.07 55.99 3h71 s TYR 777 Cb -0.25 -0.70 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 3h71 s TYR 777 CO 0.29 -0.60 -0.05 0.99 -1.57 0.00 0.00 175.55 174.61 3h71 s THR 778 N -3.87 3.81 -0.27 -0.71 2.01 -0.85 -2.78 115.64 112.99 3h71 s THR 778 Ca 0.38 -0.40 -0.13 0.00 0.31 0.00 0.00 61.69 61.86 3h71 s THR 778 Cb 0.06 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.88 3h71 s THR 778 CO 0.16 0.51 0.27 -0.76 -0.69 0.00 0.00 174.62 174.11 3h71 s LEU 779 N 0.18 4.04 0.29 4.42 1.02 -0.36 -2.18 118.68 126.09 3h71 s LEU 779 Ca -0.02 0.14 0.11 0.00 0.02 0.00 0.00 54.13 54.38 3h71 s LEU 779 Cb -0.14 -2.26 -0.05 0.00 0.02 0.00 0.00 46.19 43.76 3h71 s LEU 779 CO 0.03 -0.10 -0.13 -0.44 0.02 0.00 0.00 176.35 175.73 3h71 s SER 780 N 1.62 3.85 0.09 2.29 0.01 -0.41 -0.43 113.70 120.73 3h71 s SER 780 Ca 0.11 -0.97 0.10 0.00 1.31 0.00 0.00 55.95 56.50 3h71 s SER 780 Cb -0.16 -0.44 -0.03 0.00 0.21 0.00 0.00 66.02 65.60 3h71 s SER 780 CO 0.10 -0.02 -0.26 0.12 0.41 0.00 0.00 173.24 173.59 3h71 s PHE 781 N -2.48 2.26 -0.01 2.43 5.36 0.14 -0.92 117.98 124.75 3h71 s PHE 781 Ca 0.31 -0.40 -0.09 0.00 -0.96 0.00 0.00 56.93 55.79 3h71 s PHE 781 Cb -0.04 -1.28 0.01 0.00 -0.34 0.00 0.00 43.02 41.36 3h71 s PHE 781 CO 0.17 0.23 0.19 1.03 -1.46 0.00 0.00 175.22 175.37 3h71 s ARG 782 N -1.66 0.49 -0.05 10.12 0.52 -0.80 -1.56 118.95 126.02 3h71 s ARG 782 Ca 0.12 -0.26 0.06 0.00 -0.52 0.00 0.00 55.73 55.13 3h71 s ARG 782 Cb -0.10 0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.57 3h71 s ARG 782 CO 0.04 -0.12 -0.23 0.21 0.02 0.00 0.00 175.30 175.22 3h71 s LYS 783 N -1.18 2.33 0.11 3.54 2.20 -1.26 -1.48 119.74 124.00 3h71 s LYS 783 Ca -0.13 -0.84 -0.00 0.00 -0.36 0.00 0.00 55.97 54.64 3h71 s LYS 783 Cb -0.06 -2.01 -0.04 0.00 -1.51 0.00 0.00 37.83 34.21 3h71 s LYS 783 CO 0.02 0.37 0.00 -0.59 -0.36 0.00 0.00 175.35 174.80 3h71 s PHE 784 N -0.17 0.82 0.53 4.03 -0.71 -0.37 -1.15 117.98 120.96 3h71 s PHE 784 Ca -0.02 -1.11 0.03 0.00 -1.04 0.00 0.00 56.93 54.80 3h71 s PHE 784 Cb -0.13 -0.49 0.03 0.00 -1.21 0.00 0.00 43.02 41.22 3h71 s PHE 784 CO 0.03 -0.37 0.29 0.27 -1.34 0.00 0.00 175.22 174.09 3h71 n ASN 785 N -0.05 2.91 -0.35 1.98 2.04 -1.05 -0.13 115.26 120.60 3h71 n ASN 785 Ca -0.09 -2.95 0.03 0.00 -0.44 0.00 0.00 54.58 51.13 3h71 n ASN 785 Cb 0.62 0.07 0.17 0.00 -2.53 0.00 0.00 39.78 38.12 3h71 n ASN 785 CO 0.00 0.00 0.00 -0.25 -0.44 0.00 0.00 177.26 176.57 3h71 h TRP 786 N 0.83 1.13 -0.68 -2.53 2.91 -1.67 -2.49 115.95 113.45 3h71 h TRP 786 Ca -0.36 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.64 3h71 h TRP 786 Cb 1.25 -0.37 -0.03 0.00 -0.51 0.00 0.00 29.16 29.50 3h71 h TRP 786 CO 0.00 0.56 0.25 -0.44 -1.03 0.00 0.00 178.44 177.78 3h71 h ASP 787 N 1.09 0.94 -0.75 2.65 3.32 -1.88 0.17 116.42 121.95 3h71 h ASP 787 Ca 0.43 -0.15 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 3h71 h ASP 787 Cb 0.22 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3h71 h ASP 787 CO -0.19 0.85 0.23 0.15 -1.72 0.00 0.00 179.24 178.57 3h71 h PHE 788 N 0.99 1.21 -0.10 4.55 3.57 -1.72 -1.32 116.94 124.11 3h71 h PHE 788 Ca 0.23 -0.12 -0.18 0.00 3.53 0.00 0.00 57.97 61.42 3h71 h PHE 788 Cb 0.23 -0.35 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 3h71 h PHE 788 CO 0.02 0.95 -0.69 1.25 -2.23 0.00 0.00 178.31 177.61 3h71 h LEU 789 N 1.11 0.52 0.00 0.59 5.85 -1.09 -3.36 115.31 118.94 3h71 h LEU 789 Ca 0.24 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.63 3h71 h LEU 789 Cb 0.31 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3h71 h LEU 789 CO -0.01 1.06 -1.02 -1.54 -0.34 0.00 0.00 178.44 176.59 3h71 n SER 790 N -3.87 0.87 -4.65 1.25 3.41 0.55 -4.76 113.62 106.42 3h71 n SER 790 Ca -0.04 -0.87 -0.28 0.00 -0.26 0.00 0.00 58.87 57.42 3h71 n SER 790 Cb 0.68 1.09 -0.08 0.00 -0.26 0.00 0.00 64.21 65.64 3h71 n SER 790 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h71 s LYS 791 N -2.90 2.38 0.81 4.33 1.02 -0.51 -4.97 119.74 119.91 3h71 s LYS 791 Ca 0.06 -1.02 -0.13 0.00 0.02 0.00 0.00 55.97 54.90 3h71 s LYS 791 Cb 0.15 -2.39 0.09 0.00 -0.52 0.00 0.00 37.83 35.15 3h71 s LYS 791 CO 0.81 0.49 1.20 -0.51 -0.92 0.00 0.00 175.35 176.41 3h71 s ASP 792 N -2.64 3.57 0.00 2.83 1.01 -1.26 -4.86 116.67 115.32 3h71 s ASP 792 Ca 0.26 2.34 0.24 0.00 0.71 0.00 0.00 52.55 56.10 3h71 s ASP 792 Cb -0.10 -2.59 0.23 0.00 1.01 0.00 0.00 42.92 41.47 3h71 s ASP 792 CO 0.18 -2.68 1.28 0.18 0.21 0.00 0.00 175.17 174.34