#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ign s ALA 361 N 0.00 0.10 0.38 7.82 0.00 -1.26 -5.15 121.76 123.64 1ign s ALA 361 Ca 0.00 -0.35 -0.18 0.00 0.00 0.00 0.00 51.96 51.43 1ign s ALA 361 Cb 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 23.12 23.10 1ign s ALA 361 CO 0.00 -0.08 0.86 -1.12 0.00 0.00 0.00 175.76 175.42 1ign s SER 362 N -0.84 6.87 -0.15 0.00 0.01 -1.26 -5.02 113.70 113.31 1ign s SER 362 Ca -0.09 1.52 -0.23 0.00 1.31 0.00 0.00 55.95 58.46 1ign s SER 362 Cb -0.06 -2.47 -0.02 0.00 0.21 0.00 0.00 66.02 63.68 1ign s SER 362 CO -0.01 -0.29 0.72 -0.36 0.41 0.00 0.00 173.24 173.71 1ign s PHE 363 N -2.10 3.45 0.51 2.43 0.08 -1.26 -5.06 117.98 116.04 1ign s PHE 363 Ca 0.59 1.14 -0.06 0.00 0.12 0.00 0.00 56.93 58.72 1ign s PHE 363 Cb -0.10 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.45 1ign s PHE 363 CO 0.15 -0.12 0.83 0.95 -0.10 0.00 0.00 175.22 176.92 1ign s THR 364 N 1.68 4.71 0.34 0.64 -4.23 -1.26 -4.94 115.64 112.58 1ign s THR 364 Ca 0.35 0.24 0.02 0.00 -1.18 0.00 0.00 61.69 61.12 1ign s THR 364 Cb -0.17 -3.81 0.23 0.00 1.34 0.00 0.00 72.50 70.10 1ign s THR 364 CO 0.13 -0.83 1.97 -0.78 -0.54 0.00 0.00 174.62 174.57 1ign h ASP 365 N 0.11 0.70 -0.20 3.99 3.58 -1.99 -2.02 116.42 120.59 1ign h ASP 365 Ca -0.46 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 56.93 1ign h ASP 365 Cb 1.21 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 42.07 1ign h ASP 365 CO 0.62 0.56 0.11 -0.33 -2.88 0.00 0.00 179.24 177.32 1ign h GLU 366 N 0.79 0.28 -0.49 0.28 3.07 -1.99 -1.09 114.58 115.43 1ign h GLU 366 Ca 0.20 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.02 1ign h GLU 366 Cb 0.02 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1ign h GLU 366 CO -0.03 0.25 0.23 0.93 -1.40 0.00 0.00 179.01 178.99 1ign h GLU 367 N 0.23 0.70 -0.57 2.33 5.08 -1.87 -0.90 114.58 119.58 1ign h GLU 367 Ca 0.07 -0.10 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1ign h GLU 367 Cb 0.05 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 1ign h GLU 367 CO -0.01 0.59 0.32 -0.44 -1.00 0.00 0.00 179.01 178.47 1ign h ASP 368 N 0.64 0.51 0.41 1.42 3.32 -1.16 0.36 116.42 121.92 1ign h ASP 368 Ca 0.17 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 1ign h ASP 368 Cb 0.12 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1ign h ASP 368 CO -0.02 0.35 -0.39 -0.33 -1.72 0.00 0.00 179.24 177.13 1ign h GLU 369 N 0.63 0.00 -0.08 3.56 4.39 -0.93 -1.09 114.58 121.06 1ign h GLU 369 Ca 0.24 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.90 1ign h GLU 369 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1ign h GLU 369 CO -0.13 0.39 -0.10 0.35 -1.16 0.00 0.00 179.01 178.36 1ign h PHE 370 N 0.00 0.26 -0.35 4.33 3.57 -0.32 -2.12 116.94 122.30 1ign h PHE 370 Ca -0.00 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.47 1ign h PHE 370 Cb 0.71 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 39.34 1ign h PHE 370 CO 0.00 0.67 0.06 0.82 -2.23 0.00 0.00 178.31 177.63 1ign h ILE 371 N -0.23 0.81 -0.56 1.41 2.04 -0.79 -1.16 117.51 119.02 1ign h ILE 371 Ca 0.01 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1ign h ILE 371 Cb 0.64 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1ign h ILE 371 CO 0.02 0.03 0.31 -0.07 0.00 0.00 0.00 178.15 178.44 1ign h LEU 372 N 0.17 0.46 -0.56 1.44 3.38 -1.22 -2.01 115.31 116.98 1ign h LEU 372 Ca 0.17 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1ign h LEU 372 Cb 0.20 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ign h LEU 372 CO -0.23 0.31 0.30 -0.78 0.09 0.00 0.00 178.44 178.13 1ign h ASP 373 N 0.59 0.70 -0.73 -0.43 3.58 -0.97 -1.67 116.42 117.49 1ign h ASP 373 Ca 0.24 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1ign h ASP 373 Cb 0.12 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1ign h ASP 373 CO -0.15 0.60 0.30 0.58 -2.88 0.00 0.00 179.24 177.69 1ign h VAL 374 N 0.75 1.25 -0.25 2.25 2.07 -0.87 -1.84 116.25 119.61 1ign h VAL 374 Ca 0.20 -0.77 -0.15 0.00 0.82 0.00 0.00 66.70 66.80 1ign h VAL 374 Cb 0.05 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1ign h VAL 374 CO -0.03 0.31 -0.45 0.58 0.02 0.00 0.00 177.57 178.00 1ign h VAL 375 N 1.07 1.30 -0.28 2.57 2.07 -1.08 -1.98 116.25 119.91 1ign h VAL 375 Ca 0.25 -1.64 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 1ign h VAL 375 Cb 0.19 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 1ign h VAL 375 CO -0.02 0.52 -0.22 0.03 0.02 0.00 0.00 177.57 177.90 1ign h ARG 376 N 0.51 0.53 -0.01 1.57 3.08 -1.08 0.40 114.38 119.39 1ign h ARG 376 Ca 0.03 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.89 1ign h ARG 376 Cb 0.98 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.00 1ign h ARG 376 CO 0.09 0.72 -0.02 1.63 -1.07 0.00 0.00 179.97 181.32 1ign n LYS 377 N -4.13 1.25 -2.71 0.04 5.02 -0.71 -1.49 118.16 115.41 1ign n LYS 377 Ca -0.00 -0.47 -0.06 0.00 -2.02 0.00 0.00 58.31 55.76 1ign n LYS 377 Cb 0.39 -1.49 0.06 0.00 -0.02 0.00 0.00 35.03 33.97 1ign n LYS 377 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ign n ASN 378 N -0.46 0.76 -0.26 4.39 3.02 -0.76 -4.88 115.26 117.07 1ign n ASN 378 Ca 0.20 -2.45 0.25 0.00 -0.03 0.00 0.00 54.58 52.54 1ign n ASN 378 Cb 0.25 -0.20 0.59 0.00 -0.61 0.00 0.00 39.78 39.81 1ign n ASN 378 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ign h PRO 379 N 2.60 0.25 0.00 3.52 0.13 -1.05 -0.50 132.00 136.94 1ign h PRO 379 Ca -0.16 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1ign h PRO 379 Cb 1.23 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ign h PRO 379 CO 0.28 0.16 0.00 1.79 -0.23 0.00 0.00 178.00 180.00 1ign h THR 380 N 0.26 0.00 -0.31 1.56 1.35 -1.86 -2.64 112.91 111.27 1ign h THR 380 Ca 0.51 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1ign h THR 380 Cb 1.54 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.14 1ign h THR 380 CO -0.15 0.00 0.00 0.54 -0.25 0.00 0.00 175.52 175.66 1ign n ARG 381 N -2.59 2.33 -0.31 4.72 1.74 -0.20 -3.74 116.66 118.62 1ign n ARG 381 Ca 0.01 -2.13 0.27 0.00 -0.77 0.00 0.00 57.85 55.23 1ign n ARG 381 Cb 0.26 -1.46 0.60 0.00 -1.02 0.00 0.00 32.46 30.83 1ign n ARG 381 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1ign h ARG 382 N 4.12 0.23 -0.66 5.56 0.11 -1.47 -1.24 114.38 121.03 1ign h ARG 382 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1ign h ARG 382 Cb 0.92 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.95 1ign h ARG 382 CO 0.00 0.16 0.00 0.25 0.10 0.00 0.00 179.97 180.48 1ign n THR 383 N -4.46 1.22 -1.74 0.08 -2.24 -1.26 -4.96 114.28 100.91 1ign n THR 383 Ca 0.25 -1.06 -0.19 0.00 -2.27 0.00 0.00 64.05 60.77 1ign n THR 383 Cb 0.99 0.40 0.13 0.00 -2.10 0.00 0.00 70.33 69.75 1ign n THR 383 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ign n THR 384 N 1.35 0.00 -0.03 4.28 -2.24 -0.47 -5.01 114.28 112.16 1ign n THR 384 Ca 0.23 -0.71 -0.04 0.00 -2.27 0.00 0.00 64.05 61.26 1ign n THR 384 Cb 0.67 -1.58 -0.03 0.00 -2.10 0.00 0.00 70.33 67.28 1ign n THR 384 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1ign n HIS 385 N -3.09 0.00 -0.02 4.78 8.25 -1.26 -4.64 115.22 119.24 1ign n HIS 385 Ca 0.11 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.70 1ign n HIS 385 Cb 0.38 -0.25 0.55 0.00 1.12 0.00 0.00 29.99 31.79 1ign n HIS 385 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 1ign h THR 386 N 0.00 0.89 -0.43 1.59 1.35 -1.95 0.01 112.91 114.38 1ign h THR 386 Ca -0.14 -0.10 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 1ign h THR 386 Cb 1.23 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 68.21 1ign h THR 386 CO -0.02 0.05 0.23 0.25 -0.25 0.00 0.00 175.52 175.78 1ign h LEU 387 N 0.29 0.54 -0.87 3.87 5.85 -1.83 -1.58 115.31 121.57 1ign h LEU 387 Ca 0.23 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1ign h LEU 387 Cb 0.54 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.42 1ign h LEU 387 CO -0.05 0.48 -0.55 1.88 -0.34 0.00 0.00 178.44 179.86 1ign h TYR 388 N 0.55 0.00 -0.29 1.25 0.05 -1.32 -1.18 116.97 116.03 1ign h TYR 388 Ca 0.15 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.81 1ign h TYR 388 Cb 0.07 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1ign h TYR 388 CO -0.02 0.55 -0.30 0.22 -1.05 0.00 0.00 178.16 177.56 1ign h ASP 389 N 0.00 0.61 -0.22 3.88 3.58 -1.04 -1.76 116.42 121.47 1ign h ASP 389 Ca -0.01 -0.24 -0.18 0.00 0.42 0.00 0.00 57.03 57.03 1ign h ASP 389 Cb 1.00 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 41.88 1ign h ASP 389 CO 0.07 0.88 -0.53 -0.33 -2.88 0.00 0.00 179.24 176.45 1ign h GLU 390 N 0.51 0.80 -0.97 0.28 5.08 -0.77 -2.89 114.58 116.62 1ign h GLU 390 Ca 0.06 -0.50 0.04 0.00 -1.00 0.00 0.00 59.36 57.97 1ign h GLU 390 Cb 0.78 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 1ign h GLU 390 CO 0.06 1.13 0.63 0.82 -1.00 0.00 0.00 179.01 180.65 1ign h ILE 391 N 0.62 1.14 -0.05 3.13 2.04 -0.92 -1.52 117.51 121.95 1ign h ILE 391 Ca 0.02 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.48 1ign h ILE 391 Cb 1.12 -0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1ign h ILE 391 CO 0.11 0.22 0.30 0.77 0.00 0.00 0.00 178.15 179.56 1ign h SER 392 N 1.20 0.00 0.41 1.72 4.64 -1.10 0.89 113.55 121.32 1ign h SER 392 Ca 0.40 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.67 1ign h SER 392 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.13 1ign h SER 392 CO -0.14 0.00 -0.21 -0.74 -0.87 0.00 0.00 176.83 174.88 1ign h HIS 393 N 0.00 0.00 0.00 4.77 -0.00 -1.35 -2.59 115.15 115.99 1ign h HIS 393 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.29 1ign h HIS 393 Cb 0.63 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.02 1ign h HIS 393 CO 0.00 0.21 -2.10 0.66 -0.00 0.00 0.00 177.93 176.69 1ign n TYR 394 N -3.81 0.01 -3.26 5.26 4.02 0.29 -4.56 117.16 115.10 1ign n TYR 394 Ca -0.02 0.00 -0.25 0.00 -0.01 0.00 0.00 57.90 57.62 1ign n TYR 394 Cb 0.31 -0.64 -0.07 0.00 -0.02 0.00 0.00 39.34 38.92 1ign n TYR 394 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1ign n VAL 395 N -2.40 1.49 0.12 -0.72 0.24 -1.09 -4.98 118.33 111.00 1ign n VAL 395 Ca -0.12 -4.92 0.19 0.00 -2.04 0.00 0.00 64.34 57.45 1ign n VAL 395 Cb 0.73 -1.78 0.67 0.00 -1.47 0.00 0.00 33.84 32.00 1ign n VAL 395 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1ign h PRO 396 N 3.82 0.00 0.00 7.34 0.13 -1.71 -1.00 132.00 140.58 1ign h PRO 396 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1ign h PRO 396 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1ign h PRO 396 CO 0.71 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.57 1ign n ASN 397 N -3.37 0.45 -4.53 1.44 4.13 -1.26 -4.75 115.26 107.36 1ign n ASN 397 Ca 0.07 0.66 -0.27 0.00 1.68 0.00 0.00 54.58 56.72 1ign n ASN 397 Cb 0.72 -0.73 -0.10 0.00 -1.54 0.00 0.00 39.78 38.13 1ign n ASN 397 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1ign s HIS 398 N -3.31 2.11 0.30 3.10 3.76 -0.38 -4.62 115.29 116.25 1ign s HIS 398 Ca 0.02 -0.90 0.07 0.00 -0.15 0.00 0.00 55.06 54.10 1ign s HIS 398 Cb 0.07 -1.52 -0.06 0.00 1.11 0.00 0.00 32.58 32.18 1ign s HIS 398 CO 0.25 0.17 -0.07 0.95 -0.85 0.00 0.00 174.74 175.19 1ign s THR 399 N -2.98 1.82 0.26 1.30 -4.23 -1.26 -4.81 115.64 105.74 1ign s THR 399 Ca 0.27 -2.15 -0.01 0.00 -1.18 0.00 0.00 61.69 58.62 1ign s THR 399 Cb 0.07 -2.50 0.25 0.00 1.34 0.00 0.00 72.50 71.65 1ign s THR 399 CO 0.13 -0.27 1.72 1.23 -0.54 0.00 0.00 174.62 176.89 1ign h GLY 400 N 2.21 1.28 0.96 3.99 0.00 -1.68 0.15 103.07 109.98 1ign h GLY 400 Ca -0.40 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 46.78 1ign h GLY 400 CO 0.68 -0.15 0.23 3.43 0.00 0.00 0.00 176.54 180.73 1ign h ASN 401 N 0.43 0.40 0.38 0.19 2.35 -1.77 0.57 115.58 118.13 1ign h ASN 401 Ca 0.47 -0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 56.02 1ign h ASN 401 Cb 0.77 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 39.05 1ign h ASN 401 CO -0.45 0.29 -0.79 0.77 -1.65 0.00 0.00 177.43 175.59 1ign h SER 402 N 0.48 0.40 -0.30 5.81 4.64 -1.51 -2.50 113.55 120.56 1ign h SER 402 Ca 0.14 -0.28 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 1ign h SER 402 Cb -0.03 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1ign h SER 402 CO -0.05 1.04 -0.09 0.40 -0.87 0.00 0.00 176.83 177.26 1ign h ILE 403 N 0.20 1.28 -0.02 0.95 2.04 -0.62 0.15 117.51 121.49 1ign h ILE 403 Ca -0.04 -1.14 -0.00 0.00 1.00 0.00 0.00 64.86 64.68 1ign h ILE 403 Cb 1.38 1.40 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 1ign h ILE 403 CO 0.13 0.36 0.01 -0.09 0.00 0.00 0.00 178.15 178.56 1ign h ARG 404 N 0.36 0.03 -0.27 2.37 2.43 -0.91 0.18 114.38 118.57 1ign h ARG 404 Ca 0.07 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1ign h ARG 404 Cb 0.58 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 1ign h ARG 404 CO 0.03 0.17 0.18 1.25 -1.51 0.00 0.00 179.97 180.09 1ign h HIS 405 N -0.12 0.35 -0.30 2.20 2.76 -1.45 0.41 115.15 119.00 1ign h HIS 405 Ca 0.01 0.01 0.05 0.00 -2.20 0.00 0.00 60.37 58.24 1ign h HIS 405 Cb 0.15 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 28.94 1ign h HIS 405 CO -0.03 0.23 -0.03 -0.09 -1.30 0.00 0.00 177.93 176.72 1ign h ARG 406 N 0.36 0.05 0.53 5.26 9.65 -0.43 -0.40 114.38 129.40 1ign h ARG 406 Ca 0.10 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1ign h ARG 406 Cb -0.02 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 28.55 1ign h ARG 406 CO -0.02 0.04 -0.25 0.35 2.80 0.00 0.00 179.97 182.88 1ign h PHE 407 N 0.05 -0.66 -0.76 2.20 3.57 -0.05 0.47 116.94 121.77 1ign h PHE 407 Ca 0.14 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1ign h PHE 407 Cb 0.20 0.22 -0.10 0.00 2.79 0.00 0.00 35.95 39.06 1ign h PHE 407 CO -0.24 -0.41 -0.55 0.00 -2.23 0.00 0.00 178.31 174.88 1ign h ARG 408 N -0.75 -0.13 0.03 1.11 3.08 -0.12 0.31 114.38 117.92 1ign h ARG 408 Ca -0.07 0.01 -0.24 0.00 0.07 0.00 0.00 59.98 59.75 1ign h ARG 408 Cb 0.54 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1ign h ARG 408 CO 0.12 -0.08 -1.16 0.28 -1.07 0.00 0.00 179.97 178.05 1ign h VAL 409 N -0.13 1.54 0.00 2.04 2.07 -1.17 -3.38 116.25 117.22 1ign h VAL 409 Ca 0.12 -3.24 -0.19 0.00 0.82 0.00 0.00 66.70 64.21 1ign h VAL 409 Cb 0.45 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 33.01 1ign h VAL 409 CO -0.78 0.90 -1.60 -1.22 0.02 0.00 0.00 177.57 174.89 1ign n TYR 410 N -3.36 0.00 0.16 1.57 4.01 -0.01 -4.79 117.16 114.74 1ign n TYR 410 Ca -0.05 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.73 1ign n TYR 410 Cb 0.98 -0.43 0.19 0.00 -0.31 0.00 0.00 39.34 39.77 1ign n TYR 410 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 1ign h LEU 411 N -0.45 0.00 -1.50 7.72 3.38 0.38 -3.34 115.31 121.51 1ign h LEU 411 Ca -0.29 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.77 1ign h LEU 411 Cb 1.21 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1ign h LEU 411 CO -0.18 0.46 0.45 0.77 0.09 0.00 0.00 178.44 180.04 1ign h SER 412 N 0.00 0.51 0.29 -0.43 4.64 -0.64 0.54 113.55 118.46 1ign h SER 412 Ca -0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1ign h SER 412 Cb 1.13 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1ign h SER 412 CO 0.06 0.31 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 1ign n LYS 413 N -4.48 0.02 -0.02 4.77 5.02 -1.25 -1.73 118.16 120.48 1ign n LYS 413 Ca 0.11 0.33 0.05 0.00 -2.02 0.00 0.00 58.31 56.78 1ign n LYS 413 Cb 0.33 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.89 1ign n LYS 413 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1ign n ARG 414 N -1.47 0.59 0.16 1.97 1.74 0.17 -4.72 116.66 115.10 1ign n ARG 414 Ca 0.02 -1.16 -0.15 0.00 -0.77 0.00 0.00 57.85 55.79 1ign n ARG 414 Cb 0.10 -1.19 -0.08 0.00 -1.02 0.00 0.00 32.46 30.27 1ign n ARG 414 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1ign h LEU 415 N 1.87 -1.24 0.00 0.55 6.46 -1.19 -3.44 115.31 118.32 1ign h LEU 415 Ca 0.00 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 1ign h LEU 415 Cb 0.43 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 1ign h LEU 415 CO 0.00 -0.53 0.00 -0.62 -0.62 0.00 0.00 178.44 176.67 1ign n GLU 416 N -5.48 0.00 -3.55 1.25 1.02 -1.26 -4.73 120.64 107.88 1ign n GLU 416 Ca -0.09 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 56.97 1ign n GLU 416 Cb 0.39 -0.21 -0.02 0.00 -0.02 0.00 0.00 31.44 31.59 1ign n GLU 416 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1ign s TYR 417 N 0.00 -0.37 0.41 -0.32 1.13 -1.26 -4.71 117.35 112.23 1ign s TYR 417 Ca 0.00 0.14 0.04 0.00 -1.41 0.00 0.00 57.07 55.84 1ign s TYR 417 Cb 0.00 0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 41.42 1ign s TYR 417 CO 0.00 -0.79 0.15 0.14 -2.51 0.00 0.00 175.55 172.54 1ign s VAL 418 N -3.48 0.50 -0.05 -3.49 -7.23 -0.33 -4.81 120.40 101.51 1ign s VAL 418 Ca 0.05 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.21 1ign s VAL 418 Cb -0.02 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 1ign s VAL 418 CO -0.07 0.00 0.03 -0.31 -0.31 0.00 0.00 175.10 174.44 1ign s TYR 419 N -3.21 3.20 0.38 2.82 2.02 -0.56 -0.68 117.35 121.31 1ign s TYR 419 Ca 0.24 0.19 -0.24 0.00 -0.37 0.00 0.00 57.07 56.89 1ign s TYR 419 Cb 0.02 -1.75 -0.09 0.00 -0.40 0.00 0.00 41.96 39.73 1ign s TYR 419 CO 0.16 0.51 1.01 -1.83 -1.57 0.00 0.00 175.55 173.82 1ign s GLU 420 N -1.28 4.30 0.25 -0.62 -1.05 0.29 -4.76 118.70 115.84 1ign s GLU 420 Ca 0.17 1.42 0.12 0.00 -0.15 0.00 0.00 54.97 56.53 1ign s GLU 420 Cb -0.12 -2.59 -0.05 0.00 -0.44 0.00 0.00 34.13 30.93 1ign s GLU 420 CO 0.07 0.00 -0.20 0.14 0.95 0.00 0.00 175.26 176.22 1ign s VAL 421 N -1.69 2.51 0.54 1.83 -7.23 -1.26 -1.65 120.40 113.45 1ign s VAL 421 Ca 0.56 -2.24 -0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1ign s VAL 421 Cb -0.20 -2.28 0.11 0.00 0.56 0.00 0.00 36.38 34.58 1ign s VAL 421 CO 0.25 -0.30 0.73 -0.90 -0.31 0.00 0.00 175.10 174.58 1ign n ASP 422 N -0.32 0.64 0.11 4.85 5.68 0.16 -4.82 116.55 122.84 1ign n ASP 422 Ca -0.08 -1.62 0.10 0.00 -0.50 0.00 0.00 54.79 52.69 1ign n ASP 422 Cb 0.58 -0.51 0.45 0.00 -1.14 0.00 0.00 41.12 40.51 1ign n ASP 422 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1ign n LYS 423 N -2.43 0.14 -0.35 0.11 2.85 -1.26 -1.86 118.16 115.36 1ign n LYS 423 Ca 0.11 0.44 0.07 0.00 -1.05 0.00 0.00 58.31 57.88 1ign n LYS 423 Cb 0.39 -1.81 0.23 0.00 -0.65 0.00 0.00 35.03 33.19 1ign n LYS 423 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1ign n PHE 424 N -2.09 0.87 -0.90 5.58 3.72 -1.26 -4.91 117.46 118.47 1ign n PHE 424 Ca 0.01 -0.38 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 1ign n PHE 424 Cb 0.17 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.61 1ign n PHE 424 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ign n GLY 425 N 1.06 0.74 3.90 1.37 0.00 -0.78 -5.02 105.19 106.47 1ign n GLY 425 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 1ign n GLY 425 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ign s LYS 426 N -0.24 3.62 0.51 1.61 1.02 -1.26 -4.79 119.74 120.21 1ign s LYS 426 Ca 0.00 0.10 -0.20 0.00 0.02 0.00 0.00 55.97 55.89 1ign s LYS 426 Cb 0.00 -2.53 -0.07 0.00 -0.52 0.00 0.00 37.83 34.71 1ign s LYS 426 CO 0.00 0.05 1.09 -0.51 -0.92 0.00 0.00 175.35 175.06 1ign s LEU 427 N -4.03 3.80 -0.18 3.17 1.43 -1.26 0.40 118.68 122.01 1ign s LEU 427 Ca 0.46 2.07 -0.22 0.00 -1.03 0.00 0.00 54.13 55.41 1ign s LEU 427 Cb -0.10 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.53 1ign s LEU 427 CO 0.35 -1.02 0.67 -0.69 0.23 0.00 0.00 176.35 175.89 1ign s VAL 428 N -1.85 5.00 0.04 -1.59 1.01 -0.66 -4.68 120.40 117.67 1ign s VAL 428 Ca 0.70 1.28 0.08 0.00 0.00 0.00 0.00 61.98 64.04 1ign s VAL 428 Cb -0.21 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.16 1ign s VAL 428 CO 0.24 0.11 -0.22 -0.13 0.00 0.00 0.00 175.10 175.10 1ign s ARG 429 N 1.84 1.46 0.00 2.72 0.52 -1.26 -3.91 118.95 120.32 1ign s ARG 429 Ca 0.31 -0.98 0.00 0.00 -0.52 0.00 0.00 55.73 54.55 1ign s ARG 429 Cb -0.16 -1.59 0.00 0.00 0.52 0.00 0.00 34.95 33.72 1ign s ARG 429 CO 0.11 0.41 0.00 -0.40 0.02 0.00 0.00 175.30 175.44 1ign n ASP 430 N 1.82 0.00 -0.25 0.23 5.68 -0.54 -4.89 116.55 118.61 1ign n ASP 430 Ca -0.17 -0.74 0.06 0.00 -0.50 0.00 0.00 54.79 53.44 1ign n ASP 430 Cb 0.53 0.00 0.18 0.00 -1.14 0.00 0.00 41.12 40.69 1ign n ASP 430 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1ign h ASP 431 N 0.00 0.04 0.04 -1.12 5.19 -2.02 -0.98 116.42 117.58 1ign h ASP 431 Ca 0.00 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 1ign h ASP 431 Cb 0.00 0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.69 1ign h ASP 431 CO 0.00 -0.02 -0.15 0.47 -3.12 0.00 0.00 179.24 176.42 1ign n ASP 432 N -5.14 1.85 0.00 6.45 8.00 -1.26 -4.95 116.55 121.50 1ign n ASP 432 Ca 0.14 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.16 1ign n ASP 432 Cb 0.45 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1ign n ASP 432 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ign n GLY 433 N 1.30 0.88 3.85 0.44 0.00 -0.37 -5.09 105.19 106.20 1ign n GLY 433 Ca 0.14 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ign n GLY 433 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1ign s ASN 434 N -2.10 6.68 0.49 1.61 0.01 -1.26 -4.72 114.94 115.64 1ign s ASN 434 Ca 0.00 1.38 0.02 0.00 -0.71 0.00 0.00 52.86 53.56 1ign s ASN 434 Cb 0.00 -2.42 0.02 0.00 0.41 0.00 0.00 41.25 39.26 1ign s ASN 434 CO 0.00 -0.40 0.70 -0.76 -1.51 0.00 0.00 177.10 175.13 1ign s LEU 435 N -3.61 3.46 -0.20 0.60 1.43 -1.26 -1.46 118.68 117.63 1ign s LEU 435 Ca 0.56 -0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1ign s LEU 435 Cb -0.10 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.25 1ign s LEU 435 CO 0.25 -0.94 -0.16 -0.63 0.23 0.00 0.00 176.35 175.10 1ign s ILE 436 N -2.62 2.33 0.55 -0.59 1.01 -1.25 -4.96 121.20 115.67 1ign s ILE 436 Ca 0.54 -0.96 -0.19 0.00 0.00 0.00 0.00 60.65 60.04 1ign s ILE 436 Cb -0.10 -2.05 -0.06 0.00 0.01 0.00 0.00 42.46 40.26 1ign s ILE 436 CO 0.37 0.43 1.10 -0.54 0.00 0.00 0.00 174.94 176.30 1ign s LYS 437 N 1.30 3.38 -0.23 2.79 1.02 -1.26 -0.54 119.74 126.19 1ign s LYS 437 Ca 0.03 1.50 -0.26 0.00 0.02 0.00 0.00 55.97 57.26 1ign s LYS 437 Cb -0.14 -2.02 0.07 0.00 -0.52 0.00 0.00 37.83 35.22 1ign s LYS 437 CO -0.10 -0.81 0.74 -0.08 -0.92 0.00 0.00 175.35 174.18 1ign s THR 438 N -1.93 0.00 -2.21 2.17 -1.32 0.14 -4.75 115.64 107.73 1ign s THR 438 Ca 0.70 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.40 1ign s THR 438 Cb -0.21 -1.00 0.53 0.00 -1.51 0.00 0.00 72.50 70.31 1ign s THR 438 CO 0.28 0.00 1.47 0.29 -2.21 0.00 0.00 174.62 174.45 1ign n LYS 439 N 2.28 2.53 -3.57 7.08 5.02 -1.26 -1.19 118.16 129.05 1ign n LYS 439 Ca -0.15 -2.35 -0.41 0.00 -2.02 0.00 0.00 58.31 53.38 1ign n LYS 439 Cb 0.55 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.94 1ign n LYS 439 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ign s VAL 440 N -1.28 4.39 0.26 -0.18 1.01 -1.26 -5.01 120.40 118.33 1ign s VAL 440 Ca 0.43 -1.34 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1ign s VAL 440 Cb 0.23 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.84 1ign s VAL 440 CO 0.31 -0.52 1.41 -0.76 0.00 0.00 0.00 175.10 175.55 1ign s LEU 441 N 1.46 4.39 1.00 3.92 1.43 -1.26 -4.99 118.68 124.63 1ign s LEU 441 Ca 0.03 2.67 -0.15 0.00 -1.03 0.00 0.00 54.13 55.65 1ign s LEU 441 Cb -0.23 -3.63 0.19 0.00 0.03 0.00 0.00 46.19 42.55 1ign s LEU 441 CO 0.03 -0.67 1.19 -2.16 0.23 0.00 0.00 176.35 174.97 1ign s PRO 442 N -0.65 0.43 0.36 1.29 0.04 -1.26 -4.97 135.00 130.25 1ign s PRO 442 Ca 0.57 -0.03 -0.27 0.00 0.04 0.00 0.00 61.00 61.31 1ign s PRO 442 Cb -0.41 -1.79 -0.09 0.00 0.04 0.00 0.00 34.50 32.25 1ign s PRO 442 CO 0.45 -2.62 1.20 -1.25 0.04 0.00 0.00 177.00 174.82 1ign s PRO 443 N -5.52 4.22 0.00 0.56 0.04 -1.26 -4.88 135.00 128.16 1ign s PRO 443 Ca 0.69 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.67 1ign s PRO 443 Cb -0.10 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1ign s PRO 443 CO 0.54 -0.21 0.00 -1.13 0.04 0.00 0.00 177.00 176.24 1ign n SER 444 N 0.44 -0.22 0.04 6.66 3.41 -1.26 -4.67 113.62 118.02 1ign n SER 444 Ca 0.02 -0.77 -0.08 0.00 -0.26 0.00 0.00 58.87 57.78 1ign n SER 444 Cb 0.45 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.46 1ign n SER 444 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1ign h ILE 445 N -1.00 1.36 -4.21 -1.33 2.04 -1.96 -3.44 117.51 108.97 1ign h ILE 445 Ca 0.00 -1.98 -0.62 0.00 1.00 0.00 0.00 64.86 63.26 1ign h ILE 445 Cb 0.00 1.97 -0.30 0.00 -0.74 0.00 0.00 36.82 37.75 1ign h ILE 445 CO 0.00 0.60 -0.86 -0.54 0.00 0.00 0.00 178.15 177.35 1ign s LYS 446 N -3.78 1.95 -0.11 2.37 1.02 -1.26 -5.13 119.74 114.80 1ign s LYS 446 Ca -0.06 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.16 1ign s LYS 446 Cb 0.11 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 1ign s LYS 446 CO 0.83 0.39 -0.06 0.50 -0.92 0.00 0.00 175.35 176.09 1ign s ARG 447 N -0.28 3.25 0.56 1.68 3.52 -1.26 -5.12 118.95 121.30 1ign s ARG 447 Ca 0.02 -0.54 -0.15 0.00 -0.13 0.00 0.00 55.73 54.93 1ign s ARG 447 Cb -0.10 -2.75 -0.06 0.00 -1.56 0.00 0.00 34.95 30.48 1ign s ARG 447 CO 0.01 0.43 1.02 0.15 -0.81 0.00 0.00 175.30 176.10 1ign s LYS 448 N -0.16 3.65 0.10 5.12 1.02 -1.26 -5.05 119.74 123.16 1ign s LYS 448 Ca 0.02 1.00 -0.22 0.00 0.02 0.00 0.00 55.97 56.80 1ign s LYS 448 Cb -0.13 -2.09 -0.07 0.00 -0.52 0.00 0.00 37.83 35.02 1ign s LYS 448 CO 0.03 -0.52 0.65 -0.06 -0.92 0.00 0.00 175.35 174.52 1ign s PHE 449 N -2.67 3.84 0.30 3.18 0.08 -1.26 -5.08 117.98 116.37 1ign s PHE 449 Ca 0.60 1.41 0.07 0.00 0.12 0.00 0.00 56.93 59.12 1ign s PHE 449 Cb -0.12 -2.61 -0.03 0.00 -0.57 0.00 0.00 43.02 39.69 1ign s PHE 449 CO 0.37 0.54 0.32 -1.54 -0.10 0.00 0.00 175.22 174.82 1ign s SER 450 N -1.05 5.67 0.30 1.36 1.04 -1.26 -4.82 113.70 114.94 1ign s SER 450 Ca 0.32 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.46 1ign s SER 450 Cb -0.21 -1.28 0.46 0.00 0.10 0.00 0.00 66.02 65.09 1ign s SER 450 CO 0.22 -0.25 1.96 0.00 0.98 0.00 0.00 173.24 176.14 1ign h ALA 451 N 1.21 1.43 -0.44 5.32 0.00 -1.94 -0.52 119.26 124.32 1ign h ALA 451 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ign h ALA 451 Cb 1.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1ign h ALA 451 CO 0.58 0.51 0.28 -0.44 0.00 0.00 0.00 179.25 180.18 1ign h ASP 452 N 1.11 0.51 -0.11 0.00 5.19 -1.96 -1.50 116.42 119.66 1ign h ASP 452 Ca 0.32 -0.03 -0.00 0.00 -0.62 0.00 0.00 57.03 56.70 1ign h ASP 452 Cb -0.06 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.32 1ign h ASP 452 CO -0.08 0.38 0.06 -0.33 -3.12 0.00 0.00 179.24 176.15 1ign h GLU 453 N 0.59 0.15 -0.67 3.56 5.08 -1.70 0.21 114.58 121.79 1ign h GLU 453 Ca 0.16 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.58 1ign h GLU 453 Cb -0.05 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.11 1ign h GLU 453 CO -0.03 0.18 0.35 -0.44 -1.00 0.00 0.00 179.01 178.06 1ign h ASP 454 N 0.08 0.48 -0.08 1.42 3.32 -0.88 -0.26 116.42 120.50 1ign h ASP 454 Ca 0.04 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1ign h ASP 454 Cb 0.07 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1ign h ASP 454 CO -0.01 0.29 0.01 0.22 -1.72 0.00 0.00 179.24 178.04 1ign h TYR 455 N 0.62 0.14 -0.99 4.55 3.20 -1.11 -0.94 116.97 122.44 1ign h TYR 455 Ca 0.32 -0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.29 1ign h TYR 455 Cb 0.27 -0.04 -0.09 0.00 1.54 0.00 0.00 36.73 38.42 1ign h TYR 455 CO -0.10 0.36 0.62 1.15 -1.64 0.00 0.00 178.16 178.56 1ign h THR 456 N -0.12 0.89 0.04 1.81 2.02 -0.50 -0.08 112.91 116.97 1ign h THR 456 Ca 0.02 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.88 1ign h THR 456 Cb 0.30 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1ign h THR 456 CO 0.00 0.17 -0.02 0.25 0.37 0.00 0.00 175.52 176.29 1ign h LEU 457 N 0.94 -0.05 -0.56 2.58 5.85 -0.91 -2.47 115.31 120.69 1ign h LEU 457 Ca 0.50 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1ign h LEU 457 Cb 0.55 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 1ign h LEU 457 CO -0.27 0.48 0.27 0.00 -0.34 0.00 0.00 178.44 178.58 1ign h ALA 458 N 0.31 0.73 -0.38 1.25 0.00 -0.87 -1.15 119.26 119.15 1ign h ALA 458 Ca -0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1ign h ALA 458 Cb 0.54 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ign h ALA 458 CO 0.01 -0.09 0.15 0.82 0.00 0.00 0.00 179.25 180.14 1ign h ILE 459 N 0.51 1.19 -0.53 0.00 1.08 -1.10 -0.15 117.51 118.51 1ign h ILE 459 Ca 0.26 -0.59 0.04 0.00 -0.39 0.00 0.00 64.86 64.18 1ign h ILE 459 Cb 0.21 0.88 -0.04 0.00 -3.07 0.00 0.00 36.82 34.79 1ign h ILE 459 CO -0.20 0.21 0.29 0.00 -0.69 0.00 0.00 178.15 177.76 1ign h ALA 460 N 0.99 0.69 -0.51 1.87 0.00 -1.04 0.58 119.26 121.84 1ign h ALA 460 Ca 0.13 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1ign h ALA 460 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1ign h ALA 460 CO -0.01 -0.05 0.11 0.28 0.00 0.00 0.00 179.25 179.59 1ign h VAL 461 N 0.55 1.24 -0.25 0.00 2.07 -1.05 -1.18 116.25 117.64 1ign h VAL 461 Ca 0.23 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.90 1ign h VAL 461 Cb 0.11 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1ign h VAL 461 CO -0.15 0.32 0.10 0.50 0.02 0.00 0.00 177.57 178.36 1ign h LYS 462 N 0.70 0.22 -0.86 1.57 3.64 -0.28 -0.56 116.57 121.01 1ign h LYS 462 Ca 0.16 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1ign h LYS 462 Cb 0.35 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1ign h LYS 462 CO 0.00 0.14 0.56 0.87 -2.27 0.00 0.00 179.45 178.76 1ign h LYS 463 N 0.22 1.10 0.33 1.90 1.57 -0.79 0.99 116.57 121.90 1ign h LYS 463 Ca 0.11 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1ign h LYS 463 Cb 0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1ign h LYS 463 CO -0.09 0.73 -0.26 0.37 -0.57 0.00 0.00 179.45 179.63 1ign h GLN 464 N 1.13 -0.57 -0.74 3.15 5.75 -0.67 -0.72 115.11 122.45 1ign h GLN 464 Ca 0.32 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.87 1ign h GLN 464 Cb -0.09 0.13 -0.04 0.00 1.07 0.00 0.00 27.48 28.55 1ign h GLN 464 CO -0.08 -0.38 0.49 0.74 -2.65 0.00 0.00 178.83 176.95 1ign h PHE 465 N -0.59 0.93 -0.18 3.99 0.04 -0.70 -0.97 116.94 119.47 1ign h PHE 465 Ca -0.02 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1ign h PHE 465 Cb 0.51 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1ign h PHE 465 CO -0.13 0.58 0.09 -0.92 -0.60 0.00 0.00 178.31 177.34 1ign h TYR 466 N 1.00 0.24 -0.78 -0.55 5.03 -0.43 0.96 116.97 122.45 1ign h TYR 466 Ca 0.27 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.56 1ign h TYR 466 Cb -0.11 -0.08 -0.04 0.00 1.55 0.00 0.00 36.73 38.05 1ign h TYR 466 CO -0.00 0.24 0.45 0.00 -1.32 0.00 0.00 178.16 177.52 1ign h ARG 467 N 0.18 1.08 0.45 1.82 3.08 -0.72 0.98 114.38 121.25 1ign h ARG 467 Ca 0.06 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1ign h ARG 467 Cb 0.08 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 1ign h ARG 467 CO -0.01 0.78 -0.26 -0.44 -1.07 0.00 0.00 179.97 178.97 1ign h ASP 468 N 1.08 -0.64 -0.05 7.04 3.32 -0.86 0.64 116.42 126.94 1ign h ASP 468 Ca 0.28 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 57.16 1ign h ASP 468 Cb 0.00 0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1ign h ASP 468 CO -0.05 -0.42 -0.69 -0.07 -1.72 0.00 0.00 179.24 176.29 1ign h LEU 469 N -0.67 0.80 -0.60 1.55 3.38 -0.69 -3.38 115.31 115.70 1ign h LEU 469 Ca -0.05 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1ign h LEU 469 Cb 0.54 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1ign h LEU 469 CO 0.07 1.26 -0.22 0.49 0.09 0.00 0.00 178.44 180.13 1ign n PHE 470 N -3.93 0.00 -4.11 1.13 3.72 0.33 -5.00 117.46 109.60 1ign n PHE 470 Ca -0.05 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.01 1ign n PHE 470 Cb 0.70 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.23 1ign n PHE 470 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1ign n GLN 471 N -0.44 -4.01 -4.19 -1.08 1.13 0.22 -4.91 117.38 104.10 1ign n GLN 471 Ca 0.03 0.45 -0.16 0.00 -1.94 0.00 0.00 57.00 55.39 1ign n GLN 471 Cb 0.18 -5.22 -0.14 0.00 0.11 0.00 0.00 30.24 25.16 1ign n GLN 471 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1ign s ILE 472 N -3.31 0.48 -0.01 5.09 1.01 -1.26 -0.58 121.20 122.61 1ign s ILE 472 Ca 0.69 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.71 1ign s ILE 472 Cb -0.37 -0.42 -0.05 0.00 0.01 0.00 0.00 42.46 41.64 1ign s ILE 472 CO 0.89 0.08 1.31 -0.62 0.00 0.00 0.00 174.94 176.61 1ign s ASP 473 N -0.28 6.94 0.43 3.58 2.15 -0.34 -4.34 116.67 124.82 1ign s ASP 473 Ca 0.01 2.00 0.15 0.00 0.43 0.00 0.00 52.55 55.14 1ign s ASP 473 Cb -0.03 -2.56 0.96 0.00 -0.30 0.00 0.00 42.92 40.99 1ign s ASP 473 CO -0.00 -0.65 1.95 -0.65 -0.17 0.00 0.00 175.17 175.66 1ign h PRO 474 N 7.58 0.00 -0.07 4.34 0.11 -1.92 -0.94 132.00 141.09 1ign h PRO 474 Ca -0.37 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.59 1ign h PRO 474 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1ign h PRO 474 CO 0.89 0.23 -0.55 -0.44 -0.21 0.00 0.00 178.00 177.92 1ign h ASP 475 N 0.00 0.60 0.00 -2.05 3.32 -1.99 -3.43 116.42 112.88 1ign h ASP 475 Ca -0.00 -0.68 -0.08 0.00 0.02 0.00 0.00 57.03 56.29 1ign h ASP 475 Cb 0.42 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1ign h ASP 475 CO 0.03 1.19 -1.27 0.35 -1.72 0.00 0.00 179.24 177.82 1ign n THR 476 N -4.22 0.27 0.00 0.35 -2.24 -1.21 -5.03 114.28 102.20 1ign n THR 476 Ca -0.09 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 1ign n THR 476 Cb 0.63 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1ign n THR 476 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ign n GLY 477 N 2.76 1.08 3.68 3.38 0.00 -0.36 -5.02 105.19 110.70 1ign n GLY 477 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 1ign n GLY 477 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ign n ARG 478 N 0.00 1.05 -2.87 1.61 0.63 -1.26 -4.59 116.66 111.23 1ign n ARG 478 Ca 0.00 0.41 -0.41 0.00 -0.92 0.00 0.00 57.85 56.93 1ign n ARG 478 Cb 0.00 -2.38 -0.04 0.00 0.45 0.00 0.00 32.46 30.49 1ign n ARG 478 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1ign s SER 479 N -1.30 7.08 0.00 6.15 0.15 -1.26 -1.20 113.70 123.32 1ign s SER 479 Ca 0.79 1.32 0.08 0.00 0.70 0.00 0.00 55.95 58.85 1ign s SER 479 Cb -0.40 -2.48 0.25 0.00 -1.71 0.00 0.00 66.02 61.68 1ign s SER 479 CO 0.43 -0.31 1.20 0.18 1.20 0.00 0.00 173.24 175.95 1ign n LEU 480 N 4.57 1.41 -0.01 3.45 4.77 0.25 -4.94 117.00 126.51 1ign n LEU 480 Ca 0.04 -0.71 0.15 0.00 -0.03 0.00 0.00 56.01 55.46 1ign n LEU 480 Cb 0.50 -0.18 0.89 0.00 -2.33 0.00 0.00 43.42 42.30 1ign n LEU 480 CO 0.49 0.35 1.07 -0.38 -1.33 0.00 0.00 177.39 177.59 1ign n ILE 481 N 0.27 0.00 0.00 -0.08 2.08 -1.26 -4.98 119.36 115.39 1ign n ILE 481 Ca 0.09 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.40 1ign n ILE 481 Cb 0.22 -0.46 0.00 0.00 -0.75 0.00 0.00 39.64 38.66 1ign n ILE 481 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1ign n ARG 513 N -0.95 0.00 -3.08 0.38 1.85 -1.26 -5.24 116.66 108.35 1ign n ARG 513 Ca 0.22 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.98 1ign n ARG 513 Cb 0.11 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.48 1ign n ARG 513 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1ign n THR 514 N 3.21 0.00 -3.83 8.89 -1.04 -1.26 -5.04 114.28 115.20 1ign n THR 514 Ca 0.00 -1.19 -0.00 0.00 -2.04 0.00 0.00 64.05 60.82 1ign n THR 514 Cb 0.00 0.63 0.01 0.00 -1.82 0.00 0.00 70.33 69.15 1ign n THR 514 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ign n GLN 515 N -0.33 0.25 -1.88 -2.82 10.64 -1.26 -5.05 117.38 116.93 1ign n GLN 515 Ca 0.03 -0.68 -0.01 0.00 -1.83 0.00 0.00 57.00 54.51 1ign n GLN 515 Cb 0.32 0.99 0.04 0.00 -0.86 0.00 0.00 30.24 30.73 1ign n GLN 515 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1ign n SER 516 N -0.86 -0.47 -4.31 2.61 7.64 -1.26 -4.85 113.62 112.12 1ign n SER 516 Ca 0.01 -1.39 -0.27 0.00 1.01 0.00 0.00 58.87 58.23 1ign n SER 516 Cb 0.35 0.22 -0.14 0.00 -1.01 0.00 0.00 64.21 63.64 1ign n SER 516 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ign s ARG 517 N 0.04 1.41 -0.10 1.43 1.70 -1.26 -5.08 118.95 117.09 1ign s ARG 517 Ca 0.03 -1.13 -0.20 0.00 -0.47 0.00 0.00 55.73 53.96 1ign s ARG 517 Cb 0.14 -1.67 -0.28 0.00 -0.57 0.00 0.00 34.95 32.58 1ign s ARG 517 CO -0.04 0.41 0.65 0.00 -1.08 0.00 0.00 175.30 175.24 1ign h ARG 518 N 4.41 0.21 0.00 3.89 3.08 -2.00 -3.50 114.38 120.46 1ign h ARG 518 Ca -0.46 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.23 1ign h ARG 518 Cb 1.16 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1ign h ARG 518 CO 0.41 1.17 0.00 0.41 -1.07 0.00 0.00 179.97 180.90 1ign n GLY 519 N 1.67 3.65 3.79 0.04 0.00 -1.26 -4.76 105.19 108.33 1ign n GLY 519 Ca -0.20 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 1ign n GLY 519 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ign s PRO 520 N 4.43 2.89 -0.04 1.61 0.04 -1.26 -5.12 135.00 137.55 1ign s PRO 520 Ca 0.00 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.02 1ign s PRO 520 Cb 0.00 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.51 1ign s PRO 520 CO 0.00 -1.15 0.55 0.42 0.04 0.00 0.00 177.00 176.86 1ign s ILE 521 N -2.66 5.01 0.65 0.56 -1.09 -1.26 -5.01 121.20 117.39 1ign s ILE 521 Ca 0.62 1.13 -0.17 0.00 -2.23 0.00 0.00 60.65 60.00 1ign s ILE 521 Cb -0.17 -3.88 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 1ign s ILE 521 CO 0.46 0.40 1.01 0.00 -1.23 0.00 0.00 174.94 175.59 1ign n ALA 522 N 2.95 0.20 -1.67 9.38 0.00 -1.26 -4.89 120.51 125.23 1ign n ALA 522 Ca -0.07 -0.06 -0.46 0.00 0.00 0.00 0.00 53.44 52.85 1ign n ALA 522 Cb 0.51 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.78 1ign n ALA 522 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1ign n ARG 523 N -1.42 2.21 -2.12 0.00 0.63 -1.26 -2.06 116.66 112.64 1ign n ARG 523 Ca 0.14 0.80 -0.19 0.00 -0.92 0.00 0.00 57.85 57.69 1ign n ARG 523 Cb 0.48 -2.59 -0.03 0.00 0.45 0.00 0.00 32.46 30.77 1ign n ARG 523 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ign n GLU 524 N 4.21 -1.69 -0.05 -0.14 1.02 -1.26 -4.89 120.64 117.84 1ign n GLU 524 Ca 0.18 0.97 -0.11 0.00 -0.02 0.00 0.00 57.16 58.18 1ign n GLU 524 Cb 0.30 -5.52 -0.05 0.00 -0.02 0.00 0.00 31.44 26.15 1ign n GLU 524 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1ign h PHE 525 N 0.00 0.26 -0.01 -0.32 3.04 -1.77 -0.84 116.94 117.30 1ign h PHE 525 Ca -0.42 -0.02 -0.17 0.00 3.98 0.00 0.00 57.97 61.34 1ign h PHE 525 Cb 1.29 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.70 1ign h PHE 525 CO 0.57 0.32 -0.77 0.74 -2.02 0.00 0.00 178.31 177.16 1ign h PHE 526 N 0.13 0.13 -0.29 0.41 0.04 -1.90 0.92 116.94 116.38 1ign h PHE 526 Ca 0.06 -0.07 -0.03 0.00 2.80 0.00 0.00 57.97 60.73 1ign h PHE 526 Cb 0.17 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1ign h PHE 526 CO -0.01 0.82 0.05 -0.22 -0.60 0.00 0.00 178.31 178.35 1ign h LYS 527 N 0.06 0.47 0.00 1.51 3.64 -1.86 -0.27 116.57 120.11 1ign h LYS 527 Ca -0.02 -0.12 -0.15 0.00 -1.27 0.00 0.00 60.65 59.09 1ign h LYS 527 Cb 1.35 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 1ign h LYS 527 CO 0.11 0.57 -0.72 0.45 -2.27 0.00 0.00 179.45 177.60 1ign h HIS 528 N 0.29 0.00 -0.33 1.91 3.86 -1.11 -2.44 115.15 117.33 1ign h HIS 528 Ca 0.09 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1ign h HIS 528 Cb 0.33 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1ign h HIS 528 CO 0.02 0.72 0.13 0.35 0.86 0.00 0.00 177.93 180.01 1ign h PHE 529 N 0.00 0.51 -0.82 2.45 3.57 -0.57 -2.19 116.94 119.88 1ign h PHE 529 Ca -0.01 -0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.49 1ign h PHE 529 Cb 1.30 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.84 1ign h PHE 529 CO 0.00 0.48 0.53 0.00 -2.23 0.00 0.00 178.31 177.08 1ign h ALA 530 N 0.97 1.09 -0.33 2.41 0.00 -0.95 0.31 119.26 122.75 1ign h ALA 530 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1ign h ALA 530 Cb 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1ign h ALA 530 CO -0.01 0.34 0.18 0.93 0.00 0.00 0.00 179.25 180.69 1ign h GLU 531 N 1.02 0.47 0.00 0.00 5.08 -1.24 -1.32 114.58 118.59 1ign h GLU 531 Ca 0.33 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1ign h GLU 531 Cb 0.02 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 1ign h GLU 531 CO -0.12 0.40 -0.19 1.49 -1.00 0.00 0.00 179.01 179.59 1ign h GLU 532 N 0.41 0.00 -2.19 2.33 4.81 -1.05 -3.36 114.58 115.53 1ign h GLU 532 Ca 0.12 0.00 -0.58 0.00 -0.13 0.00 0.00 59.36 58.77 1ign h GLU 532 Cb 0.07 0.00 -0.39 0.00 0.63 0.00 0.00 28.75 29.06 1ign h GLU 532 CO -0.02 0.19 -0.99 0.72 -0.73 0.00 0.00 179.01 178.19 1ign n HIS 533 N -3.26 0.03 0.77 0.92 8.25 0.07 -5.02 115.22 116.98 1ign n HIS 533 Ca 0.01 -3.58 0.00 0.00 -0.26 0.00 0.00 57.72 53.90 1ign n HIS 533 Cb 0.48 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.40 1ign n HIS 533 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ign n ALA 534 N 1.85 2.17 0.30 -1.41 0.00 -0.51 -3.62 120.51 119.29 1ign n ALA 534 Ca 0.25 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.83 1ign n ALA 534 Cb 0.49 -1.00 0.42 0.00 0.00 0.00 0.00 19.45 19.36 1ign n ALA 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ign h ALA 535 N 1.81 1.00 -2.73 0.00 0.00 -1.96 -3.44 119.26 113.94 1ign h ALA 535 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 1ign h ALA 535 Cb 0.46 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.06 1ign h ALA 535 CO 0.00 0.00 -0.70 -1.01 0.00 0.00 0.00 179.25 177.54 1ign s HIS 536 N -3.39 0.49 0.82 0.00 3.76 -1.24 -4.89 115.29 110.84 1ign s HIS 536 Ca 0.05 -0.71 -0.12 0.00 -0.15 0.00 0.00 55.06 54.13 1ign s HIS 536 Cb 0.08 -0.32 0.10 0.00 1.11 0.00 0.00 32.58 33.54 1ign s HIS 536 CO 0.59 -0.21 1.17 0.95 -0.85 0.00 0.00 174.74 176.39 1ign s THR 537 N -2.35 2.04 0.25 1.30 -4.23 -1.26 -4.77 115.64 106.63 1ign s THR 537 Ca -0.05 -0.05 -0.04 0.00 -1.18 0.00 0.00 61.69 60.36 1ign s THR 537 Cb -0.03 -2.99 0.24 0.00 1.34 0.00 0.00 72.50 71.05 1ign s THR 537 CO -0.04 0.00 1.88 -0.08 -0.54 0.00 0.00 174.62 175.84 1ign h GLU 538 N -1.07 1.08 -0.50 3.99 4.81 -1.92 -1.74 114.58 119.23 1ign h GLU 538 Ca -0.45 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 1ign h GLU 538 Cb 1.31 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.43 1ign h GLU 538 CO 0.61 0.72 0.18 -0.91 -0.73 0.00 0.00 179.01 178.87 1ign h ASN 539 N 1.12 0.71 -0.32 1.04 2.35 -1.93 -1.65 115.58 116.90 1ign h ASN 539 Ca 0.39 -0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 1ign h ASN 539 Cb 0.11 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1ign h ASN 539 CO -0.15 0.70 0.14 0.00 -1.65 0.00 0.00 177.43 176.46 1ign h ALA 540 N 1.03 0.41 -0.60 -0.83 0.00 -1.79 -1.68 119.26 115.80 1ign h ALA 540 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1ign h ALA 540 Cb 0.23 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1ign h ALA 540 CO -0.01 -0.00 0.26 -1.49 0.00 0.00 0.00 179.25 178.00 1ign h TRP 541 N 0.37 0.89 -0.47 0.00 4.06 -1.27 -0.56 115.95 118.97 1ign h TRP 541 Ca 0.11 -0.06 -0.02 0.00 2.06 0.00 0.00 58.89 60.98 1ign h TRP 541 Cb 0.16 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 1ign h TRP 541 CO -0.01 0.70 0.23 -0.09 -3.56 0.00 0.00 178.44 175.72 1ign h ARG 542 N 0.82 0.68 -0.30 0.49 2.43 -1.18 -1.29 114.38 116.03 1ign h ARG 542 Ca 0.20 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 1ign h ARG 542 Cb 0.17 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1ign h ARG 542 CO -0.02 0.57 -0.32 0.22 -1.51 0.00 0.00 179.97 178.91 1ign h ASP 543 N 0.62 0.67 -0.62 -3.80 3.58 -1.12 -0.89 116.42 114.88 1ign h ASP 543 Ca 0.16 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.35 1ign h ASP 543 Cb 0.11 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 40.94 1ign h ASP 543 CO -0.02 0.94 0.40 -0.09 -2.88 0.00 0.00 179.24 177.59 1ign h ARG 544 N 0.55 0.82 -0.11 0.28 9.65 -0.88 0.14 114.38 124.83 1ign h ARG 544 Ca 0.06 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.81 1ign h ARG 544 Cb 0.81 -0.18 0.00 0.00 -1.39 0.00 0.00 29.97 29.21 1ign h ARG 544 CO 0.07 0.55 -0.25 0.35 2.80 0.00 0.00 179.97 183.49 1ign h PHE 545 N 0.84 0.47 0.13 2.20 3.57 -0.83 -1.62 116.94 121.69 1ign h PHE 545 Ca 0.23 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1ign h PHE 545 Cb -0.08 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.57 1ign h PHE 545 CO 0.00 0.87 -0.06 0.00 -2.23 0.00 0.00 178.31 176.89 1ign h ARG 546 N -0.06 -0.16 0.00 1.11 3.08 -0.68 0.13 114.38 117.81 1ign h ARG 546 Ca 0.00 0.01 -0.22 0.00 0.07 0.00 0.00 59.98 59.84 1ign h ARG 546 Cb 0.85 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.90 1ign h ARG 546 CO 0.06 0.19 -1.10 0.87 -1.07 0.00 0.00 179.97 178.91 1ign h LYS 547 N -0.53 0.00 0.00 0.04 1.79 -0.88 -3.37 116.57 113.62 1ign h LYS 547 Ca -0.02 -0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.40 1ign h LYS 547 Cb 0.42 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1ign h LYS 547 CO 0.03 0.93 -0.76 1.19 -1.08 0.00 0.00 179.45 179.76 1ign n PHE 548 N -3.31 0.00 0.24 -1.35 3.01 -0.90 -4.35 117.46 110.79 1ign n PHE 548 Ca -0.02 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.28 1ign n PHE 548 Cb 0.96 -0.28 -0.08 0.00 -0.01 0.00 0.00 39.48 40.07 1ign n PHE 548 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1ign h LEU 549 N -0.45 -0.85 -2.00 4.37 3.38 -1.18 0.14 115.31 118.72 1ign h LEU 549 Ca -0.08 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1ign h LEU 549 Cb 0.65 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.68 1ign h LEU 549 CO -0.05 -0.47 -0.04 -0.07 0.09 0.00 0.00 178.44 177.90 1ign h LEU 550 N -0.71 0.00 -0.00 1.67 3.38 -0.89 0.30 115.31 119.06 1ign h LEU 550 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ign h LEU 550 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1ign h LEU 550 CO -0.02 0.04 -0.01 0.00 0.09 0.00 0.00 178.44 178.53 1ign h ALA 551 N 1.96 0.01 0.01 1.53 0.00 -1.58 -3.32 119.26 117.87 1ign h ALA 551 Ca -0.00 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.39 1ign h ALA 551 Cb 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ign h ALA 551 CO 0.01 -0.18 -0.92 -0.92 0.00 0.00 0.00 179.25 177.23 1ign h TYR 552 N -0.59 0.40 0.00 0.00 5.03 -0.58 -3.50 116.97 117.74 1ign h TYR 552 Ca -0.00 -0.23 0.00 0.00 2.58 0.00 0.00 58.73 61.08 1ign h TYR 552 Cb 0.61 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.85 1ign h TYR 552 CO 0.14 1.05 0.00 0.41 -1.32 0.00 0.00 178.16 178.44 1ign n GLY 553 N 0.94 2.10 0.14 1.82 0.00 0.10 -4.64 105.19 105.65 1ign n GLY 553 Ca -0.05 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.58 1ign n GLY 553 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1ign h ILE 554 N 0.00 0.75 -0.49 -0.61 2.04 -1.88 -0.79 117.51 116.54 1ign h ILE 554 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1ign h ILE 554 Cb 0.00 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1ign h ILE 554 CO 0.00 0.00 0.17 0.44 0.00 0.00 0.00 178.15 178.76 1ign h ASP 555 N -0.12 0.70 -0.29 1.72 3.32 -1.92 -1.69 116.42 118.14 1ign h ASP 555 Ca 0.06 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 56.95 1ign h ASP 555 Cb 0.21 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1ign h ASP 555 CO -0.15 0.70 0.12 0.44 -1.72 0.00 0.00 179.24 178.63 1ign h ASP 556 N 0.65 0.16 -0.51 6.45 5.19 -1.78 0.13 116.42 126.72 1ign h ASP 556 Ca 0.16 0.02 -0.06 0.00 -0.62 0.00 0.00 57.03 56.53 1ign h ASP 556 Cb 0.24 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1ign h ASP 556 CO -0.01 0.13 0.09 0.22 -3.12 0.00 0.00 179.24 176.55 1ign h TYR 557 N 0.26 0.94 -0.42 4.55 3.20 -0.94 -0.96 116.97 123.60 1ign h TYR 557 Ca 0.12 -0.11 -0.05 0.00 3.14 0.00 0.00 58.73 61.83 1ign h TYR 557 Cb 0.07 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1ign h TYR 557 CO -0.11 0.81 0.07 0.82 -1.64 0.00 0.00 178.16 178.11 1ign h ILE 558 N 0.85 1.24 -0.33 1.81 2.04 -0.73 -0.08 117.51 122.30 1ign h ILE 558 Ca 0.18 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1ign h ILE 558 Cb 0.38 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1ign h ILE 558 CO 0.01 0.30 0.16 0.77 0.00 0.00 0.00 178.15 179.39 1ign h SER 559 N 0.54 0.44 0.50 1.72 4.64 -0.81 -1.93 113.55 118.65 1ign h SER 559 Ca 0.13 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1ign h SER 559 Cb 0.37 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 1ign h SER 559 CO 0.01 0.44 -0.39 0.22 -0.87 0.00 0.00 176.83 176.24 1ign h TYR 560 N 0.40 -1.06 0.02 4.77 3.20 -1.02 0.56 116.97 123.84 1ign h TYR 560 Ca 0.11 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.01 1ign h TYR 560 Cb 0.12 0.40 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1ign h TYR 560 CO -0.02 -0.57 -0.20 -0.92 -1.64 0.00 0.00 178.16 174.82 1ign h TYR 561 N -0.88 -0.51 -0.34 -3.82 5.03 -1.02 -2.65 116.97 112.78 1ign h TYR 561 Ca -0.05 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.27 1ign h TYR 561 Cb 0.75 0.23 -0.02 0.00 1.55 0.00 0.00 36.73 39.24 1ign h TYR 561 CO -0.17 -0.28 0.19 0.93 -1.32 0.00 0.00 178.16 177.52 1ign h GLU 562 N -0.32 0.46 -0.30 1.82 5.08 -1.31 -2.94 114.58 117.07 1ign h GLU 562 Ca 0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ign h GLU 562 Cb 0.39 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1ign h GLU 562 CO -0.17 0.33 0.00 0.00 -1.00 0.00 0.00 179.01 178.17 1ign n ALA 563 N -2.48 1.64 -2.88 3.43 0.00 0.18 -5.09 120.51 115.31 1ign n ALA 563 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1ign n ALA 563 Cb 0.09 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1ign n ALA 563 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ign n GLU 564 N 0.14 0.00 0.02 0.00 -0.58 -1.11 -5.04 120.64 114.06 1ign n GLU 564 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1ign n GLU 564 Cb 0.08 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.95 1ign n GLU 564 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1ign n GLU 572 N 0.00 0.00 -1.60 3.49 -0.58 -1.26 -5.11 120.64 115.58 1ign n GLU 572 Ca 0.00 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.41 1ign n GLU 572 Cb 0.00 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 30.94 1ign n GLU 572 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1ign s PRO 573 N -2.00 2.50 0.55 3.49 0.04 -1.26 -4.79 135.00 133.53 1ign s PRO 573 Ca 0.00 1.53 -0.22 0.00 0.04 0.00 0.00 61.00 62.36 1ign s PRO 573 Cb 0.00 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 1ign s PRO 573 CO 0.00 -1.51 1.36 -1.64 0.04 0.00 0.00 177.00 175.25 1ign s MET 574 N -4.04 3.10 0.11 4.56 -1.94 -1.26 -4.99 119.30 114.84 1ign s MET 574 Ca 0.70 2.24 -0.20 0.00 -1.71 0.00 0.00 55.69 56.72 1ign s MET 574 Cb -0.24 -2.24 0.05 0.00 2.01 0.00 0.00 34.83 34.42 1ign s MET 574 CO 0.43 -1.22 0.50 0.21 -0.01 0.00 0.00 175.02 174.93 1ign s LYS 575 N -2.93 1.13 -1.30 2.03 2.47 -1.26 -4.98 119.74 114.90 1ign s LYS 575 Ca 0.72 -0.50 -0.10 0.00 -1.56 0.00 0.00 55.97 54.54 1ign s LYS 575 Cb -0.41 0.51 -0.00 0.00 -1.46 0.00 0.00 37.83 36.47 1ign s LYS 575 CO 0.48 -0.45 0.57 -1.71 0.16 0.00 0.00 175.35 174.40 1ign n ASN 576 N -0.10 -2.32 -0.23 1.43 5.15 -1.26 -4.91 115.26 113.02 1ign n ASN 576 Ca -0.17 -1.03 0.02 0.00 -0.60 0.00 0.00 54.58 52.81 1ign n ASN 576 Cb 0.63 -3.08 0.04 0.00 -0.53 0.00 0.00 39.78 36.84 1ign n ASN 576 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1ign n LEU 577 N -4.37 1.80 0.00 1.20 7.99 -1.26 -5.19 117.00 117.16 1ign n LEU 577 Ca -0.22 -1.40 0.00 0.00 -0.01 0.00 0.00 56.01 54.38 1ign n LEU 577 Cb 0.64 -0.04 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 1ign n LEU 577 CO 0.72 0.42 0.00 0.41 -1.51 0.00 0.00 177.39 177.43 1ign n THR 578 N 0.14 0.00 -0.46 -5.08 -1.04 -1.26 -4.91 114.28 101.67 1ign n THR 578 Ca 0.04 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.89 1ign n THR 578 Cb 0.20 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.70 1ign n THR 578 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ign n PRO 587 N 0.00 0.00 -1.68 -2.82 -0.04 -1.26 -5.18 135.00 124.03 1ign n PRO 587 Ca 0.00 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 63.00 1ign n PRO 587 Cb 0.00 -0.33 -0.04 0.00 -0.04 0.00 0.00 33.50 33.09 1ign n PRO 587 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1ign n THR 588 N -0.06 0.21 -1.24 0.52 -1.04 -1.26 -4.95 114.28 106.46 1ign n THR 588 Ca 0.06 -0.04 -0.30 0.00 -2.04 0.00 0.00 64.05 61.72 1ign n THR 588 Cb 0.09 -1.76 0.11 0.00 -1.82 0.00 0.00 70.33 66.95 1ign n THR 588 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1ign s PRO 589 N 2.03 1.76 -0.77 -2.82 0.02 -1.26 -3.95 135.00 130.01 1ign s PRO 589 Ca 0.82 0.98 -0.01 0.00 0.02 0.00 0.00 61.00 62.82 1ign s PRO 589 Cb -0.63 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.04 1ign s PRO 589 CO 0.41 -1.94 0.10 0.41 -0.33 0.00 0.00 177.00 175.65 1ign n GLY 590 N -1.19 0.04 2.53 0.52 0.00 -1.26 -4.97 105.19 100.85 1ign n GLY 590 Ca 0.08 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 1ign n GLY 590 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ign n ASN 591 N 0.06 0.85 -4.37 1.61 5.15 -1.25 -5.02 115.26 112.28 1ign n ASN 591 Ca -0.09 -2.71 -0.45 0.00 -0.60 0.00 0.00 54.58 50.73 1ign n ASN 591 Cb 0.57 -0.63 -0.00 0.00 -0.53 0.00 0.00 39.78 39.19 1ign n ASN 591 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 1ign s TYR 592 N -0.66 4.03 0.46 1.20 1.51 -1.26 -5.02 117.35 117.62 1ign s TYR 592 Ca 0.31 -2.48 -0.03 0.00 -1.01 0.00 0.00 57.07 53.87 1ign s TYR 592 Cb 0.03 -3.95 0.10 0.00 -0.11 0.00 0.00 41.96 38.03 1ign s TYR 592 CO -0.17 -1.07 0.63 0.27 -1.11 0.00 0.00 175.55 174.10 1ign n ASN 593 N 3.56 0.58 0.00 2.29 0.23 -1.26 -2.21 115.26 118.46 1ign n ASN 593 Ca 0.26 -1.55 0.00 0.00 -0.53 0.00 0.00 54.58 52.75 1ign n ASN 593 Cb 0.41 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1ign n ASN 593 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79