#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs8 s VAL 502 N 0.00 5.01 0.27 0.44 1.01 -1.26 -4.48 120.40 121.39 1bs8 s VAL 502 Ca 0.00 1.18 -0.06 0.00 0.00 0.00 0.00 61.98 63.10 1bs8 s VAL 502 Cb 0.00 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 1bs8 s VAL 502 CO 0.00 0.09 0.55 -0.76 0.00 0.00 0.00 175.10 174.98 1bs8 s LEU 503 N 2.06 4.09 0.06 3.92 1.43 -1.26 -5.02 118.68 123.96 1bs8 s LEU 503 Ca 0.28 0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 53.85 1bs8 s LEU 503 Cb -0.16 -3.58 -0.07 0.00 0.03 0.00 0.00 46.19 42.42 1bs8 s LEU 503 CO 0.10 -0.16 1.36 -1.58 0.23 0.00 0.00 176.35 176.30 1bs8 s GLN 504 N -3.34 4.32 -0.19 1.70 0.74 -1.26 -4.94 119.66 116.70 1bs8 s GLN 504 Ca 0.45 1.98 -0.21 0.00 0.05 0.00 0.00 55.36 57.63 1bs8 s GLN 504 Cb -0.11 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.59 1bs8 s GLN 504 CO 0.28 -0.46 0.64 0.08 -0.55 0.00 0.00 175.29 175.28 1bs8 s VAL 505 N 1.57 5.02 0.34 1.34 1.01 -1.26 -4.48 120.40 123.94 1bs8 s VAL 505 Ca 0.63 1.21 -0.28 0.00 0.00 0.00 0.00 61.98 63.54 1bs8 s VAL 505 Cb -0.34 -3.96 -0.10 0.00 0.00 0.00 0.00 36.38 31.99 1bs8 s VAL 505 CO 0.29 0.12 1.27 -0.76 0.00 0.00 0.00 175.10 176.02 1bs8 s LEU 506 N 1.81 4.41 0.27 3.92 1.43 -0.38 -4.99 118.68 125.15 1bs8 s LEU 506 Ca 0.30 2.62 0.09 0.00 -1.03 0.00 0.00 54.13 56.11 1bs8 s LEU 506 Cb -0.16 -3.69 -0.04 0.00 0.03 0.00 0.00 46.19 42.33 1bs8 s LEU 506 CO 0.11 -0.52 0.04 -1.00 0.23 0.00 0.00 176.35 175.21 1bs8 s HIS 507 N -1.17 2.77 0.39 0.29 3.76 -1.26 -4.22 115.29 115.85 1bs8 s HIS 507 Ca 0.49 -0.21 -0.26 0.00 -0.15 0.00 0.00 55.06 54.93 1bs8 s HIS 507 Cb -0.38 -1.25 -0.09 0.00 1.11 0.00 0.00 32.58 31.97 1bs8 s HIS 507 CO 0.50 0.59 1.24 0.96 -0.85 0.00 0.00 174.74 177.18 1bs8 s ILE 508 N -2.29 2.88 -0.50 0.60 -4.36 -0.28 -1.46 121.20 115.77 1bs8 s ILE 508 Ca 0.32 0.78 0.02 0.00 -0.26 0.00 0.00 60.65 61.51 1bs8 s ILE 508 Cb -0.06 -3.46 0.58 0.00 1.25 0.00 0.00 42.46 40.77 1bs8 s ILE 508 CO 0.21 0.11 1.93 -0.81 0.24 0.00 0.00 174.94 176.62 1bs8 n PRO 509 N 0.22 2.34 -1.70 0.37 -0.04 -1.26 -4.75 135.00 130.18 1bs8 n PRO 509 Ca 0.03 -2.99 -0.43 0.00 -0.04 0.00 0.00 63.50 60.07 1bs8 n PRO 509 Cb 0.45 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.70 1bs8 n PRO 509 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bs8 n ASP 510 N -1.01 3.86 0.10 3.54 -0.08 -0.54 -4.89 116.55 117.53 1bs8 n ASP 510 Ca 0.59 1.04 0.13 0.00 -1.51 0.00 0.00 54.79 55.04 1bs8 n ASP 510 Cb 1.33 -1.54 0.36 0.00 2.34 0.00 0.00 41.12 43.62 1bs8 n ASP 510 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1bs8 n GLU 511 N 4.47 0.27 0.30 -0.67 1.02 -1.26 -2.20 120.64 122.57 1bs8 n GLU 511 Ca 0.17 0.20 0.17 0.00 -0.02 0.00 0.00 57.16 57.68 1bs8 n GLU 511 Cb 0.34 -1.79 0.95 0.00 -0.02 0.00 0.00 31.44 30.92 1bs8 n GLU 511 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1bs8 h ARG 512 N 0.00 0.00 0.00 3.49 3.08 -1.97 -1.30 114.38 117.68 1bs8 h ARG 512 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bs8 h ARG 512 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.80 1bs8 h ARG 512 CO 0.00 0.03 0.00 -0.07 -1.07 0.00 0.00 179.97 178.86 1bs8 h LEU 513 N 0.00 0.00 -2.88 3.04 4.07 -1.73 -2.58 115.31 115.23 1bs8 h LEU 513 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bs8 h LEU 513 Cb 0.10 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.84 1bs8 h LEU 513 CO 0.00 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.90 1bs8 n ARG 514 N -2.31 3.01 -2.98 1.13 5.12 -0.49 -4.41 116.66 115.73 1bs8 n ARG 514 Ca 0.01 -2.65 -0.36 0.00 -1.93 0.00 0.00 57.85 52.92 1bs8 n ARG 514 Cb 0.19 -1.61 -0.06 0.00 -1.16 0.00 0.00 32.46 29.81 1bs8 n ARG 514 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1bs8 s LYS 515 N -1.24 4.37 -0.22 5.56 1.02 -0.98 -4.47 119.74 123.79 1bs8 s LYS 515 Ca 0.46 1.04 -0.17 0.00 0.02 0.00 0.00 55.97 57.32 1bs8 s LYS 515 Cb 0.26 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 1bs8 s LYS 515 CO 0.28 0.34 0.47 0.08 -0.92 0.00 0.00 175.35 175.61 1bs8 s VAL 516 N -1.57 5.13 0.48 3.17 1.01 -1.26 -3.38 120.40 123.97 1bs8 s VAL 516 Ca 0.46 0.84 -0.22 0.00 0.00 0.00 0.00 61.98 63.06 1bs8 s VAL 516 Cb -0.17 -3.80 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1bs8 s VAL 516 CO 0.22 0.17 1.12 0.00 0.00 0.00 0.00 175.10 176.61 1bs8 s ALA 517 N 1.74 2.90 0.24 5.51 0.00 0.35 -4.96 121.76 127.54 1bs8 s ALA 517 Ca 0.21 0.82 -0.07 0.00 0.00 0.00 0.00 51.96 52.92 1bs8 s ALA 517 Cb -0.15 -3.34 -0.06 0.00 0.00 0.00 0.00 23.12 19.56 1bs8 s ALA 517 CO 0.09 -0.57 0.53 0.15 0.00 0.00 0.00 175.76 175.96 1bs8 s LYS 518 N -2.90 3.72 0.51 0.00 1.02 -0.29 -4.73 119.74 117.06 1bs8 s LYS 518 Ca 0.66 0.13 -0.20 0.00 0.02 0.00 0.00 55.97 56.57 1bs8 s LYS 518 Cb -0.25 -2.68 -0.07 0.00 -0.52 0.00 0.00 37.83 34.32 1bs8 s LYS 518 CO 0.29 0.30 1.09 -1.25 -0.92 0.00 0.00 175.35 174.86 1bs8 s PRO 519 N -3.04 3.62 0.02 -1.68 0.04 -1.26 -0.63 135.00 132.06 1bs8 s PRO 519 Ca 0.45 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 1bs8 s PRO 519 Cb -0.11 -2.09 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 1bs8 s PRO 519 CO 0.25 -0.61 1.59 0.08 0.04 0.00 0.00 177.00 178.34 1bs8 s VAL 520 N -1.85 3.37 -0.29 -0.36 1.01 -1.26 -4.79 120.40 116.23 1bs8 s VAL 520 Ca 0.69 0.71 0.22 0.00 0.00 0.00 0.00 61.98 63.60 1bs8 s VAL 520 Cb -0.21 -3.46 0.11 0.00 0.00 0.00 0.00 36.38 32.83 1bs8 s VAL 520 CO 0.24 -0.02 1.24 -0.33 0.00 0.00 0.00 175.10 176.23 1bs8 h GLU 521 N 8.52 0.00 -1.83 2.72 5.08 -2.02 -3.46 114.58 123.60 1bs8 h GLU 521 Ca -0.40 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1bs8 h GLU 521 Cb 1.19 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.22 1bs8 h GLU 521 CO 0.93 0.04 0.05 -2.00 -1.00 0.00 0.00 179.01 177.02 1bs8 s GLU 522 N -3.27 0.58 -0.94 2.33 2.12 -1.26 -5.09 118.70 113.18 1bs8 s GLU 522 Ca 0.02 1.17 -0.23 0.00 0.36 0.00 0.00 54.97 56.29 1bs8 s GLU 522 Cb 0.08 0.39 0.06 0.00 0.26 0.00 0.00 34.13 34.93 1bs8 s GLU 522 CO 0.75 -0.15 1.33 0.08 -0.54 0.00 0.00 175.26 176.73 1bs8 s VAL 523 N 2.07 4.08 0.00 3.70 1.01 -1.26 -4.80 120.40 125.20 1bs8 s VAL 523 Ca -0.08 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.18 1bs8 s VAL 523 Cb -0.07 -4.96 0.00 0.00 0.00 0.00 0.00 36.38 31.35 1bs8 s VAL 523 CO -0.19 -1.81 0.00 -0.46 0.00 0.00 0.00 175.10 172.64 1bs8 n ASN 524 N 8.42 1.76 0.21 3.32 0.23 -1.26 -4.76 115.26 123.17 1bs8 n ASN 524 Ca 0.24 0.00 0.11 0.00 -0.53 0.00 0.00 54.58 54.40 1bs8 n ASN 524 Cb 0.50 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.43 1bs8 n ASN 524 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bs8 h ALA 525 N 0.78 0.94 -0.38 -2.53 0.00 -1.98 -1.91 119.26 114.18 1bs8 h ALA 525 Ca 0.00 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1bs8 h ALA 525 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1bs8 h ALA 525 CO 0.00 0.14 -0.27 1.49 0.00 0.00 0.00 179.25 180.61 1bs8 h GLU 526 N 0.00 0.79 -0.03 0.00 4.81 -1.96 -2.11 114.58 116.08 1bs8 h GLU 526 Ca -0.00 -0.34 -0.16 0.00 -0.13 0.00 0.00 59.36 58.73 1bs8 h GLU 526 Cb 0.99 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1bs8 h GLU 526 CO 0.01 0.97 -0.68 0.82 -0.73 0.00 0.00 179.01 179.40 1bs8 h ILE 527 N 0.68 1.43 -0.12 2.32 1.08 -1.76 -2.64 117.51 118.51 1bs8 h ILE 527 Ca 0.08 -2.20 -0.14 0.00 -0.39 0.00 0.00 64.86 62.21 1bs8 h ILE 527 Cb 0.80 2.16 -0.01 0.00 -3.07 0.00 0.00 36.82 36.70 1bs8 h ILE 527 CO 0.07 0.64 -0.54 1.56 -0.69 0.00 0.00 178.15 179.18 1bs8 h GLN 528 N 0.11 0.35 -0.43 2.37 4.20 -1.24 -0.59 115.11 119.89 1bs8 h GLN 528 Ca -0.01 -0.22 -0.13 0.00 0.06 0.00 0.00 58.65 58.35 1bs8 h GLN 528 Cb 1.21 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 1bs8 h GLN 528 CO 0.10 0.81 -0.25 -0.09 -0.67 0.00 0.00 178.83 178.73 1bs8 h ARG 529 N 0.27 0.89 -0.28 1.46 2.43 -1.37 -1.35 114.38 116.43 1bs8 h ARG 529 Ca 0.00 -0.39 0.02 0.00 -0.81 0.00 0.00 59.98 58.81 1bs8 h ARG 529 Cb 1.04 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1bs8 h ARG 529 CO 0.09 1.04 0.14 0.82 -1.51 0.00 0.00 179.97 180.55 1bs8 h ILE 530 N 0.76 0.99 -0.48 1.20 2.04 -1.06 -1.37 117.51 119.59 1bs8 h ILE 530 Ca 0.09 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1bs8 h ILE 530 Cb 0.81 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1bs8 h ILE 530 CO 0.07 0.05 0.29 0.58 0.00 0.00 0.00 178.15 179.14 1bs8 h VAL 531 N 0.30 1.06 -0.43 1.67 2.07 -0.98 -0.19 116.25 119.75 1bs8 h VAL 531 Ca 0.12 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1bs8 h VAL 531 Cb 0.04 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.21 1bs8 h VAL 531 CO -0.08 0.11 0.08 0.44 0.02 0.00 0.00 177.57 178.13 1bs8 h ASP 532 N 0.58 0.61 -0.12 0.57 5.19 -1.07 -2.14 116.42 120.03 1bs8 h ASP 532 Ca 0.19 -0.10 -0.23 0.00 -0.62 0.00 0.00 57.03 56.26 1bs8 h ASP 532 Cb 0.01 -0.16 0.01 0.00 0.18 0.00 0.00 39.33 39.37 1bs8 h ASP 532 CO -0.08 0.63 -0.83 0.44 -3.12 0.00 0.00 179.24 176.28 1bs8 h ASP 533 N 0.63 0.94 -0.44 6.45 3.32 -0.74 -2.18 116.42 124.40 1bs8 h ASP 533 Ca 0.14 -0.64 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 1bs8 h ASP 533 Cb 0.28 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1bs8 h ASP 533 CO 0.00 1.44 0.05 0.24 -1.72 0.00 0.00 179.24 179.26 1bs8 h MET 534 N 0.52 0.81 0.31 3.56 2.86 -0.78 0.83 114.93 123.04 1bs8 h MET 534 Ca -0.07 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.36 1bs8 h MET 534 Cb 1.46 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1bs8 h MET 534 CO 0.17 0.78 -0.15 0.74 1.06 0.00 0.00 176.91 179.52 1bs8 h PHE 535 N 0.77 -0.38 -0.64 -0.22 0.04 -1.30 0.19 116.94 115.40 1bs8 h PHE 535 Ca 0.16 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 61.05 1bs8 h PHE 535 Cb 0.39 0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.57 1bs8 h PHE 535 CO 0.02 -0.20 0.12 0.93 -0.60 0.00 0.00 178.31 178.58 1bs8 h GLU 536 N -0.47 0.23 -0.60 1.51 5.08 -1.24 0.16 114.58 119.25 1bs8 h GLU 536 Ca -0.04 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1bs8 h GLU 536 Cb 0.36 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1bs8 h GLU 536 CO 0.07 0.15 0.08 1.15 -1.00 0.00 0.00 179.01 179.46 1bs8 h THR 537 N 0.24 1.26 -0.36 1.13 2.02 -0.68 -1.20 112.91 115.31 1bs8 h THR 537 Ca 0.34 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.42 1bs8 h THR 537 Cb 0.53 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1bs8 h THR 537 CO -0.45 0.38 -0.05 -0.03 0.37 0.00 0.00 175.52 175.74 1bs8 h MET 538 N 0.91 0.68 -0.46 6.66 1.85 0.32 -1.34 114.93 123.55 1bs8 h MET 538 Ca 0.18 -0.24 -0.13 0.00 -0.61 0.00 0.00 59.70 58.90 1bs8 h MET 538 Cb 0.46 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 1bs8 h MET 538 CO 0.02 0.81 -0.25 1.88 -0.40 0.00 0.00 176.91 178.97 1bs8 h TYR 539 N 0.48 1.11 -0.33 1.39 0.05 -0.67 -1.01 116.97 117.98 1bs8 h TYR 539 Ca 0.10 -0.28 -0.00 0.00 0.05 0.00 0.00 58.73 58.60 1bs8 h TYR 539 Cb 0.53 -0.25 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1bs8 h TYR 539 CO 0.04 1.09 0.20 0.00 -1.05 0.00 0.00 178.16 178.45 1bs8 h ALA 540 N 0.89 0.42 -0.20 3.88 0.00 -1.02 -1.93 119.26 121.30 1bs8 h ALA 540 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1bs8 h ALA 540 Cb 0.82 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1bs8 h ALA 540 CO 0.07 -0.09 0.00 0.39 0.00 0.00 0.00 179.25 179.63 1bs8 n GLU 541 N -4.82 1.57 -3.74 0.00 -0.58 -0.52 -4.95 120.64 107.60 1bs8 n GLU 541 Ca -0.01 -0.87 -0.23 0.00 -0.42 0.00 0.00 57.16 55.63 1bs8 n GLU 541 Cb 0.05 -1.26 0.03 0.00 -0.57 0.00 0.00 31.44 29.69 1bs8 n GLU 541 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bs8 n GLU 542 N 0.15 -5.12 -2.86 3.49 1.02 -0.49 -5.03 120.64 111.81 1bs8 n GLU 542 Ca 0.11 0.62 -0.19 0.00 -0.02 0.00 0.00 57.16 57.68 1bs8 n GLU 542 Cb 0.23 -5.26 0.02 0.00 -0.02 0.00 0.00 31.44 26.41 1bs8 n GLU 542 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1bs8 s GLY 543 N -4.14 1.84 0.00 0.62 0.00 -0.58 -5.03 107.32 100.03 1bs8 s GLY 543 Ca 0.14 -1.45 0.17 0.00 0.00 0.00 0.00 44.72 43.57 1bs8 s GLY 543 CO 0.81 -1.23 0.78 0.29 0.00 0.00 0.00 173.10 173.76 1bs8 n ILE 544 N -2.09 0.00 -3.68 0.90 -5.35 -1.26 -4.72 119.36 103.16 1bs8 n ILE 544 Ca 0.07 -0.20 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 1bs8 n ILE 544 Cb 0.59 1.09 -0.04 0.00 -1.74 0.00 0.00 39.64 39.54 1bs8 n ILE 544 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1bs8 s GLY 545 N -2.31 -0.19 -0.23 3.28 0.00 -1.26 -0.38 107.32 106.23 1bs8 s GLY 545 Ca 0.10 -0.11 -0.16 0.00 0.00 0.00 0.00 44.72 44.55 1bs8 s GLY 545 CO 0.57 -0.22 0.59 -2.27 0.00 0.00 0.00 173.10 171.76 1bs8 s LEU 546 N -2.84 -0.47 -0.01 0.66 2.96 0.25 -4.87 118.68 114.34 1bs8 s LEU 546 Ca 0.07 1.24 -0.00 0.00 -0.22 0.00 0.00 54.13 55.22 1bs8 s LEU 546 Cb -0.00 2.00 -0.04 0.00 0.50 0.00 0.00 46.19 48.65 1bs8 s LEU 546 CO -0.06 -0.22 0.05 0.00 -1.32 0.00 0.00 176.35 174.81 1bs8 s ALA 547 N 1.04 3.48 0.47 5.97 0.00 -1.26 -1.77 121.76 129.70 1bs8 s ALA 547 Ca -0.06 -0.88 0.24 0.00 0.00 0.00 0.00 51.96 51.26 1bs8 s ALA 547 Cb -0.05 -1.51 1.27 0.00 0.00 0.00 0.00 23.12 22.82 1bs8 s ALA 547 CO -0.10 0.67 1.88 0.00 0.00 0.00 0.00 175.76 178.21 1bs8 h ALA 548 N 4.30 2.47 0.00 0.00 0.00 -1.21 0.18 119.26 124.99 1bs8 h ALA 548 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1bs8 h ALA 548 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bs8 h ALA 548 CO 0.60 -0.73 0.00 1.79 0.00 0.00 0.00 179.25 180.91 1bs8 h THR 549 N 0.21 0.00 0.00 0.00 1.35 -1.60 -0.82 112.91 112.06 1bs8 h THR 549 Ca 0.43 -0.24 -0.06 0.00 -0.55 0.00 0.00 66.41 65.99 1bs8 h THR 549 Cb 1.35 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1bs8 h THR 549 CO -0.10 0.00 -0.30 1.56 -0.25 0.00 0.00 175.52 176.43 1bs8 h GLN 550 N 0.00 0.00 -0.44 4.72 4.20 -0.91 -2.60 115.11 120.08 1bs8 h GLN 550 Ca 0.00 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.51 1bs8 h GLN 550 Cb 0.29 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.95 1bs8 h GLN 550 CO 0.00 0.30 0.04 1.33 -0.67 0.00 0.00 178.83 179.84 1bs8 n VAL 551 N -3.27 2.61 -2.44 -0.54 0.24 -0.38 -1.24 118.33 113.31 1bs8 n VAL 551 Ca 0.02 -2.46 -0.16 0.00 -2.04 0.00 0.00 64.34 59.69 1bs8 n VAL 551 Cb 0.57 -0.33 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 1bs8 n VAL 551 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bs8 n ASP 552 N -1.00 -4.80 -4.16 -1.34 2.03 -0.98 -4.89 116.55 101.42 1bs8 n ASP 552 Ca 0.35 -0.07 -0.34 0.00 0.52 0.00 0.00 54.79 55.26 1bs8 n ASP 552 Cb 1.11 -3.85 -0.15 0.00 -0.72 0.00 0.00 41.12 37.51 1bs8 n ASP 552 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bs8 s ILE 553 N -2.85 2.61 -1.09 5.18 1.01 -0.76 -5.00 121.20 120.29 1bs8 s ILE 553 Ca 0.06 -1.17 -0.04 0.00 0.00 0.00 0.00 60.65 59.50 1bs8 s ILE 553 Cb -0.03 -2.35 0.30 0.00 0.01 0.00 0.00 42.46 40.40 1bs8 s ILE 553 CO 0.07 0.18 1.55 1.41 0.00 0.00 0.00 174.94 178.16 1bs8 n HIS 554 N 4.61 2.31 -3.89 3.97 8.25 -1.26 -1.81 115.22 127.40 1bs8 n HIS 554 Ca -0.16 -2.57 -0.11 0.00 -0.26 0.00 0.00 57.72 54.61 1bs8 n HIS 554 Cb 0.46 -1.29 -0.10 0.00 1.12 0.00 0.00 29.99 30.19 1bs8 n HIS 554 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1bs8 s GLN 555 N -2.80 0.47 -1.23 -0.41 -0.21 -1.25 -1.14 119.66 113.09 1bs8 s GLN 555 Ca 0.32 -0.44 -0.20 0.00 0.02 0.00 0.00 55.36 55.06 1bs8 s GLN 555 Cb 0.07 0.19 -0.02 0.00 1.00 0.00 0.00 33.01 34.25 1bs8 s GLN 555 CO 0.08 -0.11 1.86 0.54 -2.12 0.00 0.00 175.29 175.54 1bs8 n ARG 556 N 1.44 2.34 -4.30 2.91 1.74 0.20 -4.52 116.66 116.47 1bs8 n ARG 556 Ca -0.23 -2.79 -0.21 0.00 -0.77 0.00 0.00 57.85 53.86 1bs8 n ARG 556 Cb 0.56 -3.57 -0.16 0.00 -1.02 0.00 0.00 32.46 28.27 1bs8 n ARG 556 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bs8 s ILE 557 N 7.43 0.70 -0.01 0.55 1.01 -1.26 -1.34 121.20 128.28 1bs8 s ILE 557 Ca 0.61 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.04 1bs8 s ILE 557 Cb 0.03 -0.68 -0.01 0.00 0.01 0.00 0.00 42.46 41.82 1bs8 s ILE 557 CO 0.10 0.25 -0.08 -0.63 0.00 0.00 0.00 174.94 174.58 1bs8 s ILE 558 N 0.71 0.67 0.01 2.92 1.01 0.20 -0.84 121.20 125.89 1bs8 s ILE 558 Ca -0.11 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.24 1bs8 s ILE 558 Cb -0.14 -0.56 -0.02 0.00 0.01 0.00 0.00 42.46 41.75 1bs8 s ILE 558 CO 0.01 0.19 -0.19 0.68 0.00 0.00 0.00 174.94 175.63 1bs8 s VAL 559 N -0.19 1.49 0.00 2.92 -7.23 -0.73 -1.29 120.40 115.38 1bs8 s VAL 559 Ca 0.03 -0.97 -0.03 0.00 -1.81 0.00 0.00 61.98 59.21 1bs8 s VAL 559 Cb -0.03 -1.28 -0.01 0.00 0.56 0.00 0.00 36.38 35.62 1bs8 s VAL 559 CO -0.00 0.29 0.04 -0.63 -0.31 0.00 0.00 175.10 174.49 1bs8 s ILE 560 N -0.62 0.07 -0.28 -0.62 1.01 -0.81 -0.59 121.20 119.37 1bs8 s ILE 560 Ca 0.07 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.17 1bs8 s ILE 560 Cb -0.08 -0.25 0.14 0.00 0.01 0.00 0.00 42.46 42.28 1bs8 s ILE 560 CO 0.00 -0.30 0.32 -0.62 0.00 0.00 0.00 174.94 174.34 1bs8 s ASP 561 N -0.93 1.32 0.00 3.58 -1.08 0.49 -2.36 116.67 117.68 1bs8 s ASP 561 Ca -0.10 -0.58 0.25 0.00 -0.52 0.00 0.00 52.55 51.60 1bs8 s ASP 561 Cb -0.06 0.65 0.68 0.00 -1.46 0.00 0.00 42.92 42.73 1bs8 s ASP 561 CO 0.00 -0.37 1.53 1.33 0.52 0.00 0.00 175.17 178.18 1bs8 n VAL 562 N 5.32 0.07 -1.86 1.11 0.24 -1.26 -4.57 118.33 117.38 1bs8 n VAL 562 Ca -0.02 -0.39 -0.33 0.00 -2.04 0.00 0.00 64.34 61.56 1bs8 n VAL 562 Cb 0.47 0.85 0.04 0.00 -1.47 0.00 0.00 33.84 33.73 1bs8 n VAL 562 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bs8 s SER 563 N -1.90 5.23 0.21 -1.34 1.04 -1.26 -4.96 113.70 110.73 1bs8 s SER 563 Ca 0.34 2.03 0.01 0.00 0.48 0.00 0.00 55.95 58.81 1bs8 s SER 563 Cb 0.20 -2.56 0.18 0.00 0.10 0.00 0.00 66.02 63.95 1bs8 s SER 563 CO 0.31 -1.55 1.53 -0.33 0.98 0.00 0.00 173.24 174.19 1bs8 h GLU 564 N 0.26 0.40 -0.61 4.02 5.08 -2.00 -3.00 114.58 118.72 1bs8 h GLU 564 Ca -0.47 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 1bs8 h GLU 564 Cb 1.25 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.53 1bs8 h GLU 564 CO 0.55 0.86 0.00 0.09 -1.00 0.00 0.00 179.01 179.51 1bs8 n ASN 565 N -3.92 4.40 -3.98 1.42 3.02 -1.26 -4.96 115.26 109.98 1bs8 n ASN 565 Ca -0.03 -2.36 -0.28 0.00 -0.03 0.00 0.00 54.58 51.89 1bs8 n ASN 565 Cb 0.61 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1bs8 n ASN 565 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bs8 n ARG 566 N 1.06 -3.64 -0.17 3.52 5.12 -1.14 -4.89 116.66 116.52 1bs8 n ARG 566 Ca 0.24 0.44 0.03 0.00 -1.93 0.00 0.00 57.85 56.62 1bs8 n ARG 566 Cb 0.80 -4.80 0.04 0.00 -1.16 0.00 0.00 32.46 27.34 1bs8 n ARG 566 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1bs8 n ASP 567 N -2.91 1.03 -4.18 0.55 5.68 -1.26 -5.00 116.55 110.45 1bs8 n ASP 567 Ca -0.20 -2.06 -0.35 0.00 -0.50 0.00 0.00 54.79 51.68 1bs8 n ASP 567 Cb 0.63 -0.17 -0.13 0.00 -1.14 0.00 0.00 41.12 40.30 1bs8 n ASP 567 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1bs8 s GLU 568 N -0.97 2.40 -0.18 0.11 2.12 -1.26 -5.09 118.70 115.83 1bs8 s GLU 568 Ca 0.08 -1.31 -0.08 0.00 0.36 0.00 0.00 54.97 54.02 1bs8 s GLU 568 Cb 0.07 -3.24 -0.04 0.00 0.26 0.00 0.00 34.13 31.18 1bs8 s GLU 568 CO 0.01 -0.66 0.09 1.03 -0.54 0.00 0.00 175.26 175.18 1bs8 s ARG 569 N 1.25 3.99 -0.08 4.30 0.52 -1.26 -4.35 118.95 123.32 1bs8 s ARG 569 Ca -0.04 -0.29 0.01 0.00 -0.52 0.00 0.00 55.73 54.90 1bs8 s ARG 569 Cb -0.20 -3.27 0.02 0.00 0.52 0.00 0.00 34.95 32.02 1bs8 s ARG 569 CO -0.01 0.32 -0.11 -1.17 0.02 0.00 0.00 175.30 174.36 1bs8 s LEU 570 N 0.25 1.51 -0.14 2.53 2.96 -0.99 -5.04 118.68 119.75 1bs8 s LEU 570 Ca 0.06 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1bs8 s LEU 570 Cb -0.12 -0.84 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 1bs8 s LEU 570 CO -0.00 -0.01 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.17 1bs8 s VAL 571 N 0.99 2.72 -0.33 1.68 1.01 -1.26 -1.92 120.40 123.29 1bs8 s VAL 571 Ca -0.08 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.14 1bs8 s VAL 571 Cb -0.15 -2.14 0.08 0.00 0.00 0.00 0.00 36.38 34.17 1bs8 s VAL 571 CO -0.00 0.52 0.05 -0.76 0.00 0.00 0.00 175.10 174.91 1bs8 s LEU 572 N 0.66 4.40 -0.13 3.92 1.43 -0.41 -4.55 118.68 123.99 1bs8 s LEU 572 Ca -0.08 -1.70 -0.03 0.00 -1.03 0.00 0.00 54.13 51.29 1bs8 s LEU 572 Cb -0.16 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 1bs8 s LEU 572 CO 0.02 -0.35 -0.03 -0.63 0.23 0.00 0.00 176.35 175.59 1bs8 s ILE 573 N 1.12 4.02 -1.31 -0.59 1.01 -0.32 -0.63 121.20 124.51 1bs8 s ILE 573 Ca 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 1bs8 s ILE 573 Cb -0.20 -2.74 0.01 0.00 0.01 0.00 0.00 42.46 39.53 1bs8 s ILE 573 CO -0.04 0.53 0.78 0.59 0.00 0.00 0.00 174.94 176.79 1bs8 n ASN 574 N 3.09 -1.69 -4.76 3.58 3.02 -0.45 -0.42 115.26 117.63 1bs8 n ASN 574 Ca -0.18 -0.78 -0.39 0.00 -0.03 0.00 0.00 54.58 53.21 1bs8 n ASN 574 Cb 0.53 -4.24 0.01 0.00 -0.61 0.00 0.00 39.78 35.48 1bs8 n ASN 574 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1bs8 s PRO 575 N -5.94 3.59 -0.03 3.52 0.04 -1.26 -4.50 135.00 130.42 1bs8 s PRO 575 Ca 0.07 2.14 0.01 0.00 0.04 0.00 0.00 61.00 63.25 1bs8 s PRO 575 Cb -0.03 -2.49 0.02 0.00 0.04 0.00 0.00 34.50 32.03 1bs8 s PRO 575 CO 0.80 -0.80 -0.03 -1.83 0.04 0.00 0.00 177.00 175.18 1bs8 s GLU 576 N -2.61 0.54 -0.28 4.56 -1.05 0.54 -4.98 118.70 115.42 1bs8 s GLU 576 Ca 0.64 -0.08 -0.29 0.00 -0.15 0.00 0.00 54.97 55.09 1bs8 s GLU 576 Cb -0.38 -0.59 0.01 0.00 -0.44 0.00 0.00 34.13 32.73 1bs8 s GLU 576 CO 0.46 -0.03 1.17 -1.17 0.95 0.00 0.00 175.26 176.64 1bs8 s LEU 577 N 0.60 3.97 -0.06 1.83 2.96 -1.26 -1.25 118.68 125.46 1bs8 s LEU 577 Ca -0.07 1.22 -0.07 0.00 -0.22 0.00 0.00 54.13 55.00 1bs8 s LEU 577 Cb -0.10 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.76 1bs8 s LEU 577 CO -0.00 -0.91 0.59 -0.07 -1.32 0.00 0.00 176.35 174.64 1bs8 h LEU 578 N 10.22 0.47 -7.18 -0.68 3.38 -0.57 -3.49 115.31 117.47 1bs8 h LEU 578 Ca -0.23 -0.82 -0.07 0.00 0.09 0.00 0.00 57.88 56.85 1bs8 h LEU 578 Cb 1.08 -0.15 -0.19 0.00 0.09 0.00 0.00 40.66 41.49 1bs8 h LEU 578 CO 1.02 1.71 0.04 -1.61 0.09 0.00 0.00 178.44 179.68 1bs8 s GLU 579 N -2.58 0.95 0.04 1.13 2.02 -1.14 -4.98 118.70 114.14 1bs8 s GLU 579 Ca -0.16 0.03 -0.03 0.00 0.02 0.00 0.00 54.97 54.84 1bs8 s GLU 579 Cb 0.06 0.44 -0.02 0.00 0.10 0.00 0.00 34.13 34.71 1bs8 s GLU 579 CO 0.82 -0.30 0.02 -1.59 0.02 0.00 0.00 175.26 174.23 1bs8 s LYS 580 N -1.50 0.55 0.04 1.61 -2.85 -1.26 -0.73 119.74 115.60 1bs8 s LYS 580 Ca -0.10 -0.93 -0.17 0.00 -1.00 0.00 0.00 55.97 53.77 1bs8 s LYS 580 Cb -0.02 0.20 0.03 0.00 -2.06 0.00 0.00 37.83 35.99 1bs8 s LYS 580 CO 0.06 -0.12 0.39 -1.54 0.10 0.00 0.00 175.35 174.24 1bs8 s SER 581 N -2.35 -0.25 0.00 0.03 1.04 -0.43 -4.98 113.70 106.75 1bs8 s SER 581 Ca -0.02 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.37 1bs8 s SER 581 Cb 0.01 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1bs8 s SER 581 CO -0.06 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1bs8 n GLY 582 N 0.53 -0.94 3.08 7.32 0.00 -1.26 -0.88 105.19 113.04 1bs8 n GLY 582 Ca -0.19 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.05 1bs8 n GLY 582 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bs8 s GLU 583 N -1.09 0.23 0.34 1.61 1.03 -1.26 -3.27 118.70 116.30 1bs8 s GLU 583 Ca 0.00 0.37 0.05 0.00 0.03 0.00 0.00 54.97 55.42 1bs8 s GLU 583 Cb 0.00 0.04 -0.03 0.00 -0.80 0.00 0.00 34.13 33.35 1bs8 s GLU 583 CO 0.00 -0.07 0.22 0.95 -1.33 0.00 0.00 175.26 175.02 1bs8 s THR 584 N 0.47 0.20 -0.28 1.83 -4.23 0.86 -4.56 115.64 109.92 1bs8 s THR 584 Ca -0.03 -2.00 -0.19 0.00 -1.18 0.00 0.00 61.69 58.29 1bs8 s THR 584 Cb -0.04 -2.45 0.10 0.00 1.34 0.00 0.00 72.50 71.45 1bs8 s THR 584 CO -0.02 0.00 0.84 -0.83 -0.54 0.00 0.00 174.62 174.06 1bs8 s GLY 585 N -3.43 -0.36 0.53 3.99 0.00 -1.26 0.66 107.32 107.45 1bs8 s GLY 585 Ca 0.35 2.60 0.06 0.00 0.00 0.00 0.00 44.72 47.73 1bs8 s GLY 585 CO 0.22 2.23 0.40 -0.26 0.00 0.00 0.00 173.10 175.69 1bs8 s ILE 586 N 1.07 1.78 -0.67 0.90 -4.36 -1.26 -4.92 121.20 113.74 1bs8 s ILE 586 Ca -0.05 -1.48 -0.26 0.00 -0.26 0.00 0.00 60.65 58.60 1bs8 s ILE 586 Cb -0.05 -2.26 0.04 0.00 1.25 0.00 0.00 42.46 41.44 1bs8 s ILE 586 CO -0.12 0.00 1.14 -1.61 0.24 0.00 0.00 174.94 174.59 1bs8 s GLU 587 N -4.25 3.24 0.29 0.37 2.02 -1.26 -3.11 118.70 115.99 1bs8 s GLU 587 Ca 0.36 -0.32 -0.12 0.00 0.02 0.00 0.00 54.97 54.91 1bs8 s GLU 587 Cb -0.02 -4.15 -0.08 0.00 0.10 0.00 0.00 34.13 29.98 1bs8 s GLU 587 CO 0.22 -1.90 0.65 -1.21 0.02 0.00 0.00 175.26 173.04 1bs8 s GLU 588 N 4.94 3.88 0.45 1.61 2.02 0.76 -4.65 118.70 127.70 1bs8 s GLU 588 Ca 0.32 0.45 0.03 0.00 0.02 0.00 0.00 54.97 55.80 1bs8 s GLU 588 Cb -0.11 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1bs8 s GLU 588 CO 0.16 0.21 0.03 0.20 0.02 0.00 0.00 175.26 175.88 1bs8 s GLY 589 N -2.43 2.73 -0.22 -1.39 0.00 -1.26 -2.30 107.32 102.45 1bs8 s GLY 589 Ca 0.51 -1.18 -0.17 0.00 0.00 0.00 0.00 44.72 43.87 1bs8 s GLY 589 CO 0.21 -2.08 0.56 0.00 0.00 0.00 0.00 173.10 171.79 1bs8 h LEU 591 N 5.87 0.00 -0.32 0.00 3.38 -1.96 -2.42 115.31 119.86 1bs8 h LEU 591 Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 1bs8 h LEU 591 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1bs8 h LEU 591 CO 0.18 0.09 -0.17 -1.20 0.09 0.00 0.00 178.44 177.43 1bs8 n SER 592 N -3.55 0.67 -3.42 -0.43 7.64 -1.26 -4.19 113.62 109.08 1bs8 n SER 592 Ca -0.02 -0.67 -0.26 0.00 1.01 0.00 0.00 58.87 58.93 1bs8 n SER 592 Cb 0.22 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.33 1bs8 n SER 592 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bs8 n ILE 593 N -0.86 0.30 -1.68 0.44 5.41 -0.91 -1.13 119.36 120.93 1bs8 n ILE 593 Ca 0.13 -4.29 -0.45 0.00 1.00 0.00 0.00 62.75 59.14 1bs8 n ILE 593 Cb 0.31 -1.95 -0.04 0.00 -0.71 0.00 0.00 39.64 37.24 1bs8 n ILE 593 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 1bs8 n PRO 594 N 1.74 2.41 -1.09 0.38 -0.04 -1.26 -2.91 135.00 134.24 1bs8 n PRO 594 Ca 0.25 0.87 -0.03 0.00 -0.04 0.00 0.00 63.50 64.56 1bs8 n PRO 594 Cb 0.46 -2.70 -0.01 0.00 -0.04 0.00 0.00 33.50 31.20 1bs8 n PRO 594 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1bs8 n GLU 595 N 4.66 -0.64 -4.82 0.54 1.02 -1.26 -4.77 120.64 115.37 1bs8 n GLU 595 Ca 0.18 0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 57.41 1bs8 n GLU 595 Cb 0.32 -4.07 -0.14 0.00 -0.02 0.00 0.00 31.44 27.54 1bs8 n GLU 595 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1bs8 s GLN 596 N -1.49 2.98 0.03 3.49 -1.52 -1.15 -5.11 119.66 116.89 1bs8 s GLN 596 Ca 0.00 -0.68 0.04 0.00 -1.95 0.00 0.00 55.36 52.77 1bs8 s GLN 596 Cb 0.00 -2.52 -0.02 0.00 -0.22 0.00 0.00 33.01 30.25 1bs8 s GLN 596 CO 0.00 0.41 -0.12 1.03 -0.25 0.00 0.00 175.29 176.36 1bs8 s ARG 597 N -0.17 0.82 -0.06 2.91 0.52 -1.26 -4.41 118.95 117.30 1bs8 s ARG 597 Ca -0.00 -0.65 -0.26 0.00 -0.52 0.00 0.00 55.73 54.30 1bs8 s ARG 597 Cb -0.13 -0.79 0.06 0.00 0.52 0.00 0.00 34.95 34.61 1bs8 s ARG 597 CO 0.03 0.20 0.58 0.00 0.02 0.00 0.00 175.30 176.13 1bs8 s ALA 598 N -0.76 -1.51 0.13 2.13 0.00 -0.97 -4.88 121.76 115.89 1bs8 s ALA 598 Ca 0.00 1.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.79 1bs8 s ALA 598 Cb -0.07 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 1bs8 s ALA 598 CO 0.01 -0.34 1.13 -1.17 0.00 0.00 0.00 175.76 175.39 1bs8 s LEU 599 N -1.05 4.44 -0.04 0.00 0.20 -1.25 -0.17 118.68 120.81 1bs8 s LEU 599 Ca -0.10 2.04 0.02 0.00 0.69 0.00 0.00 54.13 56.77 1bs8 s LEU 599 Cb -0.02 -3.59 0.01 0.00 -0.43 0.00 0.00 46.19 42.16 1bs8 s LEU 599 CO 0.08 -0.31 -0.07 -0.69 -0.29 0.00 0.00 176.35 175.06 1bs8 s VAL 600 N 0.29 0.69 0.17 1.68 1.01 -1.18 -4.95 120.40 118.11 1bs8 s VAL 600 Ca 0.53 -0.26 -0.32 0.00 0.00 0.00 0.00 61.98 61.93 1bs8 s VAL 600 Cb -0.29 -0.65 -0.10 0.00 0.00 0.00 0.00 36.38 35.34 1bs8 s VAL 600 CO 0.33 0.24 1.57 -2.16 0.00 0.00 0.00 175.10 175.07 1bs8 s PRO 601 N 0.53 4.21 0.14 2.72 0.04 -1.26 -4.23 135.00 137.15 1bs8 s PRO 601 Ca -0.08 2.37 0.05 0.00 0.04 0.00 0.00 61.00 63.38 1bs8 s PRO 601 Cb -0.12 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1bs8 s PRO 601 CO 0.01 -0.61 -0.11 1.03 0.04 0.00 0.00 177.00 177.36 1bs8 s ARG 602 N 1.11 1.05 0.43 4.56 1.81 0.21 -4.98 118.95 123.14 1bs8 s ARG 602 Ca 0.70 -1.40 -0.24 0.00 -1.72 0.00 0.00 55.73 53.07 1bs8 s ARG 602 Cb -0.44 -0.69 -0.08 0.00 -0.45 0.00 0.00 34.95 33.29 1bs8 s ARG 602 CO 0.31 0.10 1.17 0.00 -0.68 0.00 0.00 175.30 176.20 1bs8 s ALA 603 N -3.02 3.08 0.03 2.13 0.00 -1.26 -0.10 121.76 122.61 1bs8 s ALA 603 Ca 0.15 0.95 -0.08 0.00 0.00 0.00 0.00 51.96 52.98 1bs8 s ALA 603 Cb 0.01 -3.38 -0.31 0.00 0.00 0.00 0.00 23.12 19.44 1bs8 s ALA 603 CO 0.01 -0.58 0.96 1.49 0.00 0.00 0.00 175.76 177.64 1bs8 h GLU 604 N 2.38 0.36 -6.16 0.00 4.81 -1.24 -3.41 114.58 111.32 1bs8 h GLU 604 Ca -0.49 -0.61 -0.56 0.00 -0.13 0.00 0.00 59.36 57.57 1bs8 h GLU 604 Cb 1.24 0.23 -0.22 0.00 0.63 0.00 0.00 28.75 30.63 1bs8 h GLU 604 CO 0.61 1.26 -0.83 0.15 -0.73 0.00 0.00 179.01 179.48 1bs8 s LYS 605 N -2.62 1.13 -0.12 1.92 1.02 -0.06 -3.69 119.74 117.32 1bs8 s LYS 605 Ca -0.08 -1.17 -0.13 0.00 0.02 0.00 0.00 55.97 54.61 1bs8 s LYS 605 Cb 0.06 -1.38 0.03 0.00 -0.52 0.00 0.00 37.83 36.02 1bs8 s LYS 605 CO 0.89 0.32 0.36 0.08 -0.92 0.00 0.00 175.35 176.08 1bs8 s VAL 606 N -1.18 0.01 -0.14 3.17 1.01 -0.54 -1.32 120.40 121.41 1bs8 s VAL 606 Ca 0.07 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 61.99 1bs8 s VAL 606 Cb -0.10 -0.53 0.02 0.00 0.00 0.00 0.00 36.38 35.77 1bs8 s VAL 606 CO 0.04 -0.04 -0.15 -0.75 0.00 0.00 0.00 175.10 174.21 1bs8 s LYS 607 N -0.03 2.28 0.19 2.72 2.20 0.09 -0.50 119.74 126.69 1bs8 s LYS 607 Ca -0.02 -0.56 0.10 0.00 -0.36 0.00 0.00 55.97 55.13 1bs8 s LYS 607 Cb -0.03 -2.05 -0.04 0.00 -1.51 0.00 0.00 37.83 34.20 1bs8 s LYS 607 CO 0.01 -0.18 -0.20 0.96 -0.36 0.00 0.00 175.35 175.57 1bs8 s ILE 608 N 1.34 2.07 -0.14 5.43 -4.36 0.57 0.23 121.20 126.34 1bs8 s ILE 608 Ca 0.02 -2.02 0.01 0.00 -0.26 0.00 0.00 60.65 58.40 1bs8 s ILE 608 Cb -0.13 -1.99 -0.00 0.00 1.25 0.00 0.00 42.46 41.58 1bs8 s ILE 608 CO -0.08 -0.26 -0.16 -0.60 0.24 0.00 0.00 174.94 174.07 1bs8 s ARG 609 N -2.85 3.21 0.25 0.37 3.52 -0.38 -0.70 118.95 122.36 1bs8 s ARG 609 Ca 0.19 -0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 54.99 1bs8 s ARG 609 Cb -0.06 -2.58 -0.02 0.00 -1.56 0.00 0.00 34.95 30.72 1bs8 s ARG 609 CO 0.09 0.06 0.29 0.00 -0.81 0.00 0.00 175.30 174.92 1bs8 s ALA 610 N 0.70 0.81 0.02 6.12 0.00 -0.46 -0.34 121.76 128.61 1bs8 s ALA 610 Ca -0.08 -1.49 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 1bs8 s ALA 610 Cb -0.16 1.28 -0.04 0.00 0.00 0.00 0.00 23.12 24.20 1bs8 s ALA 610 CO 0.01 -0.70 0.22 -0.51 0.00 0.00 0.00 175.76 174.79 1bs8 s LEU 611 N -3.15 4.36 0.00 0.00 1.43 0.44 -0.16 118.68 121.60 1bs8 s LEU 611 Ca 0.34 0.41 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 1bs8 s LEU 611 Cb 0.03 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.52 1bs8 s LEU 611 CO 0.14 0.23 0.00 -0.90 0.23 0.00 0.00 176.35 176.05 1bs8 n ASP 612 N 0.82 0.00 0.30 2.29 5.68 -0.25 -1.17 116.55 124.22 1bs8 n ASP 612 Ca -0.09 -0.90 0.16 0.00 -0.50 0.00 0.00 54.79 53.46 1bs8 n ASP 612 Cb 0.52 0.00 0.93 0.00 -1.14 0.00 0.00 41.12 41.43 1bs8 n ASP 612 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1bs8 h ARG 613 N 0.00 0.00 -0.56 0.11 2.43 -1.89 -0.16 114.38 114.30 1bs8 h ARG 613 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bs8 h ARG 613 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1bs8 h ARG 613 CO 0.00 0.02 0.00 -0.25 -1.51 0.00 0.00 179.97 178.23 1bs8 n ASP 614 N -3.67 3.11 -0.15 -3.80 8.00 -1.26 -4.87 116.55 113.91 1bs8 n ASP 614 Ca -0.03 -1.99 -0.02 0.00 0.71 0.00 0.00 54.79 53.47 1bs8 n ASP 614 Cb 0.11 -0.37 -0.01 0.00 -0.02 0.00 0.00 41.12 40.83 1bs8 n ASP 614 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bs8 n GLY 615 N 1.43 0.46 3.69 0.44 0.00 -0.07 -5.00 105.19 106.14 1bs8 n GLY 615 Ca 0.20 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1bs8 n GLY 615 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs8 s LYS 616 N -1.29 4.45 0.31 1.61 -0.14 -1.26 -4.76 119.74 118.67 1bs8 s LYS 616 Ca 0.00 1.41 -0.29 0.00 -1.36 0.00 0.00 55.97 55.73 1bs8 s LYS 616 Cb 0.00 -3.52 -0.10 0.00 -1.68 0.00 0.00 37.83 32.53 1bs8 s LYS 616 CO 0.00 -0.26 1.23 -1.25 -0.76 0.00 0.00 175.35 174.31 1bs8 s PRO 617 N 1.78 4.46 0.11 -1.68 0.04 -1.26 -1.09 135.00 137.36 1bs8 s PRO 617 Ca 0.50 2.06 -0.05 0.00 0.04 0.00 0.00 61.00 63.54 1bs8 s PRO 617 Cb -0.19 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 1bs8 s PRO 617 CO 0.21 -0.04 0.13 -0.59 0.04 0.00 0.00 177.00 176.75 1bs8 s PHE 618 N -1.15 0.45 0.05 0.56 -0.71 0.78 -4.91 117.98 113.04 1bs8 s PHE 618 Ca 0.47 -0.88 0.09 0.00 -1.04 0.00 0.00 56.93 55.57 1bs8 s PHE 618 Cb -0.37 -0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.19 1bs8 s PHE 618 CO 0.48 -0.54 -0.24 -1.21 -1.34 0.00 0.00 175.22 172.37 1bs8 s GLU 619 N -3.94 1.86 -0.07 1.99 2.02 -1.26 -1.35 118.70 117.95 1bs8 s GLU 619 Ca 0.13 -1.08 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 1bs8 s GLU 619 Cb 0.06 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.28 1bs8 s GLU 619 CO -0.05 0.52 0.01 -1.17 0.02 0.00 0.00 175.26 174.58 1bs8 s LEU 620 N -1.32 0.56 -0.23 1.80 2.96 0.12 -4.98 118.68 117.60 1bs8 s LEU 620 Ca 0.13 -0.06 -0.20 0.00 -0.22 0.00 0.00 54.13 53.77 1bs8 s LEU 620 Cb -0.10 -0.40 -0.02 0.00 0.50 0.00 0.00 46.19 46.17 1bs8 s LEU 620 CO 0.03 -0.19 0.61 -1.61 -1.32 0.00 0.00 176.35 173.86 1bs8 s GLU 621 N 1.95 4.14 0.06 1.98 2.02 -1.26 -0.31 118.70 127.28 1bs8 s GLU 621 Ca 0.04 0.53 0.08 0.00 0.02 0.00 0.00 54.97 55.64 1bs8 s GLU 621 Cb -0.12 -3.62 -0.03 0.00 0.10 0.00 0.00 34.13 30.46 1bs8 s GLU 621 CO -0.05 -0.33 -0.21 0.00 0.02 0.00 0.00 175.26 174.69 1bs8 s ALA 622 N 2.23 1.78 0.00 5.21 0.00 0.34 -5.00 121.76 126.32 1bs8 s ALA 622 Ca 0.26 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1bs8 s ALA 622 Cb -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1bs8 s ALA 622 CO 0.09 0.39 0.00 -0.40 0.00 0.00 0.00 175.76 175.84 1bs8 n ASP 623 N 1.62 0.70 0.00 0.00 5.68 -1.26 -1.47 116.55 121.83 1bs8 n ASP 623 Ca -0.18 -0.83 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 1bs8 n ASP 623 Cb 0.53 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 1bs8 n ASP 623 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bs8 n GLY 624 N 1.76 0.64 0.35 6.12 0.00 -1.24 -2.22 105.19 110.60 1bs8 n GLY 624 Ca 0.00 -0.78 0.08 0.00 0.00 0.00 0.00 46.02 45.32 1bs8 n GLY 624 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bs8 h LEU 625 N 0.00 0.86 -0.43 0.99 6.46 -1.99 -2.27 115.31 118.93 1bs8 h LEU 625 Ca 0.00 0.06 0.05 0.00 -0.12 0.00 0.00 57.88 57.87 1bs8 h LEU 625 Cb 0.00 -0.11 -0.05 0.00 -0.73 0.00 0.00 40.66 39.78 1bs8 h LEU 625 CO 0.00 0.42 0.16 0.25 -0.62 0.00 0.00 178.44 178.65 1bs8 h LEU 626 N 0.91 0.18 -0.54 2.25 6.46 -1.93 -0.84 115.31 121.80 1bs8 h LEU 626 Ca 0.51 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 58.32 1bs8 h LEU 626 Cb 0.58 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.51 1bs8 h LEU 626 CO -0.30 0.14 0.36 0.00 -0.62 0.00 0.00 178.44 178.02 1bs8 h ALA 627 N 1.27 0.69 -0.68 1.25 0.00 -0.94 -1.97 119.26 118.88 1bs8 h ALA 627 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1bs8 h ALA 627 Cb 0.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1bs8 h ALA 627 CO -0.19 0.13 0.37 0.82 0.00 0.00 0.00 179.25 180.38 1bs8 h ILE 628 N 0.73 1.20 0.03 0.00 2.04 -1.13 -2.90 117.51 117.49 1bs8 h ILE 628 Ca 0.20 -0.50 -0.22 0.00 1.00 0.00 0.00 64.86 65.34 1bs8 h ILE 628 Cb -0.08 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 1bs8 h ILE 628 CO -0.04 0.23 -1.00 0.00 0.00 0.00 0.00 178.15 177.34 1bs8 h ILE 630 N 0.05 1.38 0.04 0.00 2.04 -1.25 -2.03 117.51 117.73 1bs8 h ILE 630 Ca -0.05 -1.90 -0.16 0.00 1.00 0.00 0.00 64.86 63.75 1bs8 h ILE 630 Cb 1.70 1.98 0.01 0.00 -0.74 0.00 0.00 36.82 39.77 1bs8 h ILE 630 CO 0.14 0.56 -0.66 1.56 0.00 0.00 0.00 178.15 179.75 1bs8 h GLN 631 N 0.11 0.38 -0.64 2.37 4.20 -1.30 -0.52 115.11 119.70 1bs8 h GLN 631 Ca -0.00 -0.46 0.13 0.00 0.06 0.00 0.00 58.65 58.37 1bs8 h GLN 631 Cb 1.03 0.14 -0.09 0.00 0.30 0.00 0.00 27.48 28.86 1bs8 h GLN 631 CO 0.08 1.14 0.15 1.25 -0.67 0.00 0.00 178.83 180.78 1bs8 h HIS 632 N -0.17 0.24 -0.03 2.96 2.76 -1.40 0.96 115.15 120.47 1bs8 h HIS 632 Ca -0.09 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 57.95 1bs8 h HIS 632 Cb 1.40 -0.01 0.01 0.00 1.55 0.00 0.00 27.41 30.36 1bs8 h HIS 632 CO 0.16 -0.04 -0.64 0.93 -1.30 0.00 0.00 177.93 177.04 1bs8 h GLU 633 N 0.28 0.49 -0.09 5.26 4.39 -1.34 -2.68 114.58 120.89 1bs8 h GLU 633 Ca 0.35 -0.48 0.02 0.00 0.34 0.00 0.00 59.36 59.59 1bs8 h GLU 633 Cb 0.53 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.31 1bs8 h GLU 633 CO -0.43 1.13 0.07 0.52 -1.16 0.00 0.00 179.01 179.13 1bs8 h MET 634 N 0.03 0.00 -0.63 2.33 2.86 -0.97 -1.39 114.93 117.15 1bs8 h MET 634 Ca -0.07 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1bs8 h MET 634 Cb 1.33 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.96 1bs8 h MET 634 CO 0.13 0.00 0.07 -0.44 1.06 0.00 0.00 176.91 177.73 1bs8 h ASP 635 N 0.00 1.01 -0.78 1.22 3.32 -0.50 -2.82 116.42 117.87 1bs8 h ASP 635 Ca 0.04 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 56.89 1bs8 h ASP 635 Cb 0.17 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 1bs8 h ASP 635 CO -0.00 1.03 0.49 0.45 -1.72 0.00 0.00 179.24 179.48 1bs8 h HIS 636 N 0.98 0.90 0.00 4.55 3.86 -0.94 -0.18 115.15 124.33 1bs8 h HIS 636 Ca 0.19 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1bs8 h HIS 636 Cb 0.46 -0.29 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 1bs8 h HIS 636 CO 0.03 0.49 -0.00 -0.07 0.86 0.00 0.00 177.93 179.24 1bs8 h LEU 637 N 0.92 0.00 -3.21 2.43 3.38 -1.37 -0.49 115.31 116.96 1bs8 h LEU 637 Ca 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 1bs8 h LEU 637 Cb 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1bs8 h LEU 637 CO -0.14 0.00 -0.00 1.33 0.09 0.00 0.00 178.44 179.72 1bs8 n VAL 638 N -3.51 2.22 -1.57 1.22 0.24 -0.93 -0.50 118.33 115.51 1bs8 n VAL 638 Ca -0.03 -1.97 -0.04 0.00 -2.04 0.00 0.00 64.34 60.26 1bs8 n VAL 638 Cb 0.08 -0.26 -0.01 0.00 -1.47 0.00 0.00 33.84 32.18 1bs8 n VAL 638 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bs8 n GLY 639 N -0.70 0.47 3.86 7.63 0.00 -0.19 -4.69 105.19 111.56 1bs8 n GLY 639 Ca 0.20 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.08 1bs8 n GLY 639 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs8 s LYS 640 N -3.22 3.33 0.20 1.61 1.02 -0.12 -4.56 119.74 118.00 1bs8 s LYS 640 Ca 0.00 -0.32 0.11 0.00 0.02 0.00 0.00 55.97 55.78 1bs8 s LYS 640 Cb 0.00 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 1bs8 s LYS 640 CO 0.00 0.69 -0.23 -0.51 -0.92 0.00 0.00 175.35 174.38 1bs8 s LEU 641 N -1.64 2.46 0.48 3.17 1.43 -1.26 -3.30 118.68 120.02 1bs8 s LEU 641 Ca 0.23 -0.89 0.19 0.00 -1.03 0.00 0.00 54.13 52.63 1bs8 s LEU 641 Cb -0.12 -1.14 1.20 0.00 0.03 0.00 0.00 46.19 46.16 1bs8 s LEU 641 CO 0.13 0.10 2.04 2.19 0.23 0.00 0.00 176.35 181.04 1bs8 h PHE 642 N 3.07 0.00 0.00 0.29 -5.15 -1.98 -0.64 116.94 112.53 1bs8 h PHE 642 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 1bs8 h PHE 642 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 1bs8 h PHE 642 CO 0.71 0.15 0.00 0.00 -2.00 0.00 0.00 178.31 177.17 1bs8 h MET 643 N 0.00 0.00 0.00 6.09 -0.00 -1.97 -2.11 114.93 116.93 1bs8 h MET 643 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1bs8 h MET 643 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1bs8 h MET 643 CO 0.02 0.00 0.00 -0.44 -0.00 0.00 0.00 176.91 176.49 1bs8 h ASP 644 N 0.00 0.00 0.33 -0.10 3.32 -1.52 -2.51 116.42 115.94 1bs8 h ASP 644 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bs8 h ASP 644 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1bs8 h ASP 644 CO 0.00 0.00 -0.41 -1.22 -1.72 0.00 0.00 179.24 175.89 1bs8 n TYR 645 N -2.54 0.00 -3.15 4.55 4.01 -0.79 -4.94 117.16 114.29 1bs8 n TYR 645 Ca -0.00 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 1bs8 n TYR 645 Cb 0.15 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1bs8 n TYR 645 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bs8 s LEU 646 N -2.74 3.51 0.77 7.72 1.43 -0.95 -5.00 118.68 123.42 1bs8 s LEU 646 Ca 0.18 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 1bs8 s LEU 646 Cb 0.18 -2.37 0.05 0.00 0.03 0.00 0.00 46.19 44.08 1bs8 s LEU 646 CO 0.62 -0.81 1.09 -0.94 0.23 0.00 0.00 176.35 176.53 1bs8 s SER 647 N -4.34 4.56 0.29 2.29 1.04 -1.26 -4.79 113.70 111.49 1bs8 s SER 647 Ca 0.54 1.82 0.05 0.00 0.48 0.00 0.00 55.95 58.83 1bs8 s SER 647 Cb -0.08 -2.52 0.75 0.00 0.10 0.00 0.00 66.02 64.28 1bs8 s SER 647 CO 0.32 -2.00 1.70 -0.65 0.98 0.00 0.00 173.24 173.59 1bs8 h PRO 648 N -1.08 0.40 0.03 4.02 0.11 -1.98 -0.52 132.00 132.97 1bs8 h PRO 648 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1bs8 h PRO 648 Cb 1.23 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1bs8 h PRO 648 CO 0.52 0.27 -0.01 1.25 -0.21 0.00 0.00 178.00 179.81 1bs8 h LEU 649 N 0.41 -0.03 -0.81 2.35 6.46 -2.01 -2.62 115.31 119.06 1bs8 h LEU 649 Ca 0.57 -0.27 0.10 0.00 -0.12 0.00 0.00 57.88 58.17 1bs8 h LEU 649 Cb 1.10 0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.96 1bs8 h LEU 649 CO -0.53 0.25 0.45 0.11 -0.62 0.00 0.00 178.44 178.10 1bs8 h LYS 650 N -0.32 0.71 -0.20 1.25 1.79 -1.71 -2.63 116.57 115.47 1bs8 h LYS 650 Ca -0.00 -0.04 -0.08 0.00 -2.18 0.00 0.00 60.65 58.34 1bs8 h LYS 650 Cb 0.30 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.77 1bs8 h LYS 650 CO 0.01 0.47 -0.22 1.96 -1.08 0.00 0.00 179.45 180.59 1bs8 h GLN 651 N 0.74 0.36 -0.26 3.15 4.20 -1.03 -2.90 115.11 119.36 1bs8 h GLN 651 Ca 0.40 -0.12 -0.11 0.00 0.06 0.00 0.00 58.65 58.89 1bs8 h GLN 651 Cb 0.42 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1bs8 h GLN 651 CO -0.27 0.57 -0.26 0.37 -0.67 0.00 0.00 178.83 178.57 1bs8 h GLN 652 N 0.33 0.64 -0.34 1.46 5.75 -1.10 -2.81 115.11 119.04 1bs8 h GLN 652 Ca 0.05 -0.34 -0.05 0.00 -0.15 0.00 0.00 58.65 58.17 1bs8 h GLN 652 Cb 0.58 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.12 1bs8 h GLN 652 CO 0.04 0.94 -0.01 0.00 -2.65 0.00 0.00 178.83 177.15 1bs8 h ARG 653 N 0.36 0.53 -0.14 1.69 3.08 -1.46 -1.04 114.38 117.40 1bs8 h ARG 653 Ca 0.04 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1bs8 h ARG 653 Cb 0.82 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 1bs8 h ARG 653 CO 0.06 0.56 -0.00 0.82 -1.07 0.00 0.00 179.97 180.35 1bs8 h ILE 654 N 0.51 1.25 -0.73 2.04 2.04 -1.50 -1.98 117.51 119.14 1bs8 h ILE 654 Ca 0.11 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1bs8 h ILE 654 Cb 0.34 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1bs8 h ILE 654 CO 0.01 0.24 0.25 -0.09 0.00 0.00 0.00 178.15 178.56 1bs8 h ARG 655 N -0.02 1.11 0.56 2.37 2.43 -1.18 -0.54 114.38 119.11 1bs8 h ARG 655 Ca 0.04 -0.22 -0.03 0.00 -0.81 0.00 0.00 59.98 58.96 1bs8 h ARG 655 Cb 0.37 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1bs8 h ARG 655 CO 0.01 0.93 -0.27 1.96 -1.51 0.00 0.00 179.97 181.09 1bs8 h GLN 656 N 1.08 -0.72 -0.70 0.20 4.20 -1.22 0.13 115.11 118.08 1bs8 h GLN 656 Ca 0.24 0.05 0.16 0.00 0.06 0.00 0.00 58.65 59.16 1bs8 h GLN 656 Cb 0.27 0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.17 1bs8 h GLN 656 CO -0.01 -0.46 0.48 0.87 -0.67 0.00 0.00 178.83 179.03 1bs8 h LYS 657 N -0.79 0.24 0.11 1.46 1.57 -1.13 0.10 116.57 118.13 1bs8 h LYS 657 Ca -0.08 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.52 1bs8 h LYS 657 Cb 0.59 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1bs8 h LYS 657 CO 0.13 0.16 -0.76 0.28 -0.57 0.00 0.00 179.45 178.68 1bs8 h VAL 658 N 0.25 1.48 -0.94 0.50 2.07 -0.80 -1.80 116.25 117.02 1bs8 h VAL 658 Ca 0.34 -2.48 0.10 0.00 0.82 0.00 0.00 66.70 65.48 1bs8 h VAL 658 Cb 0.97 3.14 -0.07 0.00 -1.52 0.00 0.00 31.29 33.82 1bs8 h VAL 658 CO -0.07 0.68 0.60 -0.33 0.02 0.00 0.00 177.57 178.47 1bs8 h GLU 659 N -0.50 0.93 -0.12 1.57 5.08 -0.26 -1.16 114.58 120.13 1bs8 h GLU 659 Ca -0.15 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1bs8 h GLU 659 Cb 1.53 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 1bs8 h GLU 659 CO 0.10 0.62 0.04 -0.22 -1.00 0.00 0.00 179.01 178.54 1bs8 h LYS 660 N 0.96 0.19 -0.26 2.33 3.11 -0.81 -2.21 116.57 119.87 1bs8 h LYS 660 Ca 0.44 -0.04 0.04 0.00 -2.81 0.00 0.00 60.65 58.28 1bs8 h LYS 660 Cb 0.39 -0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 31.52 1bs8 h LYS 660 CO -0.20 0.34 -0.53 -0.07 -2.81 0.00 0.00 179.45 176.18 1bs8 h LEU 661 N 0.00 -1.72 -0.32 5.20 4.07 -0.69 -2.72 115.31 119.13 1bs8 h LEU 661 Ca 0.04 0.22 0.00 0.00 0.08 0.00 0.00 57.88 58.22 1bs8 h LEU 661 Cb 0.23 0.69 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1bs8 h LEU 661 CO -0.00 -0.44 0.00 0.47 -1.08 0.00 0.00 178.44 177.39 1bs8 n ASP 662 N -5.41 0.30 0.30 -0.43 8.00 -0.50 -1.30 116.55 117.51 1bs8 n ASP 662 Ca -0.04 0.57 -0.13 0.00 0.71 0.00 0.00 54.79 55.90 1bs8 n ASP 662 Cb 0.36 -0.64 -0.06 0.00 -0.02 0.00 0.00 41.12 40.76 1bs8 n ASP 662 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1bs8 h ARG 663 N 0.00 -0.78 0.54 -1.24 3.08 -1.08 -2.41 114.38 112.49 1bs8 h ARG 663 Ca 0.00 0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1bs8 h ARG 663 Cb 0.30 0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.53 1bs8 h ARG 663 CO 0.00 -0.51 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.06 1bs8 h LEU 664 N -1.21 -0.62 -0.98 3.04 3.38 -1.14 0.25 115.31 118.03 1bs8 h LEU 664 Ca -0.08 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.07 1bs8 h LEU 664 Cb 0.63 0.16 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 1bs8 h LEU 664 CO 0.14 -0.44 0.59 0.11 0.09 0.00 0.00 178.44 178.92 1bs8 h LYS 665 N -0.73 0.79 -1.00 1.13 1.79 -1.38 0.71 116.57 117.88 1bs8 h LYS 665 Ca -0.07 -0.05 -0.58 0.00 -2.18 0.00 0.00 60.65 57.77 1bs8 h LYS 665 Cb 0.56 -0.18 -0.30 0.00 -1.58 0.00 0.00 32.23 30.73 1bs8 h LYS 665 CO 0.12 0.52 0.74 0.00 -1.08 0.00 0.00 179.45 179.76 1bs8 n ALA 666 N -2.35 5.89 -1.48 3.86 0.00 -0.33 -4.99 120.51 121.10 1bs8 n ALA 666 Ca 0.21 -3.12 -0.33 0.00 0.00 0.00 0.00 53.44 50.20 1bs8 n ALA 666 Cb 0.48 -1.57 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1bs8 n ALA 666 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1bs8 s ARG 667 N -3.50 2.74 0.00 0.00 6.06 0.25 -4.91 118.95 119.59 1bs8 s ARG 667 Ca 0.60 1.36 0.00 0.00 -2.50 0.00 0.00 55.73 55.19 1bs8 s ARG 667 Cb 0.49 -1.94 0.00 0.00 0.06 0.00 0.00 34.95 33.56 1bs8 s ARG 667 CO 0.06 -1.29 0.00 0.00 -2.50 0.00 0.00 175.30 171.57