#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs6 s VAL 502 N 0.00 5.00 0.33 0.44 1.01 -1.26 -4.50 120.40 121.41 1bs6 s VAL 502 Ca 0.00 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.18 1bs6 s VAL 502 Cb 0.00 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1bs6 s VAL 502 CO 0.00 0.09 0.62 -0.76 0.00 0.00 0.00 175.10 175.05 1bs6 s LEU 503 N 1.98 3.98 0.13 3.92 1.43 -1.26 -5.02 118.68 123.84 1bs6 s LEU 503 Ca 0.30 0.82 -0.30 0.00 -1.03 0.00 0.00 54.13 53.92 1bs6 s LEU 503 Cb -0.16 -3.66 -0.06 0.00 0.03 0.00 0.00 46.19 42.33 1bs6 s LEU 503 CO 0.11 -0.27 0.98 -1.58 0.23 0.00 0.00 176.35 175.81 1bs6 s GLN 504 N -3.71 4.71 -0.22 1.70 0.74 -1.26 -4.93 119.66 116.69 1bs6 s GLN 504 Ca 0.46 1.49 -0.14 0.00 0.05 0.00 0.00 55.36 57.22 1bs6 s GLN 504 Cb -0.11 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 1bs6 s GLN 504 CO 0.31 0.23 0.32 0.08 -0.55 0.00 0.00 175.29 175.69 1bs6 s VAL 505 N -0.17 5.25 0.42 1.34 1.01 -1.26 -4.48 120.40 122.51 1bs6 s VAL 505 Ca 0.46 0.54 -0.24 0.00 0.00 0.00 0.00 61.98 62.74 1bs6 s VAL 505 Cb -0.24 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1bs6 s VAL 505 CO 0.31 0.27 1.14 -0.76 0.00 0.00 0.00 175.10 176.06 1bs6 s LEU 506 N 1.29 4.11 0.26 3.92 1.43 -0.40 -4.99 118.68 124.30 1bs6 s LEU 506 Ca 0.15 2.26 0.10 0.00 -1.03 0.00 0.00 54.13 55.61 1bs6 s LEU 506 Cb -0.14 -4.14 -0.04 0.00 0.03 0.00 0.00 46.19 41.89 1bs6 s LEU 506 CO 0.07 -0.73 -0.07 -1.00 0.23 0.00 0.00 176.35 174.86 1bs6 s HIS 507 N -1.52 2.57 0.39 0.29 3.76 -1.26 -4.30 115.29 115.22 1bs6 s HIS 507 Ca 0.60 -0.25 -0.26 0.00 -0.15 0.00 0.00 55.06 54.99 1bs6 s HIS 507 Cb -0.28 -1.14 -0.09 0.00 1.11 0.00 0.00 32.58 32.18 1bs6 s HIS 507 CO 0.34 0.64 1.26 0.96 -0.85 0.00 0.00 174.74 177.10 1bs6 s ILE 508 N -2.34 2.81 -0.65 0.60 -4.36 -0.40 -1.29 121.20 115.58 1bs6 s ILE 508 Ca 0.31 0.74 -0.00 0.00 -0.26 0.00 0.00 60.65 61.43 1bs6 s ILE 508 Cb -0.06 -3.44 0.42 0.00 1.25 0.00 0.00 42.46 40.63 1bs6 s ILE 508 CO 0.18 0.11 1.83 -0.81 0.24 0.00 0.00 174.94 176.50 1bs6 n PRO 509 N 0.27 2.91 -1.87 0.37 -0.04 -1.26 -4.84 135.00 130.54 1bs6 n PRO 509 Ca 0.03 -3.59 -0.42 0.00 -0.04 0.00 0.00 63.50 59.48 1bs6 n PRO 509 Cb 0.44 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.59 1bs6 n PRO 509 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1bs6 s ASP 510 N -2.02 6.56 0.36 3.54 -1.08 -0.41 -4.87 116.67 118.74 1bs6 s ASP 510 Ca 0.58 2.53 0.27 0.00 -0.52 0.00 0.00 52.55 55.41 1bs6 s ASP 510 Cb 0.47 -2.56 1.13 0.00 -1.46 0.00 0.00 42.92 40.49 1bs6 s ASP 510 CO -0.13 -0.93 1.81 -0.33 0.52 0.00 0.00 175.17 176.11 1bs6 h GLU 511 N 8.69 0.00 0.00 4.34 5.08 -2.01 -1.72 114.58 128.96 1bs6 h GLU 511 Ca -0.44 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1bs6 h GLU 511 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1bs6 h GLU 511 CO 0.94 0.00 -0.05 0.00 -1.00 0.00 0.00 179.01 178.90 1bs6 h ARG 512 N 0.00 0.00 0.00 2.33 3.08 -1.97 -1.86 114.38 115.96 1bs6 h ARG 512 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1bs6 h ARG 512 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1bs6 h ARG 512 CO 0.00 0.05 0.00 1.28 -1.07 0.00 0.00 179.97 180.23 1bs6 n LEU 513 N -3.18 0.30 -1.01 3.04 4.32 -0.65 -2.98 117.00 116.84 1bs6 n LEU 513 Ca 0.00 0.59 0.08 0.00 -0.02 0.00 0.00 56.01 56.66 1bs6 n LEU 513 Cb 0.31 -0.57 0.25 0.00 -1.62 0.00 0.00 43.42 41.78 1bs6 n LEU 513 CO 0.28 -0.49 0.71 0.54 -1.22 0.00 0.00 177.39 177.21 1bs6 n ARG 514 N -1.85 3.13 -2.97 3.23 5.12 -0.70 -4.45 116.66 118.18 1bs6 n ARG 514 Ca 0.02 -2.53 -0.33 0.00 -1.93 0.00 0.00 57.85 53.07 1bs6 n ARG 514 Cb 0.14 -1.62 -0.07 0.00 -1.16 0.00 0.00 32.46 29.76 1bs6 n ARG 514 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1bs6 s LYS 515 N -1.73 4.15 -0.27 5.56 1.02 -1.16 -4.52 119.74 122.78 1bs6 s LYS 515 Ca 0.37 0.92 -0.11 0.00 0.02 0.00 0.00 55.97 57.18 1bs6 s LYS 515 Cb 0.25 -2.34 -0.05 0.00 -0.52 0.00 0.00 37.83 35.16 1bs6 s LYS 515 CO 0.17 0.08 0.19 0.08 -0.92 0.00 0.00 175.35 174.95 1bs6 s VAL 516 N -2.05 5.32 0.56 3.17 1.01 -1.26 -3.45 120.40 123.70 1bs6 s VAL 516 Ca 0.57 0.17 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 1bs6 s VAL 516 Cb -0.10 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1bs6 s VAL 516 CO 0.16 0.26 1.10 0.00 0.00 0.00 0.00 175.10 176.63 1bs6 s ALA 517 N 1.65 2.68 0.20 5.51 0.00 -0.22 -4.95 121.76 126.63 1bs6 s ALA 517 Ca 0.07 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.68 1bs6 s ALA 517 Cb -0.16 -3.32 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1bs6 s ALA 517 CO 0.10 -0.82 0.44 0.15 0.00 0.00 0.00 175.76 175.64 1bs6 s LYS 518 N -3.53 3.61 0.68 0.00 1.02 -0.66 -4.75 119.74 116.12 1bs6 s LYS 518 Ca 0.70 -0.10 -0.14 0.00 0.02 0.00 0.00 55.97 56.44 1bs6 s LYS 518 Cb -0.21 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.34 1bs6 s LYS 518 CO 0.30 0.37 1.12 -1.25 -0.92 0.00 0.00 175.35 174.97 1bs6 s PRO 519 N -3.09 2.63 0.13 -1.68 0.04 -1.26 -0.46 135.00 131.31 1bs6 s PRO 519 Ca 0.42 1.41 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 1bs6 s PRO 519 Cb -0.11 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1bs6 s PRO 519 CO 0.27 -1.39 1.17 0.08 0.04 0.00 0.00 177.00 177.17 1bs6 s VAL 520 N -2.37 3.85 -2.30 -0.36 1.01 -1.26 -4.73 120.40 114.23 1bs6 s VAL 520 Ca 0.67 1.46 0.19 0.00 0.00 0.00 0.00 61.98 64.30 1bs6 s VAL 520 Cb -0.21 -3.93 0.13 0.00 0.00 0.00 0.00 36.38 32.37 1bs6 s VAL 520 CO 0.44 0.19 1.08 -0.62 0.00 0.00 0.00 175.10 176.19 1bs6 n GLU 521 N 3.08 1.63 -3.46 2.72 1.02 -1.26 -4.87 120.64 119.50 1bs6 n GLU 521 Ca 0.06 -1.55 0.02 0.00 -0.02 0.00 0.00 57.16 55.67 1bs6 n GLU 521 Cb 0.46 -1.36 -0.05 0.00 -0.02 0.00 0.00 31.44 30.46 1bs6 n GLU 521 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1bs6 s GLU 522 N -1.64 0.10 -0.59 3.49 2.12 -1.26 -5.11 118.70 115.81 1bs6 s GLU 522 Ca 0.21 0.20 -0.24 0.00 0.36 0.00 0.00 54.97 55.50 1bs6 s GLU 522 Cb 0.16 0.07 0.05 0.00 0.26 0.00 0.00 34.13 34.66 1bs6 s GLU 522 CO 0.26 -0.03 0.98 0.08 -0.54 0.00 0.00 175.26 176.02 1bs6 s VAL 523 N 1.55 4.31 0.00 3.70 1.01 -1.26 -4.82 120.40 124.89 1bs6 s VAL 523 Ca -0.05 0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1bs6 s VAL 523 Cb -0.02 -4.61 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1bs6 s VAL 523 CO -0.13 -1.27 0.00 -0.46 0.00 0.00 0.00 175.10 173.24 1bs6 n ASN 524 N 7.70 0.54 0.25 3.32 0.23 -1.26 -4.81 115.26 121.23 1bs6 n ASN 524 Ca 0.01 -0.56 0.11 0.00 -0.53 0.00 0.00 54.58 53.61 1bs6 n ASN 524 Cb 0.47 0.00 0.64 0.00 -2.08 0.00 0.00 39.78 38.81 1bs6 n ASN 524 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1bs6 h ALA 525 N 1.00 1.27 -0.07 -2.53 0.00 -1.98 0.86 119.26 117.81 1bs6 h ALA 525 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1bs6 h ALA 525 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bs6 h ALA 525 CO 0.00 0.21 -0.02 1.49 0.00 0.00 0.00 179.25 180.93 1bs6 h GLU 526 N 0.00 0.14 -0.85 0.00 4.81 -1.96 -2.48 114.58 114.23 1bs6 h GLU 526 Ca -0.00 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1bs6 h GLU 526 Cb 0.43 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.74 1bs6 h GLU 526 CO 0.02 0.48 0.52 0.82 -0.73 0.00 0.00 179.01 180.13 1bs6 h ILE 527 N -0.21 1.03 0.00 2.32 1.08 -1.74 -2.45 117.51 117.54 1bs6 h ILE 527 Ca 0.02 -0.33 -0.11 0.00 -0.39 0.00 0.00 64.86 64.05 1bs6 h ILE 527 Cb 0.43 -0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.16 1bs6 h ILE 527 CO 0.01 0.17 -0.52 1.56 -0.69 0.00 0.00 178.15 178.68 1bs6 h GLN 528 N 0.95 0.00 -0.35 2.37 4.20 -0.86 -0.91 115.11 120.51 1bs6 h GLN 528 Ca 0.37 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.95 1bs6 h GLN 528 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1bs6 h GLN 528 CO -0.18 0.52 -0.30 -0.09 -0.67 0.00 0.00 178.83 178.11 1bs6 h ARG 529 N 0.00 0.83 0.11 1.46 2.43 -1.36 -1.42 114.38 116.44 1bs6 h ARG 529 Ca -0.01 -0.42 0.02 0.00 -0.81 0.00 0.00 59.98 58.76 1bs6 h ARG 529 Cb 0.93 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.46 1bs6 h ARG 529 CO 0.07 1.06 -0.22 0.82 -1.51 0.00 0.00 179.97 180.19 1bs6 h ILE 530 N 0.62 0.51 -0.52 1.20 2.04 -1.02 -0.07 117.51 120.28 1bs6 h ILE 530 Ca 0.06 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.00 1bs6 h ILE 530 Cb 0.88 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 1bs6 h ILE 530 CO 0.08 0.00 0.16 0.58 0.00 0.00 0.00 178.15 178.97 1bs6 h VAL 531 N -0.41 0.79 -0.79 1.67 2.07 -1.13 0.43 116.25 118.88 1bs6 h VAL 531 Ca 0.03 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.49 1bs6 h VAL 531 Cb 0.43 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.57 1bs6 h VAL 531 CO -0.12 0.06 0.48 0.44 0.02 0.00 0.00 177.57 178.45 1bs6 h ASP 532 N 0.33 0.76 -0.49 0.57 3.32 -0.98 -1.82 116.42 118.10 1bs6 h ASP 532 Ca 0.25 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.25 1bs6 h ASP 532 Cb 0.30 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1bs6 h ASP 532 CO -0.28 0.49 0.02 0.44 -1.72 0.00 0.00 179.24 178.20 1bs6 h ASP 533 N 0.89 0.82 -0.60 6.45 3.32 -0.27 -2.36 116.42 124.68 1bs6 h ASP 533 Ca 0.34 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1bs6 h ASP 533 Cb 0.13 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.44 1bs6 h ASP 533 CO -0.16 0.91 0.08 0.24 -1.72 0.00 0.00 179.24 178.60 1bs6 h MET 534 N 0.70 1.03 -0.02 3.56 2.86 -0.56 0.18 114.93 122.68 1bs6 h MET 534 Ca 0.14 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.52 1bs6 h MET 534 Cb 0.48 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1bs6 h MET 534 CO 0.02 0.95 -0.04 0.74 1.06 0.00 0.00 176.91 179.65 1bs6 h PHE 535 N 0.96 -0.09 -0.71 -0.22 0.04 -1.33 0.33 116.94 115.93 1bs6 h PHE 535 Ca 0.19 0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.09 1bs6 h PHE 535 Cb 0.44 0.04 -0.09 0.00 2.20 0.00 0.00 35.95 38.54 1bs6 h PHE 535 CO 0.03 -0.06 0.27 0.93 -0.60 0.00 0.00 178.31 178.88 1bs6 h GLU 536 N -0.06 0.41 -0.28 1.51 5.08 -1.07 0.89 114.58 121.06 1bs6 h GLU 536 Ca 0.02 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1bs6 h GLU 536 Cb 0.09 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1bs6 h GLU 536 CO -0.05 0.27 -0.20 1.15 -1.00 0.00 0.00 179.01 179.18 1bs6 h THR 537 N 0.42 1.30 -0.02 1.13 2.02 -0.34 -1.31 112.91 116.11 1bs6 h THR 537 Ca 0.38 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.23 1bs6 h THR 537 Cb 0.55 1.54 -0.00 0.00 -1.74 0.00 0.00 68.15 68.51 1bs6 h THR 537 CO -0.38 0.42 0.01 -0.03 0.37 0.00 0.00 175.52 175.91 1bs6 h MET 538 N 0.37 0.03 -0.39 6.66 1.85 0.12 -1.06 114.93 122.50 1bs6 h MET 538 Ca 0.06 -0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.09 1bs6 h MET 538 Cb 0.74 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 32.75 1bs6 h MET 538 CO 0.05 0.02 0.00 1.88 -0.40 0.00 0.00 176.91 178.46 1bs6 h TYR 539 N 0.03 0.65 -0.24 1.39 0.05 -0.81 -1.02 116.97 117.00 1bs6 h TYR 539 Ca 0.01 -0.07 -0.05 0.00 0.05 0.00 0.00 58.73 58.67 1bs6 h TYR 539 Cb -0.00 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 37.55 1bs6 h TYR 539 CO -0.08 0.62 -0.03 0.00 -1.05 0.00 0.00 178.16 177.62 1bs6 h ALA 540 N 1.42 0.33 -0.12 3.88 0.00 -0.99 -2.80 119.26 120.98 1bs6 h ALA 540 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bs6 h ALA 540 Cb 0.37 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1bs6 h ALA 540 CO 0.01 0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.75 1bs6 n GLU 541 N -4.60 1.45 -3.64 0.00 -0.58 -0.42 -4.95 120.64 107.89 1bs6 n GLU 541 Ca -0.04 -0.68 -0.21 0.00 -0.42 0.00 0.00 57.16 55.81 1bs6 n GLU 541 Cb 0.27 -1.32 0.04 0.00 -0.57 0.00 0.00 31.44 29.86 1bs6 n GLU 541 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1bs6 n GLU 542 N -0.08 -4.54 -3.06 3.49 1.02 -0.48 -5.04 120.64 111.95 1bs6 n GLU 542 Ca 0.14 0.64 -0.18 0.00 -0.02 0.00 0.00 57.16 57.74 1bs6 n GLU 542 Cb 0.22 -5.19 0.02 0.00 -0.02 0.00 0.00 31.44 26.47 1bs6 n GLU 542 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1bs6 s GLY 543 N -4.22 1.91 0.00 0.62 0.00 -0.66 -5.03 107.32 99.93 1bs6 s GLY 543 Ca 0.07 -1.80 0.08 0.00 0.00 0.00 0.00 44.72 43.07 1bs6 s GLY 543 CO 0.80 -1.56 0.58 0.29 0.00 0.00 0.00 173.10 173.21 1bs6 n ILE 544 N -1.94 0.00 -3.63 0.90 -5.35 -1.26 -4.70 119.36 103.38 1bs6 n ILE 544 Ca 0.10 -0.43 -0.13 0.00 -0.27 0.00 0.00 62.75 62.02 1bs6 n ILE 544 Cb 0.60 1.10 -0.06 0.00 -1.74 0.00 0.00 39.64 39.54 1bs6 n ILE 544 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1bs6 s GLY 545 N -1.10 -0.32 -0.16 3.28 0.00 -1.26 -0.06 107.32 107.69 1bs6 s GLY 545 Ca 0.07 0.35 -0.11 0.00 0.00 0.00 0.00 44.72 45.03 1bs6 s GLY 545 CO 0.19 0.08 0.41 -2.27 0.00 0.00 0.00 173.10 171.50 1bs6 s LEU 546 N -2.09 0.09 -0.01 0.66 2.96 -0.04 -4.88 118.68 115.37 1bs6 s LEU 546 Ca -0.04 0.87 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1bs6 s LEU 546 Cb -0.00 1.36 -0.04 0.00 0.50 0.00 0.00 46.19 48.01 1bs6 s LEU 546 CO -0.03 -0.18 0.04 0.00 -1.32 0.00 0.00 176.35 174.86 1bs6 s ALA 547 N 1.00 3.42 0.42 5.97 0.00 -1.26 -1.49 121.76 129.82 1bs6 s ALA 547 Ca -0.06 -0.91 0.20 0.00 0.00 0.00 0.00 51.96 51.19 1bs6 s ALA 547 Cb -0.07 -1.46 1.15 0.00 0.00 0.00 0.00 23.12 22.75 1bs6 s ALA 547 CO -0.08 0.66 1.79 0.00 0.00 0.00 0.00 175.76 178.13 1bs6 h ALA 548 N 4.28 2.32 0.00 0.00 0.00 -1.25 0.35 119.26 124.96 1bs6 h ALA 548 Ca -0.49 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1bs6 h ALA 548 Cb 1.18 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1bs6 h ALA 548 CO 0.59 -0.69 -0.00 1.79 0.00 0.00 0.00 179.25 180.94 1bs6 h THR 549 N 0.35 0.03 0.00 0.00 1.35 -1.63 -0.30 112.91 112.71 1bs6 h THR 549 Ca 0.56 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 66.30 1bs6 h THR 549 Cb 1.51 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1bs6 h THR 549 CO -0.24 0.00 -0.17 1.56 -0.25 0.00 0.00 175.52 176.43 1bs6 h GLN 550 N 0.00 0.00 -0.53 4.72 4.20 -1.20 -2.27 115.11 120.03 1bs6 h GLN 550 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1bs6 h GLN 550 Cb 0.11 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.78 1bs6 h GLN 550 CO 0.00 0.05 0.14 1.33 -0.67 0.00 0.00 178.83 179.68 1bs6 n VAL 551 N -3.07 2.69 -2.30 -0.54 0.24 -0.21 -1.28 118.33 113.86 1bs6 n VAL 551 Ca 0.03 -2.01 -0.15 0.00 -2.04 0.00 0.00 64.34 60.17 1bs6 n VAL 551 Cb 0.56 -0.33 -0.01 0.00 -1.47 0.00 0.00 33.84 32.59 1bs6 n VAL 551 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1bs6 n ASP 552 N -0.57 -4.62 -4.13 -1.34 2.03 -0.85 -4.89 116.55 102.17 1bs6 n ASP 552 Ca 0.35 -0.02 -0.33 0.00 0.52 0.00 0.00 54.79 55.31 1bs6 n ASP 552 Cb 1.19 -3.75 -0.15 0.00 -0.72 0.00 0.00 41.12 37.69 1bs6 n ASP 552 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bs6 s ILE 553 N -2.77 2.53 -1.05 5.18 1.01 -0.70 -5.01 121.20 120.41 1bs6 s ILE 553 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 60.65 59.27 1bs6 s ILE 553 Cb -0.00 -2.39 0.31 0.00 0.01 0.00 0.00 42.46 40.39 1bs6 s ILE 553 CO 0.00 0.06 1.52 1.41 0.00 0.00 0.00 174.94 177.94 1bs6 n HIS 554 N 4.56 2.41 -4.09 3.97 8.25 -1.26 -1.93 115.22 127.12 1bs6 n HIS 554 Ca -0.15 -2.64 -0.08 0.00 -0.26 0.00 0.00 57.72 54.59 1bs6 n HIS 554 Cb 0.44 -1.20 -0.10 0.00 1.12 0.00 0.00 29.99 30.25 1bs6 n HIS 554 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1bs6 s GLN 555 N -3.13 0.60 -1.30 -0.41 -0.21 -1.26 -1.65 119.66 112.31 1bs6 s GLN 555 Ca 0.33 -1.14 -0.18 0.00 0.02 0.00 0.00 55.36 54.40 1bs6 s GLN 555 Cb 0.09 0.11 0.08 0.00 1.00 0.00 0.00 33.01 34.28 1bs6 s GLN 555 CO 0.05 -0.08 1.72 0.54 -2.12 0.00 0.00 175.29 175.41 1bs6 n ARG 556 N 0.33 3.21 -4.17 2.91 1.74 0.40 -4.55 116.66 116.52 1bs6 n ARG 556 Ca -0.15 -3.31 -0.21 0.00 -0.77 0.00 0.00 57.85 53.40 1bs6 n ARG 556 Cb 0.60 -3.47 -0.16 0.00 -1.02 0.00 0.00 32.46 28.41 1bs6 n ARG 556 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bs6 s ILE 557 N 4.03 0.61 0.01 0.55 1.01 -1.26 -1.42 121.20 124.73 1bs6 s ILE 557 Ca 0.53 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.07 1bs6 s ILE 557 Cb 0.04 -0.64 -0.01 0.00 0.01 0.00 0.00 42.46 41.86 1bs6 s ILE 557 CO 0.07 0.25 -0.13 -0.63 0.00 0.00 0.00 174.94 174.50 1bs6 s ILE 558 N 1.00 1.06 0.02 2.92 1.01 -0.63 -0.91 121.20 125.67 1bs6 s ILE 558 Ca -0.10 -0.70 0.07 0.00 0.00 0.00 0.00 60.65 59.92 1bs6 s ILE 558 Cb -0.14 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1bs6 s ILE 558 CO -0.00 0.20 -0.21 0.68 0.00 0.00 0.00 174.94 175.61 1bs6 s VAL 559 N -0.48 1.65 0.02 2.92 -7.23 -0.56 -1.77 120.40 114.96 1bs6 s VAL 559 Ca 0.04 -1.08 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 1bs6 s VAL 559 Cb -0.06 -1.42 -0.02 0.00 0.56 0.00 0.00 36.38 35.45 1bs6 s VAL 559 CO 0.00 0.30 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.42 1bs6 s ILE 560 N -0.68 0.19 -0.26 -0.62 1.01 -0.82 -0.86 121.20 119.16 1bs6 s ILE 560 Ca 0.08 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.95 1bs6 s ILE 560 Cb -0.08 -0.29 0.13 0.00 0.01 0.00 0.00 42.46 42.22 1bs6 s ILE 560 CO 0.01 -0.36 0.31 -0.62 0.00 0.00 0.00 174.94 174.28 1bs6 s ASP 561 N -1.18 1.13 0.00 3.58 -1.08 0.92 -2.45 116.67 117.59 1bs6 s ASP 561 Ca -0.11 -0.38 0.23 0.00 -0.52 0.00 0.00 52.55 51.77 1bs6 s ASP 561 Cb -0.08 0.69 0.32 0.00 -1.46 0.00 0.00 42.92 42.39 1bs6 s ASP 561 CO -0.01 -0.35 1.33 1.33 0.52 0.00 0.00 175.17 177.99 1bs6 n VAL 562 N 5.33 0.30 -1.95 1.11 0.24 -1.26 -4.57 118.33 117.53 1bs6 n VAL 562 Ca -0.03 -0.65 -0.34 0.00 -2.04 0.00 0.00 64.34 61.28 1bs6 n VAL 562 Cb 0.48 1.19 0.03 0.00 -1.47 0.00 0.00 33.84 34.08 1bs6 n VAL 562 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1bs6 s SER 563 N -1.66 5.27 0.28 -1.34 1.04 -1.26 -4.96 113.70 111.07 1bs6 s SER 563 Ca 0.34 2.14 0.08 0.00 0.48 0.00 0.00 55.95 58.98 1bs6 s SER 563 Cb 0.21 -2.57 0.38 0.00 0.10 0.00 0.00 66.02 64.14 1bs6 s SER 563 CO 0.30 -1.52 1.64 -0.33 0.98 0.00 0.00 173.24 174.31 1bs6 h GLU 564 N 0.54 0.13 -0.56 4.02 5.08 -2.00 -2.91 114.58 118.88 1bs6 h GLU 564 Ca -0.48 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 57.80 1bs6 h GLU 564 Cb 1.26 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1bs6 h GLU 564 CO 0.55 0.64 0.00 0.09 -1.00 0.00 0.00 179.01 179.29 1bs6 n ASN 565 N -3.91 3.73 -3.71 1.42 3.02 -1.26 -4.96 115.26 109.58 1bs6 n ASN 565 Ca -0.02 -2.00 -0.25 0.00 -0.03 0.00 0.00 54.58 52.29 1bs6 n ASN 565 Cb 0.56 -0.37 0.05 0.00 -0.61 0.00 0.00 39.78 39.42 1bs6 n ASN 565 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1bs6 n ARG 566 N 1.59 -6.27 -0.05 3.52 5.12 -1.10 -4.88 116.66 114.59 1bs6 n ARG 566 Ca 0.22 0.70 0.02 0.00 -1.93 0.00 0.00 57.85 56.86 1bs6 n ARG 566 Cb 0.62 -5.59 0.02 0.00 -1.16 0.00 0.00 32.46 26.35 1bs6 n ARG 566 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1bs6 n ASP 567 N -2.97 1.47 -4.13 0.55 5.68 -1.26 -5.00 116.55 110.88 1bs6 n ASP 567 Ca -0.08 -1.96 -0.33 0.00 -0.50 0.00 0.00 54.79 51.91 1bs6 n ASP 567 Cb 0.59 -0.09 -0.15 0.00 -1.14 0.00 0.00 41.12 40.33 1bs6 n ASP 567 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1bs6 s GLU 568 N -1.02 2.56 -0.15 0.11 8.01 -1.26 -5.11 118.70 121.84 1bs6 s GLU 568 Ca 0.05 -1.15 -0.05 0.00 0.01 0.00 0.00 54.97 53.84 1bs6 s GLU 568 Cb 0.05 -2.91 -0.04 0.00 -4.31 0.00 0.00 34.13 26.92 1bs6 s GLU 568 CO 0.01 -0.47 0.03 1.03 0.01 0.00 0.00 175.26 175.87 1bs6 s ARG 569 N 1.22 3.63 -0.07 1.61 0.52 -1.26 -4.46 118.95 120.15 1bs6 s ARG 569 Ca -0.04 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 54.82 1bs6 s ARG 569 Cb -0.18 -3.04 0.01 0.00 0.52 0.00 0.00 34.95 32.26 1bs6 s ARG 569 CO -0.06 0.41 -0.12 -1.17 0.02 0.00 0.00 175.30 174.38 1bs6 s LEU 570 N -0.04 1.65 -0.10 2.53 2.96 -1.03 -5.04 118.68 119.61 1bs6 s LEU 570 Ca 0.05 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1bs6 s LEU 570 Cb -0.12 -0.83 -0.00 0.00 0.50 0.00 0.00 46.19 45.73 1bs6 s LEU 570 CO 0.01 0.03 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.16 1bs6 s VAL 571 N 0.66 2.19 -0.32 1.68 1.01 -1.26 -1.94 120.40 122.41 1bs6 s VAL 571 Ca -0.15 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1bs6 s VAL 571 Cb -0.16 -1.84 0.08 0.00 0.00 0.00 0.00 36.38 34.46 1bs6 s VAL 571 CO 0.04 0.56 0.03 -0.76 0.00 0.00 0.00 175.10 174.96 1bs6 s LEU 572 N 0.35 4.31 -0.19 3.92 1.43 -0.73 -4.53 118.68 123.25 1bs6 s LEU 572 Ca -0.18 -1.72 -0.11 0.00 -1.03 0.00 0.00 54.13 51.10 1bs6 s LEU 572 Cb -0.18 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 1bs6 s LEU 572 CO 0.08 -0.33 0.16 -0.63 0.23 0.00 0.00 176.35 175.86 1bs6 s ILE 573 N 1.09 5.39 -0.86 -0.59 1.01 -0.18 -1.61 121.20 125.45 1bs6 s ILE 573 Ca 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 60.65 60.92 1bs6 s ILE 573 Cb -0.20 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1bs6 s ILE 573 CO -0.05 0.44 0.72 0.59 0.00 0.00 0.00 174.94 176.64 1bs6 n ASN 574 N 3.45 -2.71 -4.77 3.58 3.02 -0.51 -0.18 115.26 117.15 1bs6 n ASN 574 Ca -0.15 -0.42 -0.40 0.00 -0.03 0.00 0.00 54.58 53.58 1bs6 n ASN 574 Cb 0.52 -3.70 -0.06 0.00 -0.61 0.00 0.00 39.78 35.94 1bs6 n ASN 574 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1bs6 s PRO 575 N -5.16 4.56 -0.05 3.52 0.04 -1.26 -4.52 135.00 132.13 1bs6 s PRO 575 Ca 0.09 1.15 0.06 0.00 0.04 0.00 0.00 61.00 62.34 1bs6 s PRO 575 Cb -0.04 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 1bs6 s PRO 575 CO 0.51 0.49 -0.22 -1.83 0.04 0.00 0.00 177.00 175.98 1bs6 s GLU 576 N -0.83 2.27 -0.27 4.56 -1.05 -0.11 -5.00 118.70 118.28 1bs6 s GLU 576 Ca 0.37 -0.81 -0.29 0.00 -0.15 0.00 0.00 54.97 54.09 1bs6 s GLU 576 Cb -0.22 -1.95 -0.00 0.00 -0.44 0.00 0.00 34.13 31.52 1bs6 s GLU 576 CO 0.26 0.34 1.28 -1.17 0.95 0.00 0.00 175.26 176.92 1bs6 s LEU 577 N -0.12 3.96 -0.05 1.83 2.96 -1.26 -1.93 118.68 124.07 1bs6 s LEU 577 Ca -0.03 1.33 -0.12 0.00 -0.22 0.00 0.00 54.13 55.09 1bs6 s LEU 577 Cb -0.13 -3.54 -0.31 0.00 0.50 0.00 0.00 46.19 42.72 1bs6 s LEU 577 CO 0.03 -0.99 0.68 -0.07 -1.32 0.00 0.00 176.35 174.68 1bs6 h LEU 578 N 10.55 0.61 -7.03 -0.68 3.38 -0.79 -3.49 115.31 117.86 1bs6 h LEU 578 Ca -0.26 -0.93 0.05 0.00 0.09 0.00 0.00 57.88 56.83 1bs6 h LEU 578 Cb 1.10 -0.20 -0.13 0.00 0.09 0.00 0.00 40.66 41.51 1bs6 h LEU 578 CO 1.02 1.77 0.35 -1.83 0.09 0.00 0.00 178.44 179.83 1bs6 s GLU 579 N -2.57 1.07 0.09 1.13 -1.05 -1.08 -4.98 118.70 111.31 1bs6 s GLU 579 Ca -0.16 -0.40 -0.05 0.00 -0.15 0.00 0.00 54.97 54.21 1bs6 s GLU 579 Cb 0.05 0.49 -0.02 0.00 -0.44 0.00 0.00 34.13 34.21 1bs6 s GLU 579 CO 0.85 -0.47 0.10 -1.59 0.95 0.00 0.00 175.26 175.10 1bs6 s LYS 580 N -3.44 0.79 0.11 -4.83 -2.85 -1.26 -0.26 119.74 107.99 1bs6 s LYS 580 Ca 0.03 -1.14 -0.25 0.00 -1.00 0.00 0.00 55.97 53.61 1bs6 s LYS 580 Cb -0.01 0.28 0.07 0.00 -2.06 0.00 0.00 37.83 36.11 1bs6 s LYS 580 CO -0.11 -0.22 0.62 -1.54 0.10 0.00 0.00 175.35 174.21 1bs6 s SER 581 N -2.92 -0.59 0.00 0.03 1.04 -0.04 -4.96 113.70 106.26 1bs6 s SER 581 Ca 0.09 0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.70 1bs6 s SER 581 Cb 0.06 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1bs6 s SER 581 CO -0.08 -0.88 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1bs6 n GLY 582 N -0.05 -0.63 3.26 7.32 0.00 -1.26 -0.78 105.19 113.04 1bs6 n GLY 582 Ca -0.17 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 1bs6 n GLY 582 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1bs6 s GLU 583 N -1.15 0.41 0.14 1.61 1.03 -1.26 -3.52 118.70 115.97 1bs6 s GLU 583 Ca 0.00 0.64 0.03 0.00 0.03 0.00 0.00 54.97 55.67 1bs6 s GLU 583 Cb 0.00 0.09 -0.01 0.00 -0.80 0.00 0.00 34.13 33.41 1bs6 s GLU 583 CO 0.00 -0.10 0.10 0.25 -1.33 0.00 0.00 175.26 174.18 1bs6 n THR 584 N 3.54 0.00 -3.65 1.83 -2.24 0.68 -4.61 114.28 109.84 1bs6 n THR 584 Ca -0.18 -1.00 -0.00 0.00 -2.27 0.00 0.00 64.05 60.59 1bs6 n THR 584 Cb 0.56 0.47 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1bs6 n THR 584 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1bs6 s GLY 585 N -1.98 0.40 0.53 3.38 0.00 -1.26 -0.36 107.32 108.03 1bs6 s GLY 585 Ca 0.15 3.56 0.03 0.00 0.00 0.00 0.00 44.72 48.45 1bs6 s GLY 585 CO 0.10 2.50 0.17 -0.26 0.00 0.00 0.00 173.10 175.61 1bs6 s ILE 586 N 0.83 1.33 -0.60 0.90 -4.36 -1.26 -4.94 121.20 113.10 1bs6 s ILE 586 Ca -0.04 -1.78 -0.26 0.00 -0.26 0.00 0.00 60.65 58.31 1bs6 s ILE 586 Cb -0.03 -2.12 0.04 0.00 1.25 0.00 0.00 42.46 41.60 1bs6 s ILE 586 CO -0.12 0.00 1.07 -1.61 0.24 0.00 0.00 174.94 174.53 1bs6 s GLU 587 N -4.06 3.33 0.25 0.37 2.02 -1.26 -3.27 118.70 116.09 1bs6 s GLU 587 Ca 0.17 -0.18 -0.10 0.00 0.02 0.00 0.00 54.97 54.87 1bs6 s GLU 587 Cb -0.00 -4.08 -0.07 0.00 0.10 0.00 0.00 34.13 30.07 1bs6 s GLU 587 CO 0.10 -1.69 0.58 -1.21 0.02 0.00 0.00 175.26 173.06 1bs6 s GLU 588 N 4.55 3.81 0.27 1.61 2.02 0.91 -4.73 118.70 127.14 1bs6 s GLU 588 Ca 0.34 0.31 0.01 0.00 0.02 0.00 0.00 54.97 55.64 1bs6 s GLU 588 Cb -0.11 -2.61 -0.00 0.00 0.10 0.00 0.00 34.13 31.51 1bs6 s GLU 588 CO 0.19 0.28 0.03 0.41 0.02 0.00 0.00 175.26 176.19 1bs6 n GLY 589 N -0.26 3.76 3.63 -1.39 0.00 -1.26 -2.16 105.19 107.51 1bs6 n GLY 589 Ca 0.01 -2.21 -0.11 0.00 0.00 0.00 0.00 46.02 43.71 1bs6 n GLY 589 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs6 h LEU 591 N 4.78 0.00 -0.78 0.00 3.38 -1.96 -2.84 115.31 117.89 1bs6 h LEU 591 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1bs6 h LEU 591 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 1bs6 h LEU 591 CO 0.09 0.00 -0.25 -1.20 0.09 0.00 0.00 178.44 177.17 1bs6 n SER 592 N -3.07 1.46 -3.46 -0.43 7.64 -1.26 -4.46 113.62 110.05 1bs6 n SER 592 Ca -0.02 -1.21 -0.26 0.00 1.01 0.00 0.00 58.87 58.39 1bs6 n SER 592 Cb 0.14 0.18 -0.09 0.00 -1.01 0.00 0.00 64.21 63.43 1bs6 n SER 592 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bs6 n ILE 593 N -0.24 0.21 -1.83 0.44 5.41 -1.07 -1.28 119.36 121.00 1bs6 n ILE 593 Ca 0.13 -4.23 -0.42 0.00 1.00 0.00 0.00 62.75 59.22 1bs6 n ILE 593 Cb 0.39 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 37.36 1bs6 n ILE 593 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1bs6 s PRO 594 N -1.08 4.12 -0.02 0.38 0.04 -1.26 -2.79 135.00 134.39 1bs6 s PRO 594 Ca 0.33 2.38 0.00 0.00 0.04 0.00 0.00 61.00 63.75 1bs6 s PRO 594 Cb 0.08 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1bs6 s PRO 594 CO -0.13 -0.95 0.00 0.39 0.04 0.00 0.00 177.00 176.35 1bs6 n GLU 595 N 7.39 -0.09 -4.50 4.56 1.02 -1.26 -4.82 120.64 122.95 1bs6 n GLU 595 Ca 0.19 0.10 -0.34 0.00 -0.02 0.00 0.00 57.16 57.09 1bs6 n GLU 595 Cb 0.42 -3.25 -0.11 0.00 -0.02 0.00 0.00 31.44 28.48 1bs6 n GLU 595 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1bs6 s GLN 596 N -0.40 3.07 -0.00 3.49 -1.52 -1.12 -5.10 119.66 118.07 1bs6 s GLN 596 Ca 0.00 -0.50 0.02 0.00 -1.95 0.00 0.00 55.36 52.93 1bs6 s GLN 596 Cb 0.00 -2.73 -0.01 0.00 -0.22 0.00 0.00 33.01 30.05 1bs6 s GLN 596 CO 0.00 0.55 -0.07 1.03 -0.25 0.00 0.00 175.29 176.55 1bs6 s ARG 597 N -0.50 0.57 0.07 2.91 0.52 -1.26 -4.45 118.95 116.81 1bs6 s ARG 597 Ca 0.08 -0.28 -0.12 0.00 -0.52 0.00 0.00 55.73 54.89 1bs6 s ARG 597 Cb -0.12 -0.54 0.01 0.00 0.52 0.00 0.00 34.95 34.82 1bs6 s ARG 597 CO 0.02 0.15 0.26 0.00 0.02 0.00 0.00 175.30 175.75 1bs6 s ALA 598 N -0.23 -0.50 0.00 2.13 0.00 -0.92 -4.89 121.76 117.35 1bs6 s ALA 598 Ca 0.02 -0.27 -0.23 0.00 0.00 0.00 0.00 51.96 51.47 1bs6 s ALA 598 Cb -0.03 0.43 -0.05 0.00 0.00 0.00 0.00 23.12 23.47 1bs6 s ALA 598 CO -0.00 -0.47 0.71 -1.17 0.00 0.00 0.00 175.76 174.82 1bs6 s LEU 599 N -2.46 4.41 -0.03 0.00 0.20 -1.25 -0.06 118.68 119.48 1bs6 s LEU 599 Ca -0.00 1.31 0.03 0.00 0.69 0.00 0.00 54.13 56.15 1bs6 s LEU 599 Cb 0.02 -3.12 0.01 0.00 -0.43 0.00 0.00 46.19 42.66 1bs6 s LEU 599 CO -0.07 0.00 -0.10 -0.69 -0.29 0.00 0.00 176.35 175.20 1bs6 s VAL 600 N 0.14 0.89 0.23 1.68 1.01 -1.20 -4.96 120.40 118.19 1bs6 s VAL 600 Ca 0.36 -0.40 -0.32 0.00 0.00 0.00 0.00 61.98 61.63 1bs6 s VAL 600 Cb -0.19 -0.80 -0.12 0.00 0.00 0.00 0.00 36.38 35.27 1bs6 s VAL 600 CO 0.20 0.28 1.70 -2.84 0.00 0.00 0.00 175.10 174.44 1bs6 s PRO 601 N 0.30 4.12 0.06 2.72 0.02 -1.26 -4.22 135.00 136.73 1bs6 s PRO 601 Ca -0.05 2.61 -0.01 0.00 0.02 0.00 0.00 61.00 63.57 1bs6 s PRO 601 Cb -0.10 -3.06 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 1bs6 s PRO 601 CO 0.01 -0.73 -0.04 1.03 -0.33 0.00 0.00 177.00 176.94 1bs6 s ARG 602 N 0.80 0.65 0.39 5.54 1.81 0.52 -4.98 118.95 123.68 1bs6 s ARG 602 Ca 0.72 -1.24 -0.26 0.00 -1.72 0.00 0.00 55.73 53.24 1bs6 s ARG 602 Cb -0.49 0.14 -0.09 0.00 -0.45 0.00 0.00 34.95 34.06 1bs6 s ARG 602 CO 0.36 -0.09 1.19 0.00 -0.68 0.00 0.00 175.30 176.07 1bs6 s ALA 603 N -3.86 3.19 0.06 2.13 0.00 -1.26 -0.23 121.76 121.78 1bs6 s ALA 603 Ca 0.08 1.01 -0.09 0.00 0.00 0.00 0.00 51.96 52.95 1bs6 s ALA 603 Cb 0.07 -3.39 -0.31 0.00 0.00 0.00 0.00 23.12 19.49 1bs6 s ALA 603 CO -0.09 -0.55 1.09 1.49 0.00 0.00 0.00 175.76 177.69 1bs6 h GLU 604 N 2.71 0.38 -5.91 0.00 4.81 -1.41 -3.42 114.58 111.74 1bs6 h GLU 604 Ca -0.49 -0.65 -0.51 0.00 -0.13 0.00 0.00 59.36 57.58 1bs6 h GLU 604 Cb 1.23 0.24 -0.19 0.00 0.63 0.00 0.00 28.75 30.66 1bs6 h GLU 604 CO 0.63 1.31 -0.79 0.15 -0.73 0.00 0.00 179.01 179.58 1bs6 s LYS 605 N -2.64 1.18 -0.19 1.92 1.02 0.04 -3.67 119.74 117.39 1bs6 s LYS 605 Ca -0.06 -1.30 -0.15 0.00 0.02 0.00 0.00 55.97 54.49 1bs6 s LYS 605 Cb 0.06 -1.27 0.06 0.00 -0.52 0.00 0.00 37.83 36.15 1bs6 s LYS 605 CO 0.91 0.27 0.50 0.08 -0.92 0.00 0.00 175.35 176.18 1bs6 s VAL 606 N -1.77 -0.01 -0.14 3.17 1.01 -0.88 -0.87 120.40 120.92 1bs6 s VAL 606 Ca 0.11 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.15 1bs6 s VAL 606 Cb -0.07 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.61 1bs6 s VAL 606 CO 0.05 0.01 -0.22 -0.75 0.00 0.00 0.00 175.10 174.20 1bs6 s LYS 607 N 0.79 3.04 0.29 2.72 2.47 0.63 -0.43 119.74 129.25 1bs6 s LYS 607 Ca -0.04 -0.85 0.07 0.00 -1.56 0.00 0.00 55.97 53.59 1bs6 s LYS 607 Cb -0.05 -2.44 -0.06 0.00 -1.46 0.00 0.00 37.83 33.82 1bs6 s LYS 607 CO -0.06 0.01 -0.07 0.96 0.16 0.00 0.00 175.35 176.35 1bs6 s ILE 608 N 0.75 1.76 -0.05 5.43 -4.36 0.70 -0.02 121.20 125.41 1bs6 s ILE 608 Ca -0.08 -2.15 0.03 0.00 -0.26 0.00 0.00 60.65 58.19 1bs6 s ILE 608 Cb -0.16 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.10 1bs6 s ILE 608 CO -0.00 -0.30 -0.15 -0.60 0.24 0.00 0.00 174.94 174.13 1bs6 s ARG 609 N -3.70 1.75 0.35 0.37 3.52 -0.81 -0.88 118.95 119.55 1bs6 s ARG 609 Ca 0.30 -0.52 -0.07 0.00 -0.13 0.00 0.00 55.73 55.31 1bs6 s ARG 609 Cb 0.03 -1.47 0.02 0.00 -1.56 0.00 0.00 34.95 31.97 1bs6 s ARG 609 CO 0.12 0.14 0.58 0.00 -0.81 0.00 0.00 175.30 175.33 1bs6 s ALA 610 N 0.32 0.21 0.01 6.12 0.00 -0.61 -0.93 121.76 126.88 1bs6 s ALA 610 Ca -0.09 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 50.65 1bs6 s ALA 610 Cb -0.13 0.99 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 1bs6 s ALA 610 CO 0.03 -0.86 0.06 -0.51 0.00 0.00 0.00 175.76 174.48 1bs6 s LEU 611 N -3.17 3.80 0.00 0.00 1.43 0.75 -0.57 118.68 120.92 1bs6 s LEU 611 Ca 0.25 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1bs6 s LEU 611 Cb -0.02 -2.25 0.00 0.00 0.03 0.00 0.00 46.19 43.95 1bs6 s LEU 611 CO 0.17 0.26 0.00 -0.90 0.23 0.00 0.00 176.35 176.11 1bs6 n ASP 612 N 1.12 0.00 0.29 2.29 5.68 -0.55 -1.01 116.55 124.36 1bs6 n ASP 612 Ca -0.13 -0.75 0.18 0.00 -0.50 0.00 0.00 54.79 53.59 1bs6 n ASP 612 Cb 0.52 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 41.32 1bs6 n ASP 612 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1bs6 h ARG 613 N 0.00 0.00 -0.67 0.11 2.43 -1.90 0.26 114.38 114.61 1bs6 h ARG 613 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1bs6 h ARG 613 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1bs6 h ARG 613 CO 0.00 0.03 0.00 -0.25 -1.51 0.00 0.00 179.97 178.24 1bs6 n ASP 614 N -3.17 3.58 -1.02 -3.80 8.00 -1.26 -4.87 116.55 114.03 1bs6 n ASP 614 Ca -0.01 -2.00 -0.13 0.00 0.71 0.00 0.00 54.79 53.36 1bs6 n ASP 614 Cb 0.25 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 1bs6 n ASP 614 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bs6 n GLY 615 N 1.57 1.40 3.71 0.44 0.00 0.08 -5.00 105.19 107.39 1bs6 n GLY 615 Ca 0.22 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 1bs6 n GLY 615 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs6 s LYS 616 N -3.12 4.42 0.37 1.61 -0.14 -1.26 -4.79 119.74 116.84 1bs6 s LYS 616 Ca 0.00 0.90 -0.26 0.00 -1.36 0.00 0.00 55.97 55.25 1bs6 s LYS 616 Cb 0.00 -3.46 -0.09 0.00 -1.68 0.00 0.00 37.83 32.60 1bs6 s LYS 616 CO 0.00 0.02 1.12 -1.25 -0.76 0.00 0.00 175.35 174.48 1bs6 s PRO 617 N 0.95 4.25 0.06 -1.68 0.04 -1.26 -1.49 135.00 135.87 1bs6 s PRO 617 Ca 0.38 1.74 -0.06 0.00 0.04 0.00 0.00 61.00 63.10 1bs6 s PRO 617 Cb -0.18 -2.78 -0.01 0.00 0.04 0.00 0.00 34.50 31.57 1bs6 s PRO 617 CO 0.18 -0.12 0.10 -0.59 0.04 0.00 0.00 177.00 176.61 1bs6 s PHE 618 N -1.41 0.26 0.07 0.56 -0.71 0.26 -4.92 117.98 112.08 1bs6 s PHE 618 Ca 0.54 -0.67 0.04 0.00 -1.04 0.00 0.00 56.93 55.80 1bs6 s PHE 618 Cb -0.29 -0.17 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 1bs6 s PHE 618 CO 0.36 -0.44 -0.02 -1.21 -1.34 0.00 0.00 175.22 172.58 1bs6 s GLU 619 N -3.39 2.54 -0.11 1.99 2.02 -1.26 -1.58 118.70 118.90 1bs6 s GLU 619 Ca 0.02 -0.81 -0.04 0.00 0.02 0.00 0.00 54.97 54.15 1bs6 s GLU 619 Cb 0.03 -2.53 0.06 0.00 0.10 0.00 0.00 34.13 31.79 1bs6 s GLU 619 CO -0.08 0.56 0.22 -1.17 0.02 0.00 0.00 175.26 174.81 1bs6 s LEU 620 N -2.10 -0.17 -0.23 1.80 2.96 -0.06 -5.00 118.68 115.88 1bs6 s LEU 620 Ca 0.23 0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 54.54 1bs6 s LEU 620 Cb -0.12 0.55 -0.05 0.00 0.50 0.00 0.00 46.19 47.08 1bs6 s LEU 620 CO 0.16 -0.24 0.13 -0.70 -1.32 0.00 0.00 176.35 174.38 1bs6 s GLU 621 N 2.30 4.01 0.07 1.98 2.12 -1.26 -0.21 118.70 127.71 1bs6 s GLU 621 Ca 0.01 -0.30 0.05 0.00 0.36 0.00 0.00 54.97 55.09 1bs6 s GLU 621 Cb -0.12 -3.46 -0.03 0.00 0.26 0.00 0.00 34.13 30.78 1bs6 s GLU 621 CO -0.07 0.07 -0.15 0.00 -0.54 0.00 0.00 175.26 174.57 1bs6 s ALA 622 N 1.00 1.25 0.00 6.30 0.00 0.43 -5.01 121.76 125.73 1bs6 s ALA 622 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.01 1bs6 s ALA 622 Cb -0.13 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.86 1bs6 s ALA 622 CO 0.04 0.19 0.00 -0.40 0.00 0.00 0.00 175.76 175.59 1bs6 n ASP 623 N 1.32 0.00 0.00 0.00 5.68 -1.26 -2.08 116.55 120.21 1bs6 n ASP 623 Ca -0.21 -0.92 0.00 0.00 -0.50 0.00 0.00 54.79 53.16 1bs6 n ASP 623 Cb 0.54 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.52 1bs6 n ASP 623 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1bs6 n GLY 624 N 0.00 1.61 0.36 6.12 0.00 -1.24 -2.67 105.19 109.37 1bs6 n GLY 624 Ca 0.00 -0.53 0.04 0.00 0.00 0.00 0.00 46.02 45.53 1bs6 n GLY 624 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1bs6 h LEU 625 N 0.00 0.98 -0.36 0.99 6.46 -1.99 -2.65 115.31 118.74 1bs6 h LEU 625 Ca 0.00 0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 1bs6 h LEU 625 Cb 0.00 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 39.72 1bs6 h LEU 625 CO 0.00 0.59 0.20 0.25 -0.62 0.00 0.00 178.44 178.87 1bs6 h LEU 626 N 1.10 0.32 -0.42 2.25 6.46 -1.92 -1.14 115.31 121.96 1bs6 h LEU 626 Ca 0.45 0.01 0.03 0.00 -0.12 0.00 0.00 57.88 58.24 1bs6 h LEU 626 Cb 0.27 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.11 1bs6 h LEU 626 CO -0.20 0.24 0.23 0.00 -0.62 0.00 0.00 178.44 178.08 1bs6 h ALA 627 N 1.16 0.53 -0.52 1.25 0.00 -1.25 -0.76 119.26 119.68 1bs6 h ALA 627 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1bs6 h ALA 627 Cb 0.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1bs6 h ALA 627 CO -0.07 -0.11 0.24 0.82 0.00 0.00 0.00 179.25 180.13 1bs6 h ILE 628 N 0.47 1.18 0.07 0.00 2.04 -1.30 -2.35 117.51 117.61 1bs6 h ILE 628 Ca 0.18 -0.52 -0.29 0.00 1.00 0.00 0.00 64.86 65.23 1bs6 h ILE 628 Cb 0.05 0.53 0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1bs6 h ILE 628 CO -0.10 0.21 -1.17 0.00 0.00 0.00 0.00 178.15 177.09 1bs6 h ILE 630 N 0.32 1.17 -0.27 0.00 2.04 -1.08 -0.68 117.51 119.01 1bs6 h ILE 630 Ca -0.16 -0.38 -0.18 0.00 1.00 0.00 0.00 64.86 65.14 1bs6 h ILE 630 Cb 1.83 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1bs6 h ILE 630 CO 0.22 0.20 -0.52 1.56 0.00 0.00 0.00 178.15 179.61 1bs6 h GLN 631 N 1.11 0.83 -0.64 2.37 4.20 -1.19 -1.46 115.11 120.33 1bs6 h GLN 631 Ca 0.33 -0.53 0.05 0.00 0.06 0.00 0.00 58.65 58.56 1bs6 h GLN 631 Cb -0.06 0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.74 1bs6 h GLN 631 CO -0.10 1.16 0.36 1.25 -0.67 0.00 0.00 178.83 180.84 1bs6 h HIS 632 N 0.59 0.67 -0.19 2.96 2.76 -0.71 -2.11 115.15 119.12 1bs6 h HIS 632 Ca 0.01 0.02 -0.19 0.00 -2.20 0.00 0.00 60.37 58.01 1bs6 h HIS 632 Cb 1.13 -0.21 0.01 0.00 1.55 0.00 0.00 27.41 29.89 1bs6 h HIS 632 CO 0.08 0.34 -0.62 0.93 -1.30 0.00 0.00 177.93 177.36 1bs6 h GLU 633 N 0.68 0.76 0.00 5.26 4.39 -0.98 -2.76 114.58 121.92 1bs6 h GLU 633 Ca 0.28 -0.56 -0.04 0.00 0.34 0.00 0.00 59.36 59.39 1bs6 h GLU 633 Cb 0.14 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 1bs6 h GLU 633 CO -0.16 1.18 -0.17 0.52 -1.16 0.00 0.00 179.01 179.21 1bs6 h MET 634 N 0.48 0.00 -0.74 2.33 2.86 -1.26 -0.79 114.93 117.81 1bs6 h MET 634 Ca -0.02 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1bs6 h MET 634 Cb 1.24 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.85 1bs6 h MET 634 CO 0.13 0.17 0.46 -0.44 1.06 0.00 0.00 176.91 178.29 1bs6 h ASP 635 N 0.00 0.75 -0.99 1.22 5.19 -1.09 -2.61 116.42 118.88 1bs6 h ASP 635 Ca -0.00 0.00 0.17 0.00 -0.62 0.00 0.00 57.03 56.58 1bs6 h ASP 635 Cb 0.33 -0.16 -0.09 0.00 0.18 0.00 0.00 39.33 39.59 1bs6 h ASP 635 CO 0.02 0.51 0.62 0.45 -3.12 0.00 0.00 179.24 177.72 1bs6 h HIS 636 N 0.89 1.03 0.00 4.55 3.86 -0.99 -1.44 115.15 123.05 1bs6 h HIS 636 Ca 0.30 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.54 1bs6 h HIS 636 Cb 0.05 -0.32 0.00 0.00 1.06 0.00 0.00 27.41 28.20 1bs6 h HIS 636 CO -0.04 0.30 0.00 1.28 0.86 0.00 0.00 177.93 180.33 1bs6 n LEU 637 N -4.68 0.62 -0.11 2.43 4.77 -0.98 -0.88 117.00 118.17 1bs6 n LEU 637 Ca 0.21 0.69 0.10 0.00 -0.03 0.00 0.00 56.01 56.98 1bs6 n LEU 637 Cb 0.51 -0.64 0.14 0.00 -2.33 0.00 0.00 43.42 41.09 1bs6 n LEU 637 CO 0.25 -0.66 0.55 1.33 -1.33 0.00 0.00 177.39 177.53 1bs6 n VAL 638 N -2.23 1.87 -1.22 4.08 0.24 -0.79 -1.06 118.33 119.22 1bs6 n VAL 638 Ca 0.01 -2.27 -0.06 0.00 -2.04 0.00 0.00 64.34 59.98 1bs6 n VAL 638 Cb 0.17 -0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 32.30 1bs6 n VAL 638 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1bs6 n GLY 639 N -1.39 0.79 3.89 7.63 0.00 -0.06 -4.73 105.19 111.31 1bs6 n GLY 639 Ca 0.16 -0.79 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 1bs6 n GLY 639 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs6 s LYS 640 N -2.58 3.53 0.30 1.61 1.02 -0.61 -4.54 119.74 118.47 1bs6 s LYS 640 Ca 0.00 -0.12 0.10 0.00 0.02 0.00 0.00 55.97 55.97 1bs6 s LYS 640 Cb 0.00 -3.11 -0.05 0.00 -0.52 0.00 0.00 37.83 34.15 1bs6 s LYS 640 CO 0.00 0.68 -0.10 -0.51 -0.92 0.00 0.00 175.35 174.50 1bs6 s LEU 641 N -1.63 2.82 0.49 3.17 1.43 -1.26 -3.41 118.68 120.27 1bs6 s LEU 641 Ca 0.25 -0.97 0.27 0.00 -1.03 0.00 0.00 54.13 52.65 1bs6 s LEU 641 Cb -0.13 -1.26 1.17 0.00 0.03 0.00 0.00 46.19 46.00 1bs6 s LEU 641 CO 0.14 -0.07 1.93 2.19 0.23 0.00 0.00 176.35 180.78 1bs6 h PHE 642 N 2.06 0.00 0.00 0.29 -5.15 -1.98 -1.91 116.94 110.24 1bs6 h PHE 642 Ca -0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 1bs6 h PHE 642 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.42 1bs6 h PHE 642 CO 0.76 0.16 0.00 0.00 -2.00 0.00 0.00 178.31 177.22 1bs6 h MET 643 N 0.00 0.00 0.00 6.09 -0.00 -1.98 -2.01 114.93 117.03 1bs6 h MET 643 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1bs6 h MET 643 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.18 1bs6 h MET 643 CO 0.02 0.00 -0.00 -0.44 -0.00 0.00 0.00 176.91 176.49 1bs6 h ASP 644 N 0.00 0.00 0.64 -0.10 3.32 -1.75 -2.23 116.42 116.30 1bs6 h ASP 644 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1bs6 h ASP 644 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 1bs6 h ASP 644 CO 0.00 0.00 -0.26 -1.22 -1.72 0.00 0.00 179.24 176.04 1bs6 n TYR 645 N -3.09 0.00 -2.88 4.55 4.01 -0.76 -4.94 117.16 114.05 1bs6 n TYR 645 Ca -0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.54 1bs6 n TYR 645 Cb 0.20 -0.32 0.03 0.00 -0.31 0.00 0.00 39.34 38.94 1bs6 n TYR 645 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1bs6 s LEU 646 N -2.91 3.43 0.62 7.72 1.43 -0.84 -5.03 118.68 123.10 1bs6 s LEU 646 Ca 0.15 -0.36 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 1bs6 s LEU 646 Cb 0.18 -2.53 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1bs6 s LEU 646 CO 0.60 -1.02 1.09 -0.94 0.23 0.00 0.00 176.35 176.31 1bs6 s SER 647 N -4.44 5.44 0.31 2.29 1.04 -1.26 -4.81 113.70 112.26 1bs6 s SER 647 Ca 0.57 1.92 0.08 0.00 0.48 0.00 0.00 55.95 59.01 1bs6 s SER 647 Cb -0.09 -2.54 0.88 0.00 0.10 0.00 0.00 66.02 64.36 1bs6 s SER 647 CO 0.36 -1.40 1.69 -0.65 0.98 0.00 0.00 173.24 174.22 1bs6 h PRO 648 N 0.26 0.41 -0.16 4.02 0.11 -1.97 -0.55 132.00 134.11 1bs6 h PRO 648 Ca -0.47 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 1bs6 h PRO 648 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1bs6 h PRO 648 CO 0.56 0.27 -0.72 1.25 -0.21 0.00 0.00 178.00 179.15 1bs6 h LEU 649 N 0.42 0.84 -1.00 2.35 7.12 -2.01 -2.66 115.31 120.37 1bs6 h LEU 649 Ca 0.64 -0.53 -0.03 0.00 0.13 0.00 0.00 57.88 58.09 1bs6 h LEU 649 Cb 1.29 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 41.14 1bs6 h LEU 649 CO -0.54 1.31 0.35 0.11 -0.13 0.00 0.00 178.44 179.54 1bs6 h LYS 650 N 0.50 1.06 -0.16 1.25 1.79 -1.61 -2.99 116.57 116.40 1bs6 h LYS 650 Ca -0.04 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.19 1bs6 h LYS 650 Cb 1.33 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.78 1bs6 h LYS 650 CO 0.14 0.82 -0.30 1.96 -1.08 0.00 0.00 179.45 181.00 1bs6 h GLN 651 N 1.05 0.32 -0.18 3.15 4.20 -1.00 -2.98 115.11 119.67 1bs6 h GLN 651 Ca 0.25 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1bs6 h GLN 651 Cb 0.12 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1bs6 h GLN 651 CO -0.03 0.59 -0.05 0.37 -0.67 0.00 0.00 178.83 179.04 1bs6 h GLN 652 N 0.28 0.35 -0.27 1.46 5.75 -1.33 -2.97 115.11 118.38 1bs6 h GLN 652 Ca 0.04 -0.14 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1bs6 h GLN 652 Cb 0.67 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 1bs6 h GLN 652 CO 0.05 0.62 0.14 0.00 -2.65 0.00 0.00 178.83 176.99 1bs6 h ARG 653 N 0.06 0.37 -0.07 1.69 3.08 -1.56 -1.60 114.38 116.35 1bs6 h ARG 653 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1bs6 h ARG 653 Cb 0.49 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1bs6 h ARG 653 CO 0.02 0.29 -0.02 0.82 -1.07 0.00 0.00 179.97 180.01 1bs6 h ILE 654 N 0.38 1.30 -0.81 2.04 2.04 -1.46 -1.68 117.51 119.31 1bs6 h ILE 654 Ca 0.10 -0.94 -0.03 0.00 1.00 0.00 0.00 64.86 65.00 1bs6 h ILE 654 Cb 0.03 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1bs6 h ILE 654 CO -0.02 0.26 0.41 -0.09 0.00 0.00 0.00 178.15 178.71 1bs6 h ARG 655 N -0.20 1.16 -0.03 2.37 9.65 -1.32 -0.86 114.38 125.16 1bs6 h ARG 655 Ca 0.02 -0.16 -0.09 0.00 -1.10 0.00 0.00 59.98 58.65 1bs6 h ARG 655 Cb 0.42 -0.21 0.01 0.00 -1.39 0.00 0.00 29.97 28.79 1bs6 h ARG 655 CO 0.01 0.88 -0.34 -0.56 2.80 0.00 0.00 179.97 182.76 1bs6 h GLN 656 N 1.15 0.28 -1.24 0.20 3.07 -1.37 0.92 115.11 118.13 1bs6 h GLN 656 Ca 0.28 -0.27 0.38 0.00 0.09 0.00 0.00 58.65 59.14 1bs6 h GLN 656 Cb 0.09 0.07 -0.11 0.00 0.08 0.00 0.00 27.48 27.61 1bs6 h GLN 656 CO -0.04 0.95 0.80 0.87 0.09 0.00 0.00 178.83 181.50 1bs6 h LYS 657 N -0.29 0.17 0.19 0.06 1.57 -1.28 -0.23 116.57 116.77 1bs6 h LYS 657 Ca -0.04 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.41 1bs6 h LYS 657 Cb 1.05 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 33.33 1bs6 h LYS 657 CO 0.07 0.11 -1.55 0.28 -0.57 0.00 0.00 179.45 177.80 1bs6 h VAL 658 N 0.18 1.09 -0.57 0.50 2.07 -0.73 -2.75 116.25 116.04 1bs6 h VAL 658 Ca 0.74 -2.54 -0.09 0.00 0.82 0.00 0.00 66.70 65.62 1bs6 h VAL 658 Cb 2.24 2.87 -0.02 0.00 -1.52 0.00 0.00 31.29 34.86 1bs6 h VAL 658 CO -0.35 0.81 -0.01 -0.33 0.02 0.00 0.00 177.57 177.70 1bs6 h GLU 659 N 0.01 1.00 -0.05 1.57 5.08 0.84 -0.50 114.58 122.52 1bs6 h GLU 659 Ca -0.30 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 57.75 1bs6 h GLU 659 Cb 2.02 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.18 1bs6 h GLU 659 CO 0.18 0.98 0.03 -0.22 -1.00 0.00 0.00 179.01 178.98 1bs6 h LYS 660 N 0.91 0.07 -0.23 2.33 3.64 -1.31 -2.12 116.57 119.86 1bs6 h LYS 660 Ca 0.16 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.59 1bs6 h LYS 660 Cb 0.55 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 32.28 1bs6 h LYS 660 CO 0.03 0.13 -0.25 1.25 -2.27 0.00 0.00 179.45 178.35 1bs6 h LEU 661 N -0.01 -0.79 -0.35 5.20 6.46 -1.12 0.52 115.31 125.21 1bs6 h LEU 661 Ca 0.02 0.14 0.00 0.00 -0.12 0.00 0.00 57.88 57.92 1bs6 h LEU 661 Cb 0.08 0.37 0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1bs6 h LEU 661 CO -0.00 -0.29 0.00 0.47 -0.62 0.00 0.00 178.44 178.00 1bs6 n ASP 662 N -5.38 0.29 0.00 1.25 8.00 -0.24 0.49 116.55 120.96 1bs6 n ASP 662 Ca -0.01 0.58 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1bs6 n ASP 662 Cb 0.29 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1bs6 n ASP 662 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1bs6 n ARG 663 N -1.83 0.00 -0.36 -1.24 3.00 0.14 -2.38 116.66 113.99 1bs6 n ARG 663 Ca 0.02 0.30 0.30 0.00 -0.01 0.00 0.00 57.85 58.45 1bs6 n ARG 663 Cb 0.17 -0.77 0.56 0.00 0.00 0.00 0.00 32.46 32.42 1bs6 n ARG 663 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1bs6 h LEU 664 N 0.00 0.39 0.00 0.55 -0.00 0.28 -1.74 115.31 114.78 1bs6 h LEU 664 Ca 0.00 0.20 0.00 0.00 -0.00 0.00 0.00 57.88 58.08 1bs6 h LEU 664 Cb 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1bs6 h LEU 664 CO 0.00 -0.24 0.00 0.29 -0.00 0.00 0.00 178.44 178.49 1bs6 n LYS 665 N -5.02 0.00 -1.50 1.13 5.02 0.18 -4.65 118.16 113.32 1bs6 n LYS 665 Ca 0.35 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.22 1bs6 n LYS 665 Cb 1.19 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 36.12 1bs6 n LYS 665 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1bs6 n ALA 666 N -3.00 0.69 -2.52 7.82 0.00 -0.66 -4.92 120.51 117.92 1bs6 n ALA 666 Ca 0.00 -0.49 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 1bs6 n ALA 666 Cb 0.00 -2.72 -0.15 0.00 0.00 0.00 0.00 19.45 16.58 1bs6 n ALA 666 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1bs6 s ARG 667 N 8.01 1.31 0.00 0.00 6.06 -1.20 -4.15 118.95 128.98 1bs6 s ARG 667 Ca 1.14 -0.71 0.00 0.00 -2.50 0.00 0.00 55.73 53.67 1bs6 s ARG 667 Cb -0.72 -1.31 0.00 0.00 0.06 0.00 0.00 34.95 32.98 1bs6 s ARG 667 CO 0.40 0.35 0.00 0.00 -2.50 0.00 0.00 175.30 173.55