#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1np8 n GLU 512 N 0.00 1.01 0.33 1.43 1.02 -1.26 -3.12 120.64 120.05 1np8 n GLU 512 Ca 0.00 -0.01 0.22 0.00 -0.02 0.00 0.00 57.16 57.35 1np8 n GLU 512 Cb 0.00 -1.46 1.11 0.00 -0.02 0.00 0.00 31.44 31.06 1np8 n GLU 512 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1np8 h GLU 513 N 0.02 0.00 0.03 3.49 5.08 -2.05 1.21 114.58 122.36 1np8 h GLU 513 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1np8 h GLU 513 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1np8 h GLU 513 CO 0.00 0.00 -0.98 0.93 -1.00 0.00 0.00 179.01 177.97 1np8 h GLU 514 N 0.00 0.16 -0.06 2.33 5.08 -1.98 -0.89 114.58 119.23 1np8 h GLU 514 Ca -0.00 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.01 1np8 h GLU 514 Cb 0.11 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1np8 h GLU 514 CO 0.00 1.01 -0.57 -0.09 -1.00 0.00 0.00 179.01 178.36 1np8 h ARG 515 N 0.07 0.19 -0.36 2.33 1.12 0.92 -2.28 114.38 116.37 1np8 h ARG 515 Ca -0.05 -0.12 -0.16 0.00 -1.11 0.00 0.00 59.98 58.53 1np8 h ARG 515 Cb 1.66 0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 31.63 1np8 h ARG 515 CO 0.15 0.71 -0.40 1.96 -3.11 0.00 0.00 179.97 179.28 1np8 h GLN 516 N 0.15 0.90 -0.26 0.20 1.08 0.51 -2.92 115.11 114.76 1np8 h GLN 516 Ca -0.00 -0.48 -0.10 0.00 -1.45 0.00 0.00 58.65 56.62 1np8 h GLN 516 Cb 1.05 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 1np8 h GLN 516 CO 0.09 1.12 -0.28 0.35 -0.95 0.00 0.00 178.83 179.16 1np8 h PHE 517 N 0.73 0.58 -0.57 2.96 3.57 -0.96 -2.01 116.94 121.24 1np8 h PHE 517 Ca 0.06 -0.13 -0.07 0.00 3.53 0.00 0.00 57.97 61.36 1np8 h PHE 517 Cb 0.99 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1np8 h PHE 517 CO 0.06 0.74 0.08 0.00 -2.23 0.00 0.00 178.31 176.96 1np8 h ARG 518 N 0.45 0.94 -0.76 1.11 3.08 -1.34 0.36 114.38 118.22 1np8 h ARG 518 Ca 0.06 -0.26 -0.04 0.00 0.07 0.00 0.00 59.98 59.81 1np8 h ARG 518 Cb 0.71 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.62 1np8 h ARG 518 CO 0.05 0.91 0.31 -0.22 -1.07 0.00 0.00 179.97 179.96 1np8 h LYS 519 N 0.84 1.13 0.39 0.04 3.64 -1.31 -1.14 116.57 120.15 1np8 h LYS 519 Ca 0.17 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1np8 h LYS 519 Cb 0.43 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1np8 h LYS 519 CO 0.01 0.92 -0.19 1.25 -2.27 0.00 0.00 179.45 179.17 1np8 h LEU 520 N 1.10 -0.44 -0.28 5.20 5.85 -0.95 -1.23 115.31 124.56 1np8 h LEU 520 Ca 0.26 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.04 1np8 h LEU 520 Cb 0.20 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 1np8 h LEU 520 CO -0.02 -0.31 -0.09 0.15 -0.34 0.00 0.00 178.44 177.82 1np8 h PHE 521 N -0.53 -0.21 -0.63 1.25 3.57 -0.66 -0.06 116.94 119.68 1np8 h PHE 521 Ca -0.05 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1np8 h PHE 521 Cb 0.41 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1np8 h PHE 521 CO -0.05 -0.15 0.35 0.28 -2.23 0.00 0.00 178.31 176.51 1np8 h VAL 522 N -0.03 1.20 -0.32 1.41 2.07 -1.12 0.16 116.25 119.60 1np8 h VAL 522 Ca 0.14 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1np8 h VAL 522 Cb 0.24 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1np8 h VAL 522 CO -0.30 0.21 0.05 -0.61 0.02 0.00 0.00 177.57 176.93 1np8 h GLN 523 N 0.85 0.54 -0.19 1.57 4.15 -0.91 -2.79 115.11 118.32 1np8 h GLN 523 Ca 0.22 -0.15 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 1np8 h GLN 523 Cb 0.03 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.66 1np8 h GLN 523 CO -0.04 0.63 -0.32 1.25 -1.93 0.00 0.00 178.83 178.43 1np8 h LEU 524 N 0.36 0.62 -1.33 -2.39 5.85 -0.83 -3.30 115.31 114.29 1np8 h LEU 524 Ca 0.10 -0.53 -0.05 0.00 0.84 0.00 0.00 57.88 58.23 1np8 h LEU 524 Cb 0.36 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1np8 h LEU 524 CO 0.01 1.03 -0.14 0.00 -0.34 0.00 0.00 178.44 179.00 1np8 h ALA 525 N 0.61 1.45 -0.83 1.25 0.00 -0.73 -3.47 119.26 117.54 1np8 h ALA 525 Ca 0.02 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1np8 h ALA 525 Cb 0.90 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1np8 h ALA 525 CO 0.07 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1np8 n GLY 526 N -0.81 0.71 0.28 0.00 0.00 -1.06 -3.86 105.19 100.45 1np8 n GLY 526 Ca -0.00 -0.76 0.01 0.00 0.00 0.00 0.00 46.02 45.27 1np8 n GLY 526 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1np8 n ASP 527 N -2.36 -0.41 -0.14 1.61 10.43 -1.26 -1.75 116.55 122.66 1np8 n ASP 527 Ca 0.00 1.30 0.13 0.00 2.57 0.00 0.00 54.79 58.80 1np8 n ASP 527 Cb 0.00 -0.33 0.48 0.00 1.84 0.00 0.00 41.12 43.11 1np8 n ASP 527 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1np8 n ASP 528 N -5.15 0.64 -0.37 -2.24 5.68 -1.26 -4.95 116.55 108.91 1np8 n ASP 528 Ca 0.09 -0.58 -0.05 0.00 -0.50 0.00 0.00 54.79 53.76 1np8 n ASP 528 Cb 0.33 0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1np8 n ASP 528 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1np8 n MET 529 N -0.95 -0.79 -4.14 0.11 2.81 -0.72 -4.99 117.12 108.45 1np8 n MET 529 Ca 0.12 0.54 -0.13 0.00 -1.81 0.00 0.00 57.70 56.41 1np8 n MET 529 Cb 0.31 -4.34 -0.11 0.00 -0.71 0.00 0.00 33.22 28.38 1np8 n MET 529 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1np8 s GLU 530 N -1.87 0.75 -0.33 0.03 2.02 -1.26 -4.57 118.70 113.47 1np8 s GLU 530 Ca 0.00 -1.07 -0.15 0.00 0.02 0.00 0.00 54.97 53.77 1np8 s GLU 530 Cb 0.00 -0.41 -0.02 0.00 0.10 0.00 0.00 34.13 33.80 1np8 s GLU 530 CO 0.00 0.06 0.37 0.08 0.02 0.00 0.00 175.26 175.79 1np8 s VAL 531 N -2.31 5.16 0.88 2.63 1.01 0.97 -4.54 120.40 124.20 1np8 s VAL 531 Ca 0.02 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.06 1np8 s VAL 531 Cb -0.04 -3.80 0.17 0.00 0.00 0.00 0.00 36.38 32.72 1np8 s VAL 531 CO -0.01 -0.04 1.22 -0.94 0.00 0.00 0.00 175.10 175.33 1np8 s SER 532 N 1.72 3.58 0.34 3.32 1.04 -1.26 -0.07 113.70 122.37 1np8 s SER 532 Ca 0.13 0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.76 1np8 s SER 532 Cb -0.16 -0.33 0.61 0.00 0.10 0.00 0.00 66.02 66.24 1np8 s SER 532 CO 0.11 -2.42 1.86 0.00 0.98 0.00 0.00 173.24 173.78 1np8 h ALA 533 N -1.29 1.36 -0.06 5.32 0.00 -1.88 -0.93 119.26 121.79 1np8 h ALA 533 Ca -0.42 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 1np8 h ALA 533 Cb 1.25 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1np8 h ALA 533 CO 0.41 0.44 -0.00 1.15 0.00 0.00 0.00 179.25 181.25 1np8 h THR 534 N 0.44 1.25 -0.59 0.00 2.02 -1.93 0.12 112.91 114.23 1np8 h THR 534 Ca 0.09 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.45 1np8 h THR 534 Cb 0.38 1.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 1np8 h THR 534 CO 0.02 0.21 0.19 -0.33 0.37 0.00 0.00 175.52 175.98 1np8 h GLU 535 N -0.18 0.88 -0.46 6.66 5.08 -1.86 -0.22 114.58 124.48 1np8 h GLU 535 Ca 0.02 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1np8 h GLU 535 Cb 0.34 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1np8 h GLU 535 CO 0.00 0.75 0.18 1.25 -1.00 0.00 0.00 179.01 180.20 1np8 h LEU 536 N 0.85 0.63 -0.72 1.33 5.85 -1.01 -1.62 115.31 120.63 1np8 h LEU 536 Ca 0.19 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1np8 h LEU 536 Cb 0.24 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1np8 h LEU 536 CO -0.01 0.63 0.42 -0.03 -0.34 0.00 0.00 178.44 179.12 1np8 h MET 537 N 0.60 0.77 0.18 1.25 4.05 0.04 -0.71 114.93 121.10 1np8 h MET 537 Ca 0.15 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1np8 h MET 537 Cb 0.20 -0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 30.80 1np8 h MET 537 CO -0.01 0.51 -0.23 -0.97 0.23 0.00 0.00 176.91 176.43 1np8 h ASN 538 N 0.79 -0.64 -0.38 1.39 -1.24 -0.44 -0.74 115.58 114.33 1np8 h ASN 538 Ca 0.31 0.07 -0.06 0.00 0.71 0.00 0.00 56.30 57.33 1np8 h ASN 538 Cb 0.14 0.23 -0.02 0.00 0.73 0.00 0.00 38.32 39.40 1np8 h ASN 538 CO -0.16 -0.33 0.04 -0.29 -1.29 0.00 0.00 177.43 175.40 1np8 h ILE 539 N -0.47 1.22 -0.32 2.57 6.09 -1.00 -1.81 117.51 123.80 1np8 h ILE 539 Ca 0.01 -0.88 -0.15 0.00 -1.37 0.00 0.00 64.86 62.47 1np8 h ILE 539 Cb 0.46 0.83 -0.01 0.00 0.47 0.00 0.00 36.82 38.57 1np8 h ILE 539 CO -0.09 0.31 -0.39 -0.07 -3.07 0.00 0.00 178.15 174.84 1np8 h LEU 540 N 0.69 0.83 -0.98 2.19 3.38 -0.83 -2.31 115.31 118.27 1np8 h LEU 540 Ca 0.14 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1np8 h LEU 540 Cb 0.37 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1np8 h LEU 540 CO 0.01 1.12 0.00 0.78 0.09 0.00 0.00 178.44 180.44 1np8 h ASN 541 N 0.64 0.00 -0.01 -0.43 2.35 -0.89 -1.88 115.58 115.36 1np8 h ASN 541 Ca 0.05 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.62 1np8 h ASN 541 Cb 0.95 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.32 1np8 h ASN 541 CO 0.09 0.00 -0.62 0.11 -1.65 0.00 0.00 177.43 175.36 1np8 h LYS 542 N 0.00 0.62 -0.42 0.81 1.57 -0.85 -0.05 116.57 118.25 1np8 h LYS 542 Ca 0.00 -0.43 -0.02 0.00 -1.87 0.00 0.00 60.65 58.32 1np8 h LYS 542 Cb 0.55 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1np8 h LYS 542 CO 0.00 1.05 0.17 0.28 -0.57 0.00 0.00 179.45 180.39 1np8 h VAL 543 N 0.46 1.19 -0.40 0.50 2.07 -0.83 -1.32 116.25 117.93 1np8 h VAL 543 Ca -0.01 -0.59 -0.09 0.00 0.82 0.00 0.00 66.70 66.83 1np8 h VAL 543 Cb 1.20 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1np8 h VAL 543 CO 0.12 0.22 -0.12 -0.37 0.02 0.00 0.00 177.57 177.44 1np8 h VAL 544 N 0.53 1.25 -0.34 2.57 -1.51 -1.34 -2.30 116.25 115.11 1np8 h VAL 544 Ca 0.14 -1.15 0.02 0.00 -1.23 0.00 0.00 66.70 64.48 1np8 h VAL 544 Cb 0.18 1.08 -0.03 0.00 -2.13 0.00 0.00 31.29 30.39 1np8 h VAL 544 CO -0.01 0.39 0.17 0.74 -1.23 0.00 0.00 177.57 177.63 1np8 h THR 545 N 0.65 0.99 0.00 7.19 2.02 -0.63 -2.73 112.91 120.39 1np8 h THR 545 Ca 0.11 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1np8 h THR 545 Cb 0.58 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1np8 h THR 545 CO 0.04 0.07 0.00 0.54 0.37 0.00 0.00 175.52 176.53 1np8 n ARG 546 N -4.94 0.20 -3.64 6.66 1.74 -0.53 -4.23 116.66 111.93 1np8 n ARG 546 Ca 0.00 0.28 -0.27 0.00 -0.77 0.00 0.00 57.85 57.09 1np8 n ARG 546 Cb 0.08 -1.79 -0.10 0.00 -1.02 0.00 0.00 32.46 29.63 1np8 n ARG 546 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1np8 n HIS 547 N -2.15 2.35 0.28 -1.55 8.25 -0.89 -4.92 115.22 116.59 1np8 n HIS 547 Ca 0.04 -4.05 0.04 0.00 -0.26 0.00 0.00 57.72 53.50 1np8 n HIS 547 Cb 0.34 -0.44 0.17 0.00 1.12 0.00 0.00 29.99 31.18 1np8 n HIS 547 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1np8 n PRO 548 N 1.79 0.00 0.03 -0.41 -0.04 -1.25 -1.71 135.00 133.41 1np8 n PRO 548 Ca 0.24 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 64.17 1np8 n PRO 548 Cb 0.40 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.81 1np8 n PRO 548 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1np8 n ASP 549 N -1.49 0.19 -4.69 3.54 3.85 -1.26 -4.68 116.55 112.00 1np8 n ASP 549 Ca 0.02 0.53 -0.40 0.00 -0.71 0.00 0.00 54.79 54.23 1np8 n ASP 549 Cb 0.09 -0.58 -0.05 0.00 -1.35 0.00 0.00 41.12 39.24 1np8 n ASP 549 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 1np8 s LEU 550 N -3.38 4.24 -0.03 -2.12 1.43 -0.70 -4.63 118.68 113.48 1np8 s LEU 550 Ca 0.09 1.03 -0.29 0.00 -1.03 0.00 0.00 54.13 53.93 1np8 s LEU 550 Cb 0.13 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1np8 s LEU 550 CO 0.41 -0.19 0.94 -0.75 0.23 0.00 0.00 176.35 177.00 1np8 s LYS 551 N 1.30 4.51 -0.13 1.70 2.47 -0.95 -4.97 119.74 123.67 1np8 s LYS 551 Ca 0.33 1.33 -0.31 0.00 -1.56 0.00 0.00 55.97 55.76 1np8 s LYS 551 Cb -0.17 -3.47 0.13 0.00 -1.46 0.00 0.00 37.83 32.86 1np8 s LYS 551 CO 0.14 -0.08 1.05 -0.08 0.16 0.00 0.00 175.35 176.54 1np8 s THR 552 N 1.17 0.00 -0.27 3.43 -1.32 -1.26 -1.10 115.64 116.29 1np8 s THR 552 Ca 0.49 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.08 1np8 s THR 552 Cb -0.20 -1.00 0.53 0.00 -1.51 0.00 0.00 72.50 70.32 1np8 s THR 552 CO 0.25 0.00 1.49 -0.90 -2.21 0.00 0.00 174.62 173.24 1np8 n ASP 553 N 0.22 3.04 -0.03 8.08 5.68 -1.26 -5.04 116.55 127.24 1np8 n ASP 553 Ca -0.06 -3.51 0.00 0.00 -0.50 0.00 0.00 54.79 50.72 1np8 n ASP 553 Cb 0.59 -0.62 -0.00 0.00 -1.14 0.00 0.00 41.12 39.95 1np8 n ASP 553 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1np8 n GLY 554 N -0.92 -1.69 3.33 6.12 0.00 -1.26 -4.81 105.19 105.96 1np8 n GLY 554 Ca 0.31 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1np8 n GLY 554 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1np8 s PHE 555 N -1.63 3.28 0.81 1.61 0.40 -1.26 -4.80 117.98 116.39 1np8 s PHE 555 Ca 0.00 -1.23 -0.11 0.00 -0.60 0.00 0.00 56.93 54.99 1np8 s PHE 555 Cb 0.00 -2.69 0.08 0.00 0.51 0.00 0.00 43.02 40.92 1np8 s PHE 555 CO 0.00 -0.75 1.09 0.20 0.70 0.00 0.00 175.22 176.46 1np8 s GLY 556 N 1.85 1.64 0.41 4.36 0.00 -1.26 -4.87 107.32 109.44 1np8 s GLY 556 Ca 0.02 -0.03 0.09 0.00 0.00 0.00 0.00 44.72 44.80 1np8 s GLY 556 CO 0.05 0.39 1.99 1.19 0.00 0.00 0.00 173.10 176.72 1np8 h ILE 557 N -1.21 1.13 -0.23 0.90 6.09 -1.98 -2.12 117.51 120.09 1np8 h ILE 557 Ca -0.47 -0.45 -0.02 0.00 -1.37 0.00 0.00 64.86 62.55 1np8 h ILE 557 Cb 1.26 0.88 -0.01 0.00 0.47 0.00 0.00 36.82 39.42 1np8 h ILE 557 CO 0.56 0.16 0.08 0.44 -3.07 0.00 0.00 178.15 176.32 1np8 h ASP 558 N 0.36 0.33 -0.10 2.19 3.32 -1.99 0.11 116.42 120.64 1np8 h ASP 558 Ca 0.09 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 1np8 h ASP 558 Cb 0.15 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 1np8 h ASP 558 CO -0.00 0.43 -0.26 0.00 -1.72 0.00 0.00 179.24 177.69 1np8 h THR 559 N 0.21 1.27 0.00 0.35 1.03 -1.87 -1.45 112.91 112.45 1np8 h THR 559 Ca 0.08 -1.32 -0.10 0.00 -0.01 0.00 0.00 66.41 65.05 1np8 h THR 559 Cb 0.22 1.35 -0.01 0.00 -1.07 0.00 0.00 68.15 68.63 1np8 h THR 559 CO -0.00 0.42 -0.49 0.00 -0.01 0.00 0.00 175.52 175.44 1np8 h ARG 561 N 0.00 0.19 -0.40 0.00 3.08 -0.35 -2.34 114.38 114.56 1np8 h ARG 561 Ca -0.00 -0.14 -0.13 0.00 0.07 0.00 0.00 59.98 59.77 1np8 h ARG 561 Cb 0.94 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1np8 h ARG 561 CO 0.06 0.78 -0.26 1.03 -1.07 0.00 0.00 179.97 180.52 1np8 h SER 562 N 0.13 0.92 -0.27 7.04 0.87 -0.85 -1.75 113.55 119.65 1np8 h SER 562 Ca -0.01 -0.43 0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1np8 h SER 562 Cb 1.20 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.88 1np8 h SER 562 CO 0.10 1.15 0.13 0.24 -0.53 0.00 0.00 176.83 177.92 1np8 h MET 563 N 0.70 0.26 -0.62 2.24 2.86 -1.06 -2.14 114.93 117.17 1np8 h MET 563 Ca 0.08 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1np8 h MET 563 Cb 0.84 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.41 1np8 h MET 563 CO 0.07 0.17 0.33 0.28 1.06 0.00 0.00 176.91 178.82 1np8 h VAL 564 N 0.27 1.20 -0.71 -2.22 2.07 -1.37 -1.00 116.25 114.50 1np8 h VAL 564 Ca 0.11 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1np8 h VAL 564 Cb 0.04 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 1np8 h VAL 564 CO -0.09 0.23 0.40 0.00 0.02 0.00 0.00 177.57 178.13 1np8 h ALA 565 N 1.15 1.38 0.00 1.67 0.00 -0.97 0.16 119.26 122.65 1np8 h ALA 565 Ca 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1np8 h ALA 565 Cb 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1np8 h ALA 565 CO -0.03 0.52 -0.64 1.33 0.00 0.00 0.00 179.25 180.43 1np8 n VAL 566 N -4.38 0.09 0.46 0.00 0.24 -0.84 -4.04 118.33 109.87 1np8 n VAL 566 Ca 0.07 -0.09 0.08 0.00 -2.04 0.00 0.00 64.34 62.37 1np8 n VAL 566 Cb 0.09 0.23 -0.11 0.00 -1.47 0.00 0.00 33.84 32.58 1np8 n VAL 566 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 1np8 n MET 567 N -1.68 1.14 -2.00 7.34 2.81 -0.39 -4.72 117.12 119.62 1np8 n MET 567 Ca 0.04 -0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.45 1np8 n MET 567 Cb 0.37 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 1np8 n MET 567 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1np8 n ASP 568 N -1.67 4.42 0.25 7.83 2.03 0.53 -4.77 116.55 125.17 1np8 n ASP 568 Ca 0.01 -2.96 0.17 0.00 0.52 0.00 0.00 54.79 52.52 1np8 n ASP 568 Cb 0.33 -1.58 0.67 0.00 -0.72 0.00 0.00 41.12 39.82 1np8 n ASP 568 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 1np8 h SER 569 N 5.89 0.00 -0.37 1.67 4.64 -1.87 -2.10 113.55 121.42 1np8 h SER 569 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 1np8 h SER 569 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1np8 h SER 569 CO 1.77 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 176.83 1np8 n ASP 570 N -2.94 2.56 -3.99 4.97 5.68 -1.26 -4.96 116.55 116.61 1np8 n ASP 570 Ca 0.01 -1.91 -0.26 0.00 -0.50 0.00 0.00 54.79 52.13 1np8 n ASP 570 Cb 0.28 -0.24 -0.02 0.00 -1.14 0.00 0.00 41.12 40.00 1np8 n ASP 570 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1np8 n THR 571 N 0.90 -2.80 0.46 2.12 -2.24 -0.79 -4.86 114.28 107.07 1np8 n THR 571 Ca 0.17 -0.45 0.12 0.00 -2.27 0.00 0.00 64.05 61.62 1np8 n THR 571 Cb 0.44 -2.51 0.11 0.00 -2.10 0.00 0.00 70.33 66.27 1np8 n THR 571 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1np8 h THR 572 N -1.81 0.00 0.00 4.28 1.35 -1.93 -3.47 112.91 111.32 1np8 h THR 572 Ca -0.63 -0.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 1np8 h THR 572 Cb 1.38 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.93 1np8 h THR 572 CO 0.64 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1np8 n GLY 573 N 1.30 0.55 3.32 5.82 0.00 -1.26 -5.02 105.19 109.90 1np8 n GLY 573 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.90 1np8 n GLY 573 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1np8 s LYS 574 N -0.82 1.49 -0.36 1.61 1.02 -1.26 -4.84 119.74 116.58 1np8 s LYS 574 Ca 0.00 -1.70 -0.15 0.00 0.02 0.00 0.00 55.97 54.14 1np8 s LYS 574 Cb 0.00 0.34 -0.00 0.00 -0.52 0.00 0.00 37.83 37.64 1np8 s LYS 574 CO 0.00 -0.55 0.32 -0.51 -0.92 0.00 0.00 175.35 173.69 1np8 s LEU 575 N -3.21 4.63 1.08 3.17 1.02 0.90 -4.81 118.68 121.46 1np8 s LEU 575 Ca 0.36 -0.46 -0.18 0.00 0.02 0.00 0.00 54.13 53.87 1np8 s LEU 575 Cb 0.04 -2.25 0.25 0.00 0.02 0.00 0.00 46.19 44.24 1np8 s LEU 575 CO 0.17 -0.36 1.25 -0.83 0.02 0.00 0.00 176.35 176.60 1np8 s GLY 576 N 1.73 1.71 0.14 -3.19 0.00 -1.26 -0.02 107.32 106.43 1np8 s GLY 576 Ca 0.09 -1.16 -0.28 0.00 0.00 0.00 0.00 44.72 43.37 1np8 s GLY 576 CO 0.11 -0.31 1.58 -2.75 0.00 0.00 0.00 173.10 171.73 1np8 h PHE 577 N -2.09 -1.19 -0.23 1.90 3.57 -1.98 0.24 116.94 117.16 1np8 h PHE 577 Ca -0.44 0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.04 1np8 h PHE 577 Cb 1.25 0.56 -0.01 0.00 2.79 0.00 0.00 35.95 40.53 1np8 h PHE 577 CO -1.76 -0.45 -0.21 0.93 -2.23 0.00 0.00 178.31 174.58 1np8 h GLU 578 N -0.40 0.41 -0.27 1.11 4.39 -1.99 -0.19 114.58 117.65 1np8 h GLU 578 Ca 0.11 -0.14 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 1np8 h GLU 578 Cb 0.60 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1np8 h GLU 578 CO -0.48 0.61 -0.51 0.93 -1.16 0.00 0.00 179.01 178.39 1np8 h GLU 579 N 0.37 0.82 -0.20 2.33 5.08 -1.75 -2.56 114.58 118.67 1np8 h GLU 579 Ca 0.06 -0.52 -0.19 0.00 -1.00 0.00 0.00 59.36 57.71 1np8 h GLU 579 Cb 0.59 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1np8 h GLU 579 CO 0.04 1.15 -0.64 0.35 -1.00 0.00 0.00 179.01 178.92 1np8 h PHE 580 N 0.58 0.92 -0.49 4.33 3.57 -0.38 -2.38 116.94 123.08 1np8 h PHE 580 Ca 0.01 -0.36 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1np8 h PHE 580 Cb 1.12 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.68 1np8 h PHE 580 CO 0.08 1.16 0.32 -0.22 -2.23 0.00 0.00 178.31 177.41 1np8 h LYS 581 N 0.52 0.65 0.28 1.11 3.64 -1.07 0.35 116.57 122.05 1np8 h LYS 581 Ca -0.01 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1np8 h LYS 581 Cb 1.23 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.90 1np8 h LYS 581 CO 0.13 0.44 -0.16 -0.92 -2.27 0.00 0.00 179.45 176.68 1np8 h TYR 582 N 0.67 -0.41 0.16 1.91 3.20 -1.41 -1.48 116.97 119.61 1np8 h TYR 582 Ca 0.18 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1np8 h TYR 582 Cb -0.06 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1np8 h TYR 582 CO -0.04 -0.25 -0.08 1.25 -1.64 0.00 0.00 178.16 177.41 1np8 h LEU 583 N -0.41 -0.18 -0.45 2.82 5.85 -1.22 -2.48 115.31 119.24 1np8 h LEU 583 Ca -0.03 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.74 1np8 h LEU 583 Cb 0.33 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.35 1np8 h LEU 583 CO 0.04 -0.10 0.11 -0.25 -0.34 0.00 0.00 178.44 177.91 1np8 h TRP 584 N -0.25 0.19 -0.93 1.25 2.91 -0.25 0.15 115.95 119.02 1np8 h TRP 584 Ca -0.02 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1np8 h TRP 584 Cb 0.20 -0.02 -0.04 0.00 -0.51 0.00 0.00 29.16 28.78 1np8 h TRP 584 CO -0.06 0.03 0.54 -0.91 -1.03 0.00 0.00 178.44 177.02 1np8 h ASN 585 N 0.26 1.13 0.04 2.65 2.35 -1.26 -0.52 115.58 120.23 1np8 h ASN 585 Ca 0.22 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1np8 h ASN 585 Cb 0.27 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 38.35 1np8 h ASN 585 CO -0.27 0.88 -0.02 0.78 -1.65 0.00 0.00 177.43 177.15 1np8 h ASN 586 N 1.29 -0.04 -0.17 5.81 2.35 -0.79 0.55 115.58 124.57 1np8 h ASN 586 Ca 0.33 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 56.09 1np8 h ASN 586 Cb -0.03 0.01 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1np8 h ASN 586 CO -0.06 -0.02 0.04 0.40 -1.65 0.00 0.00 177.43 176.14 1np8 h ILE 587 N -0.06 0.93 -0.97 2.81 2.04 -0.32 0.33 117.51 122.26 1np8 h ILE 587 Ca -0.01 -0.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1np8 h ILE 587 Cb 0.05 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.89 1np8 h ILE 587 CO 0.01 0.02 0.61 0.11 0.00 0.00 0.00 178.15 178.89 1np8 h LYS 588 N 0.11 1.30 -0.49 2.37 1.79 -0.97 0.15 116.57 120.84 1np8 h LYS 588 Ca 0.08 -0.10 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1np8 h LYS 588 Cb 0.07 -0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 30.42 1np8 h LYS 588 CO -0.10 0.89 0.14 -0.22 -1.08 0.00 0.00 179.45 179.08 1np8 h LYS 589 N 1.33 0.78 -0.05 3.15 3.64 -0.20 -2.29 116.57 122.93 1np8 h LYS 589 Ca 0.35 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.46 1np8 h LYS 589 Cb -0.09 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 1np8 h LYS 589 CO -0.07 0.74 -0.42 -1.49 -2.27 0.00 0.00 179.45 175.94 1np8 h TRP 590 N 0.67 0.13 -0.61 1.91 6.55 0.22 -2.22 115.95 122.59 1np8 h TRP 590 Ca 0.16 -0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.88 1np8 h TRP 590 Cb 0.30 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 28.54 1np8 h TRP 590 CO 0.02 0.51 0.06 0.37 -1.05 0.00 0.00 178.44 178.35 1np8 h GLN 591 N 0.09 1.03 -0.66 0.49 4.15 -0.42 0.12 115.11 119.91 1np8 h GLN 591 Ca 0.01 -0.29 -0.05 0.00 0.77 0.00 0.00 58.65 59.08 1np8 h GLN 591 Cb 0.78 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 1np8 h GLN 591 CO 0.06 0.98 0.20 0.78 -1.93 0.00 0.00 178.83 178.92 1np8 h GLY 592 N 1.02 1.09 0.86 2.39 0.00 -1.02 -2.31 103.07 105.10 1np8 h GLY 592 Ca 0.18 -0.63 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 1np8 h GLY 592 CO 0.02 0.59 -0.00 -2.22 0.00 0.00 0.00 176.54 174.92 1np8 h ILE 593 N 0.98 1.26 -0.52 2.60 2.04 -0.94 -0.53 117.51 122.40 1np8 h ILE 593 Ca 0.22 -0.92 0.10 0.00 1.00 0.00 0.00 64.86 65.26 1np8 h ILE 593 Cb 0.28 1.35 -0.08 0.00 -0.74 0.00 0.00 36.82 37.63 1np8 h ILE 593 CO -0.01 0.29 0.03 0.22 0.00 0.00 0.00 178.15 178.68 1np8 h TYR 594 N 0.24 0.02 -0.20 1.37 3.20 -0.45 0.29 116.97 121.44 1np8 h TYR 594 Ca 0.07 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.77 1np8 h TYR 594 Cb 0.42 0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.77 1np8 h TYR 594 CO 0.04 -0.09 -0.68 0.87 -1.64 0.00 0.00 178.16 176.65 1np8 h LYS 595 N 0.15 0.81 -0.54 1.82 1.57 -1.36 -2.65 116.57 116.37 1np8 h LYS 595 Ca 0.26 -0.61 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 1np8 h LYS 595 Cb 0.39 0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1np8 h LYS 595 CO -0.41 1.23 0.13 -0.09 -0.57 0.00 0.00 179.45 179.74 1np8 h ARG 596 N 0.56 0.86 -0.00 3.15 2.43 -0.42 -3.06 114.38 117.88 1np8 h ARG 596 Ca -0.03 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1np8 h ARG 596 Cb 1.31 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1np8 h ARG 596 CO 0.14 0.81 -0.11 1.19 -1.51 0.00 0.00 179.97 180.49 1np8 n PHE 597 N -4.42 0.00 -2.28 2.20 3.01 0.95 -4.42 117.46 112.49 1np8 n PHE 597 Ca 0.02 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.05 1np8 n PHE 597 Cb 0.23 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1np8 n PHE 597 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1np8 n ASP 598 N -0.82 4.68 0.06 4.37 2.03 -1.00 -4.73 116.55 121.14 1np8 n ASP 598 Ca 0.15 -2.96 0.12 0.00 0.52 0.00 0.00 54.79 52.62 1np8 n ASP 598 Cb 0.28 -1.60 0.47 0.00 -0.72 0.00 0.00 41.12 39.55 1np8 n ASP 598 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1np8 n THR 599 N 4.70 0.53 -0.15 5.18 -2.24 -1.26 -2.55 114.28 118.48 1np8 n THR 599 Ca 0.45 -0.01 0.10 0.00 -2.27 0.00 0.00 64.05 62.32 1np8 n THR 599 Cb 0.40 -0.74 0.30 0.00 -2.10 0.00 0.00 70.33 68.19 1np8 n THR 599 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1np8 n ASP 600 N -1.90 3.67 -4.04 3.42 5.68 -1.26 -4.96 116.55 117.16 1np8 n ASP 600 Ca 0.05 -2.06 -0.31 0.00 -0.50 0.00 0.00 54.79 51.96 1np8 n ASP 600 Cb 0.32 -0.46 -0.01 0.00 -1.14 0.00 0.00 41.12 39.83 1np8 n ASP 600 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1np8 n ARG 601 N 1.37 -3.97 0.01 0.11 3.00 -1.06 -4.87 116.66 111.25 1np8 n ARG 601 Ca 0.22 0.46 0.12 0.00 -0.01 0.00 0.00 57.85 58.64 1np8 n ARG 601 Cb 0.60 -5.08 0.26 0.00 0.00 0.00 0.00 32.46 28.24 1np8 n ARG 601 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1np8 n SER 602 N -2.81 0.50 0.00 0.55 3.41 -1.26 -4.91 113.62 109.09 1np8 n SER 602 Ca -0.05 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1np8 n SER 602 Cb 0.56 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.70 1np8 n SER 602 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1np8 n GLY 603 N 1.47 0.71 3.24 5.00 0.00 -1.26 -4.88 105.19 109.48 1np8 n GLY 603 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1np8 n GLY 603 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1np8 s THR 604 N -2.84 0.00 -0.24 2.61 -4.23 -1.26 -2.24 115.64 107.44 1np8 s THR 604 Ca 0.00 -1.95 -0.04 0.00 -1.18 0.00 0.00 61.69 58.52 1np8 s THR 604 Cb 0.00 -2.48 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 1np8 s THR 604 CO 0.00 0.00 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.43 1np8 s ILE 605 N -4.05 3.44 0.45 2.99 1.01 -0.92 -4.67 121.20 119.46 1np8 s ILE 605 Ca 0.38 -0.57 0.07 0.00 0.00 0.00 0.00 60.65 60.52 1np8 s ILE 605 Cb 0.06 -2.63 0.07 0.00 0.01 0.00 0.00 42.46 39.97 1np8 s ILE 605 CO 0.14 0.34 0.56 0.61 0.00 0.00 0.00 174.94 176.58 1np8 n GLY 606 N 4.80 2.18 0.40 6.18 0.00 -1.26 -0.67 105.19 116.82 1np8 n GLY 606 Ca -0.17 -2.22 0.18 0.00 0.00 0.00 0.00 46.02 43.81 1np8 n GLY 606 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1np8 h SER 607 N 0.19 0.34 0.77 1.61 0.02 -1.79 -0.09 113.55 114.61 1np8 h SER 607 Ca -0.23 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1np8 h SER 607 Cb 1.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.50 1np8 h SER 607 CO 0.34 0.16 -0.30 0.59 -1.14 0.00 0.00 176.83 176.48 1np8 n ASN 608 N -4.47 0.35 -0.10 3.07 5.03 -1.26 -4.16 115.26 113.73 1np8 n ASN 608 Ca 0.17 0.11 -0.11 0.00 0.87 0.00 0.00 54.58 55.62 1np8 n ASN 608 Cb 0.65 -0.09 -0.12 0.00 -1.02 0.00 0.00 39.78 39.19 1np8 n ASN 608 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1np8 n GLU 609 N -1.60 0.94 -0.21 3.52 1.02 -0.21 -4.68 120.64 119.41 1np8 n GLU 609 Ca 0.06 0.04 0.01 0.00 -0.02 0.00 0.00 57.16 57.25 1np8 n GLU 609 Cb 0.35 -1.44 0.12 0.00 -0.02 0.00 0.00 31.44 30.45 1np8 n GLU 609 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1np8 h LEU 610 N 0.00 0.28 -0.29 -4.62 6.46 -1.27 -2.14 115.31 113.73 1np8 h LEU 610 Ca -0.48 0.08 0.05 0.00 -0.12 0.00 0.00 57.88 57.41 1np8 h LEU 610 Cb 1.95 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 41.88 1np8 h LEU 610 CO -0.01 0.16 -0.01 -0.65 -0.62 0.00 0.00 178.44 177.31 1np8 h PRO 611 N 0.45 0.07 -0.55 5.25 0.11 -1.83 0.03 132.00 135.53 1np8 h PRO 611 Ca 0.32 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.35 1np8 h PRO 611 Cb 0.39 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1np8 h PRO 611 CO -0.30 0.05 0.05 0.78 -0.21 0.00 0.00 178.00 178.37 1np8 h GLY 612 N 0.07 1.01 0.99 -0.55 0.00 -1.81 -2.11 103.07 100.67 1np8 h GLY 612 Ca 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.77 1np8 h GLY 612 CO -0.24 0.65 0.15 0.00 0.00 0.00 0.00 176.54 177.10 1np8 h ALA 613 N 0.98 0.29 -0.18 3.60 0.00 -0.98 -0.23 119.26 122.74 1np8 h ALA 613 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1np8 h ALA 613 Cb 0.46 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1np8 h ALA 613 CO 0.02 -0.23 -0.30 0.74 0.00 0.00 0.00 179.25 179.48 1np8 h PHE 614 N 0.30 0.39 -0.33 0.00 0.05 -0.97 -0.44 116.94 115.94 1np8 h PHE 614 Ca 0.08 -0.09 -0.06 0.00 3.82 0.00 0.00 57.97 61.73 1np8 h PHE 614 Cb -0.02 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 1np8 h PHE 614 CO -0.06 0.62 -0.02 1.49 -0.18 0.00 0.00 178.31 180.16 1np8 h GLU 615 N 0.31 0.60 0.00 1.51 4.81 -1.01 0.34 114.58 121.14 1np8 h GLU 615 Ca 0.04 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 1np8 h GLU 615 Cb 0.68 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 1np8 h GLU 615 CO 0.05 0.74 -0.16 0.00 -0.73 0.00 0.00 179.01 178.92 1np8 h ALA 616 N 0.84 1.73 0.00 2.92 0.00 -0.65 0.55 119.26 124.64 1np8 h ALA 616 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1np8 h ALA 616 Cb 0.49 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1np8 h ALA 616 CO 0.02 0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1np8 n ALA 617 N -2.51 2.20 -0.25 0.00 0.00 -0.21 -4.90 120.51 114.85 1np8 n ALA 617 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1np8 n ALA 617 Cb 0.23 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1np8 n ALA 617 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1np8 n GLY 618 N 1.08 0.85 3.48 0.00 0.00 0.18 -5.06 105.19 105.72 1np8 n GLY 618 Ca 0.08 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1np8 n GLY 618 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1np8 s PHE 619 N -2.00 2.70 -0.20 1.61 0.40 0.11 -4.99 117.98 115.61 1np8 s PHE 619 Ca 0.00 -0.16 -0.08 0.00 -0.60 0.00 0.00 56.93 56.09 1np8 s PHE 619 Cb 0.00 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.87 1np8 s PHE 619 CO 0.00 0.20 0.08 -1.01 0.70 0.00 0.00 175.22 175.19 1np8 s HIS 620 N -0.75 3.24 0.71 0.36 3.76 -1.26 -3.49 115.29 117.85 1np8 s HIS 620 Ca 0.12 0.04 -0.04 0.00 -0.15 0.00 0.00 55.06 55.02 1np8 s HIS 620 Cb -0.11 -2.13 0.10 0.00 1.11 0.00 0.00 32.58 31.55 1np8 s HIS 620 CO 0.01 0.08 1.00 -0.51 -0.85 0.00 0.00 174.74 174.47 1np8 s LEU 621 N 0.62 2.96 0.26 0.89 1.43 -1.26 -5.08 118.68 118.49 1np8 s LEU 621 Ca 0.04 0.04 -0.20 0.00 -1.03 0.00 0.00 54.13 52.98 1np8 s LEU 621 Cb -0.13 -2.56 0.06 0.00 0.03 0.00 0.00 46.19 43.59 1np8 s LEU 621 CO 0.01 -1.74 0.90 0.54 0.23 0.00 0.00 176.35 176.29 1np8 s ASN 622 N -4.62 -0.07 0.22 2.29 2.20 -1.26 -5.03 114.94 108.67 1np8 s ASN 622 Ca 0.63 -0.77 -0.09 0.00 -0.94 0.00 0.00 52.86 51.70 1np8 s ASN 622 Cb -0.08 0.65 0.20 0.00 -2.00 0.00 0.00 41.25 40.02 1np8 s ASN 622 CO 0.44 -1.26 1.89 0.06 -2.94 0.00 0.00 177.10 175.29 1np8 h GLN 623 N 2.00 1.05 0.38 3.55 3.07 -1.99 -1.89 115.11 121.27 1np8 h GLN 623 Ca -0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.40 1np8 h GLN 623 Cb 1.24 -0.24 -0.02 0.00 0.08 0.00 0.00 27.48 28.54 1np8 h GLN 623 CO 0.34 0.69 -0.32 1.25 0.09 0.00 0.00 178.83 180.88 1np8 h HIS 624 N 1.08 -0.86 -0.37 0.06 2.76 -1.97 0.42 115.15 116.26 1np8 h HIS 624 Ca 0.31 0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.56 1np8 h HIS 624 Cb -0.08 0.33 -0.08 0.00 1.55 0.00 0.00 27.41 29.13 1np8 h HIS 624 CO -0.02 -0.47 -0.16 0.82 -1.30 0.00 0.00 177.93 176.80 1np8 h ILE 625 N -0.71 0.49 -0.10 6.26 1.08 -1.89 1.43 117.51 124.07 1np8 h ILE 625 Ca -0.03 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 1np8 h ILE 625 Cb 0.62 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 34.86 1np8 h ILE 625 CO -0.03 0.00 0.05 1.88 -0.69 0.00 0.00 178.15 179.37 1np8 h TYR 626 N -0.09 0.15 -0.05 1.37 -1.99 -1.14 0.53 116.97 115.75 1np8 h TYR 626 Ca 0.19 -0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.87 1np8 h TYR 626 Cb 0.38 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.06 1np8 h TYR 626 CO -0.39 0.19 -0.12 0.77 -0.00 0.00 0.00 178.16 178.61 1np8 h SER 627 N 0.06 0.19 0.71 3.88 0.02 -0.42 -2.38 113.55 115.61 1np8 h SER 627 Ca 0.04 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.39 1np8 h SER 627 Cb 0.10 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1np8 h SER 627 CO -0.01 0.75 -0.71 0.23 -1.14 0.00 0.00 176.83 175.96 1np8 n MET 628 N -4.64 0.25 0.03 3.45 2.81 0.48 -4.45 117.12 115.05 1np8 n MET 628 Ca -0.08 0.05 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 1np8 n MET 628 Cb 0.37 -1.64 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 1np8 n MET 628 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1np8 n ILE 629 N -1.99 0.47 -0.25 2.02 2.08 -0.12 -4.79 119.36 116.78 1np8 n ILE 629 Ca 0.03 0.16 0.05 0.00 0.56 0.00 0.00 62.75 63.55 1np8 n ILE 629 Cb 0.42 -1.08 0.18 0.00 -0.75 0.00 0.00 39.64 38.41 1np8 n ILE 629 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1np8 h ILE 630 N 0.00 0.62 -0.25 1.39 1.08 -1.06 -2.73 117.51 116.57 1np8 h ILE 630 Ca 0.00 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.40 1np8 h ILE 630 Cb 0.00 0.21 -0.08 0.00 -3.07 0.00 0.00 36.82 33.88 1np8 h ILE 630 CO 0.00 0.07 -0.35 -0.09 -0.69 0.00 0.00 178.15 177.09 1np8 h ARG 631 N 0.38 -0.34 0.00 2.37 9.65 -1.64 -1.31 114.38 123.49 1np8 h ARG 631 Ca 0.40 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 59.31 1np8 h ARG 631 Cb 0.63 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.28 1np8 h ARG 631 CO -0.42 -0.23 0.00 0.07 2.80 0.00 0.00 179.97 182.19 1np8 h ARG 632 N -0.35 0.00 -0.17 0.20 0.11 -1.77 -2.41 114.38 109.98 1np8 h ARG 632 Ca 0.12 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.20 1np8 h ARG 632 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 1np8 h ARG 632 CO -0.45 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.28 1np8 n TYR 633 N -2.81 0.20 -4.36 4.08 4.02 -0.52 -4.96 117.16 112.80 1np8 n TYR 633 Ca -0.01 -0.10 -0.21 0.00 -0.01 0.00 0.00 57.90 57.56 1np8 n TYR 633 Cb 0.14 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 39.35 1np8 n TYR 633 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1np8 s SER 634 N -1.77 2.81 1.00 7.72 1.04 -0.91 -4.55 113.70 119.04 1np8 s SER 634 Ca 0.34 -0.93 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1np8 s SER 634 Cb 0.21 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.15 1np8 s SER 634 CO 0.31 -0.05 0.00 -0.90 0.98 0.00 0.00 173.24 173.57 1np8 n ASP 635 N -0.01 -0.41 0.11 7.02 5.68 0.41 -4.83 116.55 124.51 1np8 n ASP 635 Ca -0.11 -0.79 0.10 0.00 -0.50 0.00 0.00 54.79 53.50 1np8 n ASP 635 Cb 0.58 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 41.02 1np8 n ASP 635 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1np8 n GLU 636 N -1.20 0.15 -0.31 0.11 4.07 -1.26 -1.72 120.64 120.47 1np8 n GLU 636 Ca 0.00 0.43 0.08 0.00 -0.06 0.00 0.00 57.16 57.61 1np8 n GLU 636 Cb 0.00 -1.81 0.23 0.00 -0.06 0.00 0.00 31.44 29.80 1np8 n GLU 636 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1np8 n THR 637 N -2.09 1.30 -1.02 6.31 -2.24 -1.26 -4.95 114.28 110.32 1np8 n THR 637 Ca 0.02 -1.15 -0.01 0.00 -2.27 0.00 0.00 64.05 60.64 1np8 n THR 637 Cb 0.18 0.34 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1np8 n THR 637 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1np8 n GLY 638 N 0.67 0.45 3.84 3.38 0.00 -0.70 -4.59 105.19 108.23 1np8 n GLY 638 Ca 0.17 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.92 1np8 n GLY 638 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1np8 s ASN 639 N -2.85 6.44 -0.08 1.61 0.01 -1.26 -3.17 114.94 115.64 1np8 s ASN 639 Ca 0.00 0.53 0.04 0.00 -0.71 0.00 0.00 52.86 52.72 1np8 s ASN 639 Cb 0.00 -2.12 -0.01 0.00 0.41 0.00 0.00 41.25 39.54 1np8 s ASN 639 CO 0.00 0.33 -0.22 0.00 -1.51 0.00 0.00 177.10 175.70 1np8 s MET 640 N -0.70 2.82 1.11 -0.60 0.23 0.16 -0.44 119.30 121.87 1np8 s MET 640 Ca 0.16 -0.85 -0.19 0.00 -1.03 0.00 0.00 55.69 53.78 1np8 s MET 640 Cb -0.13 -2.29 0.26 0.00 -1.53 0.00 0.00 34.83 31.14 1np8 s MET 640 CO 0.05 0.32 1.25 0.16 -2.03 0.00 0.00 175.02 174.76 1np8 s ASP 641 N 0.01 1.80 0.14 -1.18 3.84 -1.26 -2.16 116.67 117.87 1np8 s ASP 641 Ca -0.08 0.31 -0.17 0.00 -0.00 0.00 0.00 52.55 52.61 1np8 s ASP 641 Cb -0.15 -0.35 -0.01 0.00 -1.38 0.00 0.00 42.92 41.03 1np8 s ASP 641 CO 0.05 -3.55 1.79 0.15 -0.00 0.00 0.00 175.17 173.61 1np8 h PHE 642 N -2.20 0.45 -0.38 2.11 3.57 -1.38 -0.36 116.94 118.74 1np8 h PHE 642 Ca -0.43 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 60.97 1np8 h PHE 642 Cb 1.24 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.82 1np8 h PHE 642 CO -2.02 0.30 -0.16 0.38 -2.23 0.00 0.00 178.31 174.57 1np8 h ASP 643 N 0.46 0.71 -0.33 0.41 2.03 -1.87 -1.13 116.42 116.69 1np8 h ASP 643 Ca 0.13 -0.23 -0.14 0.00 -0.73 0.00 0.00 57.03 56.06 1np8 h ASP 643 Cb -0.03 -0.19 -0.00 0.00 -0.83 0.00 0.00 39.33 38.27 1np8 h ASP 643 CO -0.03 0.88 -0.35 0.78 -1.03 0.00 0.00 179.24 179.50 1np8 h ASN 644 N 0.64 0.88 0.07 4.15 4.21 -1.84 -0.73 115.58 122.95 1np8 h ASN 644 Ca 0.10 -0.47 0.01 0.00 1.21 0.00 0.00 56.30 57.14 1np8 h ASN 644 Cb 0.63 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 1np8 h ASN 644 CO 0.04 1.17 -0.09 0.15 -1.29 0.00 0.00 177.43 177.41 1np8 h PHE 645 N 0.60 -0.24 -0.41 1.19 3.57 -0.85 0.16 116.94 120.96 1np8 h PHE 645 Ca 0.05 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.52 1np8 h PHE 645 Cb 0.93 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.75 1np8 h PHE 645 CO 0.07 -0.15 0.11 0.82 -2.23 0.00 0.00 178.31 176.93 1np8 h ILE 646 N -0.20 1.23 -0.07 1.41 1.08 -1.20 -2.28 117.51 117.47 1np8 h ILE 646 Ca 0.01 -0.76 0.02 0.00 -0.39 0.00 0.00 64.86 63.74 1np8 h ILE 646 Cb 0.21 0.94 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 1np8 h ILE 646 CO -0.05 0.27 -0.03 0.28 -0.69 0.00 0.00 178.15 177.93 1np8 h SER 647 N 0.53 -0.11 -0.47 1.72 0.02 -0.88 -0.80 113.55 113.56 1np8 h SER 647 Ca 0.13 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1np8 h SER 647 Cb 0.29 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.84 1np8 h SER 647 CO -0.00 -0.05 0.16 0.00 -1.14 0.00 0.00 176.83 175.80 1np8 h LEU 649 N 0.32 0.81 -0.47 0.00 3.38 -1.03 0.10 115.31 118.43 1np8 h LEU 649 Ca 0.23 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1np8 h LEU 649 Cb 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1np8 h LEU 649 CO -0.24 0.82 0.22 0.58 0.09 0.00 0.00 178.44 179.91 1np8 h VAL 650 N 0.81 1.19 -0.50 1.22 2.07 -0.59 0.32 116.25 120.77 1np8 h VAL 650 Ca 0.17 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 1np8 h VAL 650 Cb 0.37 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1np8 h VAL 650 CO 0.01 0.21 0.14 0.03 0.02 0.00 0.00 177.57 177.97 1np8 h ARG 651 N 0.61 0.79 -0.66 1.57 2.47 -1.04 0.61 114.38 118.73 1np8 h ARG 651 Ca 0.16 -0.18 -0.07 0.00 -1.26 0.00 0.00 59.98 58.63 1np8 h ARG 651 Cb 0.13 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 1np8 h ARG 651 CO -0.02 0.75 0.14 -0.07 0.56 0.00 0.00 179.97 181.33 1np8 h LEU 652 N 0.68 1.00 -0.37 3.04 4.07 -0.47 -0.86 115.31 122.38 1np8 h LEU 652 Ca 0.16 -0.21 -0.07 0.00 0.08 0.00 0.00 57.88 57.84 1np8 h LEU 652 Cb 0.31 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 1np8 h LEU 652 CO -0.00 0.97 -0.03 -0.78 -1.08 0.00 0.00 178.44 177.52 1np8 h ASP 653 N 1.00 0.67 -0.93 -0.43 1.82 -0.15 0.37 116.42 118.78 1np8 h ASP 653 Ca 0.21 -0.33 0.06 0.00 -0.39 0.00 0.00 57.03 56.58 1np8 h ASP 653 Cb 0.38 -0.18 -0.06 0.00 0.68 0.00 0.00 39.33 40.15 1np8 h ASP 653 CO 0.00 0.84 0.60 0.00 -1.61 0.00 0.00 179.24 179.08 1np8 h ALA 654 N 0.86 1.47 0.08 -0.78 0.00 -0.57 -0.18 119.26 120.14 1np8 h ALA 654 Ca 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1np8 h ALA 654 Cb 0.51 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1np8 h ALA 654 CO 0.03 0.41 -0.04 1.98 0.00 0.00 0.00 179.25 181.62 1np8 h MET 655 N 1.09 -0.10 -0.87 0.00 1.85 -0.73 -2.86 114.93 113.30 1np8 h MET 655 Ca 0.39 0.01 0.05 0.00 -0.61 0.00 0.00 59.70 59.54 1np8 h MET 655 Cb 0.14 0.02 -0.06 0.00 0.43 0.00 0.00 31.60 32.14 1np8 h MET 655 CO -0.14 0.34 0.55 0.35 -0.40 0.00 0.00 176.91 177.61 1np8 h PHE 656 N -0.60 1.02 0.00 1.39 3.57 -0.69 0.02 116.94 121.65 1np8 h PHE 656 Ca -0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1np8 h PHE 656 Cb 0.50 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.91 1np8 h PHE 656 CO 0.08 0.54 0.00 0.54 -2.23 0.00 0.00 178.31 177.24 1np8 n ARG 657 N -4.59 0.01 -3.42 1.11 5.12 -0.10 -4.21 116.66 110.57 1np8 n ARG 657 Ca 0.12 0.20 -0.24 0.00 -1.93 0.00 0.00 57.85 56.00 1np8 n ARG 657 Cb 0.15 -1.51 -0.10 0.00 -1.16 0.00 0.00 32.46 29.84 1np8 n ARG 657 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1np8 s ALA 658 N -3.01 0.32 -2.00 7.54 0.00 -0.01 -5.08 121.76 119.52 1np8 s ALA 658 Ca 0.08 -1.42 0.19 0.00 0.00 0.00 0.00 51.96 50.82 1np8 s ALA 658 Cb 0.12 -1.78 1.16 0.00 0.00 0.00 0.00 23.12 22.62 1np8 s ALA 658 CO 0.33 -2.09 1.55 1.19 0.00 0.00 0.00 175.76 176.74