#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ibf s ILE 513 N 0.00 1.53 0.38 -0.18 1.09 -1.26 -5.13 121.20 117.64 3ibf s ILE 513 Ca 0.00 -0.94 -0.27 0.00 -1.10 0.00 0.00 60.65 58.34 3ibf s ILE 513 Cb 0.00 -1.30 -0.09 0.00 -1.06 0.00 0.00 42.46 40.01 3ibf s ILE 513 CO 0.00 0.33 1.25 -2.84 -0.10 0.00 0.00 174.94 173.58 3ibf s PRO 514 N -0.71 4.14 0.60 2.79 0.02 -1.26 -4.90 135.00 135.68 3ibf s PRO 514 Ca 0.07 2.04 0.37 0.00 0.02 0.00 0.00 61.00 63.50 3ibf s PRO 514 Cb -0.08 -2.84 1.92 0.00 0.02 0.00 0.00 34.50 33.53 3ibf s PRO 514 CO 0.00 -0.31 2.21 -0.39 -0.33 0.00 0.00 177.00 178.18 3ibf h VAL 515 N 2.60 0.18 -0.00 3.83 -1.51 -2.05 -2.22 116.25 117.08 3ibf h VAL 515 Ca -0.49 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 3ibf h VAL 515 Cb 1.24 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 3ibf h VAL 515 CO 0.64 0.03 -0.51 -0.62 -1.23 0.00 0.00 177.57 175.87 3ibf n GLU 516 N -3.29 0.36 -1.18 5.19 -0.58 -1.26 -4.98 120.64 114.90 3ibf n GLU 516 Ca -0.02 -0.24 -0.32 0.00 -0.42 0.00 0.00 57.16 56.16 3ibf n GLU 516 Cb 0.16 -1.50 0.11 0.00 -0.57 0.00 0.00 31.44 29.65 3ibf n GLU 516 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3ibf s ALA 517 N -2.80 1.98 -1.53 0.62 0.00 -0.84 -3.90 121.76 115.29 3ibf s ALA 517 Ca 0.15 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3ibf s ALA 517 Cb 0.18 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3ibf s ALA 517 CO 0.66 -2.08 0.00 -0.25 0.00 0.00 0.00 175.76 174.10 3ibf n ASP 518 N -3.41 -5.07 -4.66 0.00 8.00 -0.28 -4.98 116.55 106.15 3ibf n ASP 518 Ca 0.11 0.05 -0.32 0.00 0.71 0.00 0.00 54.79 55.34 3ibf n ASP 518 Cb 0.52 -4.15 -0.09 0.00 -0.02 0.00 0.00 41.12 37.38 3ibf n ASP 518 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3ibf s PHE 519 N -2.83 3.02 -0.05 1.24 0.40 -1.25 -4.82 117.98 113.69 3ibf s PHE 519 Ca 0.00 0.03 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 3ibf s PHE 519 Cb 0.00 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.94 3ibf s PHE 519 CO 0.00 0.45 0.09 -1.17 0.70 0.00 0.00 175.22 175.28 3ibf s LEU 520 N -1.68 0.44 -0.20 -0.37 0.20 -1.26 -0.46 118.68 115.36 3ibf s LEU 520 Ca 0.20 0.16 -0.02 0.00 0.69 0.00 0.00 54.13 55.16 3ibf s LEU 520 Cb -0.11 0.05 0.00 0.00 -0.43 0.00 0.00 46.19 45.70 3ibf s LEU 520 CO 0.11 -0.20 -0.11 -0.36 -0.29 0.00 0.00 176.35 175.50 3ibf s PHE 521 N 1.74 2.87 -0.46 5.38 0.40 0.06 -4.98 117.98 122.99 3ibf s PHE 521 Ca -0.02 -1.17 -0.05 0.00 -0.60 0.00 0.00 56.93 55.10 3ibf s PHE 521 Cb -0.12 -2.01 0.12 0.00 0.51 0.00 0.00 43.02 41.52 3ibf s PHE 521 CO -0.04 -0.61 0.28 0.00 0.70 0.00 0.00 175.22 175.55 3ibf s ALA 522 N 1.29 3.29 0.15 5.36 0.00 -1.26 -0.28 121.76 130.30 3ibf s ALA 522 Ca 0.04 -2.65 -0.20 0.00 0.00 0.00 0.00 51.96 49.15 3ibf s ALA 522 Cb -0.14 -2.58 -0.07 0.00 0.00 0.00 0.00 23.12 20.33 3ibf s ALA 522 CO -0.06 -1.88 0.66 0.71 0.00 0.00 0.00 175.76 175.19 3ibf s TYR 523 N 1.03 3.76 0.37 0.00 1.51 0.42 -4.97 117.35 119.47 3ibf s TYR 523 Ca 0.09 1.37 0.33 0.00 -1.01 0.00 0.00 57.07 57.85 3ibf s TYR 523 Cb -0.23 -2.58 1.62 0.00 -0.11 0.00 0.00 41.96 40.66 3ibf s TYR 523 CO -0.03 0.48 2.10 0.66 -1.11 0.00 0.00 175.55 177.65 3ibf h SER 524 N 4.05 0.00 -5.12 2.29 4.64 -1.94 -1.28 113.55 116.19 3ibf h SER 524 Ca -0.48 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.75 3ibf h SER 524 Cb 1.20 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.15 3ibf h SER 524 CO 0.65 0.07 -0.32 0.28 -0.87 0.00 0.00 176.83 176.63 3ibf s THR 525 N -4.01 0.12 0.68 2.95 -1.32 -1.26 -3.54 115.64 109.25 3ibf s THR 525 Ca -0.02 -1.00 -0.14 0.00 -1.21 0.00 0.00 61.69 59.32 3ibf s THR 525 Cb 0.12 -1.20 0.01 0.00 -1.51 0.00 0.00 72.50 69.92 3ibf s THR 525 CO 0.54 -0.55 1.10 0.68 -2.21 0.00 0.00 174.62 174.17 3ibf s VAL 526 N -3.48 3.36 0.08 5.08 -7.23 -0.93 -4.40 120.40 112.88 3ibf s VAL 526 Ca 0.02 0.59 -0.36 0.00 -1.81 0.00 0.00 61.98 60.41 3ibf s VAL 526 Cb 0.03 -3.11 -0.16 0.00 0.56 0.00 0.00 36.38 33.70 3ibf s VAL 526 CO -0.09 -0.44 1.43 -2.65 -0.31 0.00 0.00 175.10 173.04 3ibf n PRO 527 N -2.62 1.42 -0.51 4.82 -0.02 -1.26 -2.17 135.00 134.66 3ibf n PRO 527 Ca 0.10 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3ibf n PRO 527 Cb 0.52 -2.20 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 3ibf n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ibf n GLY 528 N 2.88 1.15 2.10 -1.23 0.00 -1.26 -5.05 105.19 103.78 3ibf n GLY 528 Ca 0.19 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 3ibf n GLY 528 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3ibf n TYR 529 N -2.00 -1.64 -4.04 1.61 4.02 -0.92 -5.13 117.16 109.06 3ibf n TYR 529 Ca 0.00 -1.23 -0.30 0.00 -0.01 0.00 0.00 57.90 56.37 3ibf n TYR 529 Cb 0.00 -0.27 -0.06 0.00 -0.02 0.00 0.00 39.34 38.99 3ibf n TYR 529 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 176.86 175.38 3ibf s TYR 530 N -1.28 3.22 -0.14 -0.72 6.14 -1.26 -4.95 117.35 118.35 3ibf s TYR 530 Ca 0.23 0.08 0.01 0.00 0.64 0.00 0.00 57.07 58.03 3ibf s TYR 530 Cb -0.02 -1.62 -0.00 0.00 0.42 0.00 0.00 41.96 40.74 3ibf s TYR 530 CO 0.15 0.53 -0.17 0.45 0.64 0.00 0.00 175.55 177.14 3ibf s SER 531 N -2.52 3.54 0.26 4.32 0.15 -1.26 -4.91 113.70 113.28 3ibf s SER 531 Ca 0.30 -0.48 -0.18 0.00 0.70 0.00 0.00 55.95 56.29 3ibf s SER 531 Cb -0.12 -1.53 -0.08 0.00 -1.71 0.00 0.00 66.02 62.58 3ibf s SER 531 CO 0.23 0.10 0.72 0.26 1.20 0.00 0.00 173.24 175.76 3ibf s TRP 532 N 0.69 3.54 -0.15 3.44 0.52 -1.26 -5.06 118.94 120.67 3ibf s TRP 532 Ca -0.08 1.31 -0.11 0.00 0.02 0.00 0.00 56.10 57.24 3ibf s TRP 532 Cb -0.16 -2.58 0.05 0.00 -1.15 0.00 0.00 33.47 29.63 3ibf s TRP 532 CO 0.02 0.25 0.38 0.50 0.02 0.00 0.00 176.95 178.12 3ibf s ARG 533 N -2.36 0.41 -0.17 4.98 3.52 -1.26 -2.44 118.95 121.63 3ibf s ARG 533 Ca 0.47 0.64 -0.16 0.00 -0.13 0.00 0.00 55.73 56.55 3ibf s ARG 533 Cb -0.14 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 3ibf s ARG 533 CO 0.20 -0.11 0.40 -1.12 -0.81 0.00 0.00 175.30 173.86 3ibf s SER 534 N 0.78 6.52 0.66 -2.12 0.01 -0.35 -4.88 113.70 114.32 3ibf s SER 534 Ca -0.05 0.61 0.39 0.00 1.31 0.00 0.00 55.95 58.21 3ibf s SER 534 Cb -0.06 -2.24 2.11 0.00 0.21 0.00 0.00 66.02 66.05 3ibf s SER 534 CO -0.06 -0.02 2.21 -0.65 0.41 0.00 0.00 173.24 175.13 3ibf h PRO 535 N 7.02 0.00 0.00 12.44 0.11 -2.02 -0.14 132.00 149.41 3ibf h PRO 535 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3ibf h PRO 535 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3ibf h PRO 535 CO 0.74 0.00 -1.01 0.41 -0.21 0.00 0.00 178.00 177.93 3ibf n GLY 536 N -1.16 -0.03 0.00 -0.55 0.00 -1.26 -4.75 105.19 97.44 3ibf n GLY 536 Ca -0.02 -0.08 0.07 0.00 0.00 0.00 0.00 46.02 45.98 3ibf n GLY 536 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ibf n ARG 537 N -1.54 1.57 0.00 1.61 1.74 -1.06 -5.12 116.66 113.86 3ibf n ARG 537 Ca -0.00 -0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3ibf n ARG 537 Cb 0.08 -1.23 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3ibf n ARG 537 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ibf n GLY 538 N 1.48 -0.00 3.80 -0.13 0.00 -0.09 -4.87 105.19 105.38 3ibf n GLY 538 Ca 0.00 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 43.86 3ibf n GLY 538 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ibf s SER 539 N -1.41 5.29 0.07 1.61 1.04 -1.26 -1.21 113.70 117.82 3ibf s SER 539 Ca 0.00 1.73 -0.35 0.00 0.48 0.00 0.00 55.95 57.81 3ibf s SER 539 Cb 0.00 -2.51 -0.20 0.00 0.10 0.00 0.00 66.02 63.41 3ibf s SER 539 CO 0.00 -1.51 1.60 -0.50 0.98 0.00 0.00 173.24 173.82 3ibf h TRP 540 N -0.47 -1.04 -0.62 5.02 4.06 -1.86 -1.31 115.95 119.74 3ibf h TRP 540 Ca -0.45 -0.02 0.12 0.00 2.06 0.00 0.00 58.89 60.60 3ibf h TRP 540 Cb 1.22 0.35 -0.09 0.00 -1.00 0.00 0.00 29.16 29.64 3ibf h TRP 540 CO 0.60 -0.64 0.14 0.35 -3.56 0.00 0.00 178.44 175.33 3ibf h PHE 541 N -1.11 0.23 -0.29 0.49 3.57 -1.89 -0.54 116.94 117.40 3ibf h PHE 541 Ca -0.11 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.35 3ibf h PHE 541 Cb 0.85 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 3ibf h PHE 541 CO -0.02 -0.03 -0.12 0.28 -2.23 0.00 0.00 178.31 176.19 3ibf h VAL 542 N 0.27 1.29 0.07 1.41 2.07 -1.94 0.97 116.25 120.40 3ibf h VAL 542 Ca 0.33 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.67 3ibf h VAL 542 Cb 0.49 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.69 3ibf h VAL 542 CO -0.41 0.38 -0.33 1.56 0.02 0.00 0.00 177.57 178.79 3ibf h GLN 543 N 0.34 -0.50 0.11 1.57 4.20 -0.77 -0.48 115.11 119.57 3ibf h GLN 543 Ca 0.07 0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.82 3ibf h GLN 543 Cb 0.63 0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.51 3ibf h GLN 543 CO 0.04 -0.34 -0.17 0.00 -0.67 0.00 0.00 178.83 177.69 3ibf h ALA 544 N 0.14 -0.30 0.09 3.87 0.00 -1.06 -1.21 119.26 120.79 3ibf h ALA 544 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3ibf h ALA 544 Cb 0.58 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 3ibf h ALA 544 CO -0.23 -0.70 -0.49 1.25 0.00 0.00 0.00 179.25 179.08 3ibf h LEU 545 N -0.34 -1.47 -1.07 0.00 5.85 -0.55 -0.76 115.31 116.96 3ibf h LEU 545 Ca 0.02 0.16 0.12 0.00 0.84 0.00 0.00 57.88 59.02 3ibf h LEU 545 Cb 0.36 0.55 -0.08 0.00 0.37 0.00 0.00 40.66 41.86 3ibf h LEU 545 CO -0.09 -0.53 0.62 0.00 -0.34 0.00 0.00 178.44 178.10 3ibf h SER 547 N 0.95 -1.03 -0.92 0.00 0.87 -0.45 -0.89 113.55 112.07 3ibf h SER 547 Ca 0.48 0.04 0.05 0.00 -1.23 0.00 0.00 61.79 61.12 3ibf h SER 547 Cb 0.50 0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 62.67 3ibf h SER 547 CO -0.24 -0.73 0.60 0.40 -0.53 0.00 0.00 176.83 176.32 3ibf h ILE 548 N -1.21 1.12 -0.56 2.23 1.08 -0.74 -2.45 117.51 116.97 3ibf h ILE 548 Ca -0.12 -0.38 -0.10 0.00 -0.39 0.00 0.00 64.86 63.87 3ibf h ILE 548 Cb 0.93 -0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.57 3ibf h ILE 548 CO 0.20 0.20 -0.05 -0.07 -0.69 0.00 0.00 178.15 177.75 3ibf h LEU 549 N 1.10 1.00 0.25 1.44 3.38 -0.77 0.25 115.31 121.96 3ibf h LEU 549 Ca 0.38 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3ibf h LEU 549 Cb 0.10 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3ibf h LEU 549 CO -0.13 1.08 -0.37 -0.33 0.09 0.00 0.00 178.44 178.78 3ibf h GLU 550 N 0.92 -0.66 0.21 1.13 5.08 -0.70 0.19 114.58 120.74 3ibf h GLU 550 Ca 0.16 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3ibf h GLU 550 Cb 0.60 0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.00 3ibf h GLU 550 CO 0.04 -0.44 -0.10 1.49 -1.00 0.00 0.00 179.01 179.00 3ibf h GLU 551 N -0.68 -0.27 -0.01 2.33 4.57 -1.34 -3.39 114.58 115.79 3ibf h GLU 551 Ca -0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3ibf h GLU 551 Cb 0.66 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 3ibf h GLU 551 CO -0.14 -0.04 0.00 0.72 -1.18 0.00 0.00 179.01 178.38 3ibf n HIS 552 N -5.13 0.01 -0.45 0.92 8.25 0.86 -4.80 115.22 114.89 3ibf n HIS 552 Ca -0.09 -0.12 0.37 0.00 -0.26 0.00 0.00 57.72 57.62 3ibf n HIS 552 Cb 0.20 -0.01 0.67 0.00 1.12 0.00 0.00 29.99 31.97 3ibf n HIS 552 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 3ibf h GLY 553 N 0.28 0.92 -1.65 -1.41 0.00 -0.65 0.04 103.07 100.60 3ibf h GLY 553 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3ibf h GLY 553 CO 0.00 -0.25 0.00 0.28 0.00 0.00 0.00 176.54 176.57 3ibf n LYS 554 N -4.50 2.19 -0.24 4.80 5.02 -1.26 -4.33 118.16 119.85 3ibf n LYS 554 Ca 0.35 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.88 3ibf n LYS 554 Cb 1.43 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 3ibf n LYS 554 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3ibf n ASP 555 N 1.06 0.10 -4.14 4.39 5.68 -0.06 -4.54 116.55 119.05 3ibf n ASP 555 Ca 0.17 -1.55 -0.21 0.00 -0.50 0.00 0.00 54.79 52.70 3ibf n ASP 555 Cb 0.53 -0.11 -0.14 0.00 -1.14 0.00 0.00 41.12 40.26 3ibf n ASP 555 CO 0.00 0.00 0.00 -0.76 -1.33 0.00 0.00 177.20 175.11 3ibf s LEU 556 N -0.09 2.13 0.47 -2.12 1.43 -0.83 -5.10 118.68 114.57 3ibf s LEU 556 Ca 0.01 -0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 52.49 3ibf s LEU 556 Cb 0.01 -0.66 -0.08 0.00 0.03 0.00 0.00 46.19 45.49 3ibf s LEU 556 CO 0.00 0.08 1.11 -0.70 0.23 0.00 0.00 176.35 177.08 3ibf s GLU 557 N -0.89 3.76 0.30 1.70 -6.30 -1.26 -4.70 118.70 111.31 3ibf s GLU 557 Ca 0.03 1.62 0.06 0.00 -2.50 0.00 0.00 54.97 54.18 3ibf s GLU 557 Cb -0.07 -2.30 0.81 0.00 0.00 0.00 0.00 34.13 32.57 3ibf s GLU 557 CO 0.01 -0.51 1.66 0.97 0.02 0.00 0.00 175.26 177.41 3ibf h ILE 558 N 1.75 0.35 0.00 -3.70 6.09 -1.48 0.45 117.51 120.97 3ibf h ILE 558 Ca -0.49 -0.10 -0.08 0.00 -1.37 0.00 0.00 64.86 62.82 3ibf h ILE 558 Cb 1.24 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 3ibf h ILE 558 CO 0.60 0.05 -0.38 0.24 -3.07 0.00 0.00 178.15 175.59 3ibf h MET 559 N 0.29 0.00 -0.17 2.19 2.86 -1.91 -0.83 114.93 117.35 3ibf h MET 559 Ca 0.60 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 58.15 3ibf h MET 559 Cb 1.24 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.90 3ibf h MET 559 CO -0.61 0.38 -0.24 1.96 1.06 0.00 0.00 176.91 179.45 3ibf h GLN 560 N 0.00 0.47 -0.45 1.72 4.20 -1.30 -0.68 115.11 119.07 3ibf h GLN 560 Ca -0.00 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.46 3ibf h GLN 560 Cb 0.70 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.47 3ibf h GLN 560 CO 0.05 0.86 0.25 0.82 -0.67 0.00 0.00 178.83 180.14 3ibf h ILE 561 N 0.11 1.02 0.00 2.54 2.04 -1.08 -1.24 117.51 120.90 3ibf h ILE 561 Ca 0.02 -0.17 -0.09 0.00 1.00 0.00 0.00 64.86 65.61 3ibf h ILE 561 Cb 0.81 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3ibf h ILE 561 CO 0.06 0.09 -0.45 -0.07 0.00 0.00 0.00 178.15 177.78 3ibf h LEU 562 N 0.51 0.00 -0.42 1.44 3.38 -1.12 -1.27 115.31 117.83 3ibf h LEU 562 Ca 0.18 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3ibf h LEU 562 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3ibf h LEU 562 CO -0.10 0.45 -0.54 0.74 0.09 0.00 0.00 178.44 179.09 3ibf h THR 563 N 0.00 1.30 -0.26 0.22 2.02 -0.84 -0.58 112.91 114.76 3ibf h THR 563 Ca -0.00 -1.75 -0.11 0.00 0.77 0.00 0.00 66.41 65.32 3ibf h THR 563 Cb 1.03 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.11 3ibf h THR 563 CO 0.06 0.56 -0.29 0.03 0.37 0.00 0.00 175.52 176.24 3ibf h ARG 564 N 0.55 0.53 -0.26 6.66 3.08 -0.98 -1.47 114.38 122.49 3ibf h ARG 564 Ca 0.01 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.73 3ibf h ARG 564 Cb 1.11 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 3ibf h ARG 564 CO 0.11 0.77 -0.33 0.28 -1.07 0.00 0.00 179.97 179.73 3ibf h VAL 565 N 0.46 1.29 -0.54 2.04 2.07 -0.97 -1.15 116.25 119.45 3ibf h VAL 565 Ca 0.06 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 3ibf h VAL 565 Cb 0.74 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3ibf h VAL 565 CO 0.06 0.46 0.27 0.78 0.02 0.00 0.00 177.57 179.15 3ibf h ASN 566 N 0.47 0.69 -0.46 0.57 2.35 -0.56 -1.87 115.58 116.77 3ibf h ASN 566 Ca 0.05 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3ibf h ASN 566 Cb 0.80 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.97 3ibf h ASN 566 CO 0.07 0.62 0.12 -0.78 -1.65 0.00 0.00 177.43 175.81 3ibf h ASP 567 N 0.72 0.69 -0.05 5.81 3.58 -0.97 -1.87 116.42 124.33 3ibf h ASP 567 Ca 0.19 -0.22 0.00 0.00 0.42 0.00 0.00 57.03 57.41 3ibf h ASP 567 Cb 0.10 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.97 3ibf h ASP 567 CO -0.02 0.73 0.03 -0.09 -2.88 0.00 0.00 179.24 177.01 3ibf h ARG 568 N 0.61 0.07 -0.44 0.28 9.65 -1.02 0.61 114.38 124.15 3ibf h ARG 568 Ca 0.15 -0.00 -0.10 0.00 -1.10 0.00 0.00 59.98 58.92 3ibf h ARG 568 Cb 0.30 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.85 3ibf h ARG 568 CO -0.00 0.06 -0.14 0.28 2.80 0.00 0.00 179.97 182.97 3ibf h VAL 569 N 0.06 1.26 -0.50 0.20 2.07 -1.35 -1.50 116.25 116.49 3ibf h VAL 569 Ca 0.02 -1.22 -0.13 0.00 0.82 0.00 0.00 66.70 66.19 3ibf h VAL 569 Cb 0.00 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3ibf h VAL 569 CO -0.00 0.42 -0.18 0.00 0.02 0.00 0.00 177.57 177.82 3ibf h ALA 570 N 1.12 0.70 -2.33 1.67 0.00 -1.11 -3.29 119.26 116.02 3ibf h ALA 570 Ca 0.12 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3ibf h ALA 570 Cb 0.64 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3ibf h ALA 570 CO 0.04 0.67 0.00 0.54 0.00 0.00 0.00 179.25 180.50 3ibf n ARG 571 N -4.13 0.00 -0.61 0.00 1.74 0.19 -4.59 116.66 109.25 3ibf n ARG 571 Ca 0.00 0.05 0.46 0.00 -0.77 0.00 0.00 57.85 57.60 3ibf n ARG 571 Cb 0.44 -0.34 0.72 0.00 -1.02 0.00 0.00 32.46 32.25 3ibf n ARG 571 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3ibf n HIS 572 N -1.31 0.07 -4.16 -1.55 -0.00 -0.57 -4.64 115.22 103.06 3ibf n HIS 572 Ca 0.00 0.07 -0.25 0.00 0.46 0.00 0.00 57.72 58.01 3ibf n HIS 572 Cb 0.00 -0.51 -0.06 0.00 -0.12 0.00 0.00 29.99 29.30 3ibf n HIS 572 CO 0.00 0.00 0.00 -0.06 0.46 0.00 0.00 176.34 176.74 3ibf s PHE 573 N -4.69 2.99 -0.30 1.57 0.40 -1.24 -5.07 117.98 111.64 3ibf s PHE 573 Ca -0.05 -0.10 -0.15 0.00 -0.60 0.00 0.00 56.93 56.03 3ibf s PHE 573 Cb 0.24 -1.40 0.16 0.00 0.51 0.00 0.00 43.02 42.54 3ibf s PHE 573 CO 0.79 0.53 0.98 -2.00 0.70 0.00 0.00 175.22 176.22 3ibf s GLU 574 N -3.33 0.30 0.94 0.44 2.12 -1.26 -4.80 118.70 113.11 3ibf s GLU 574 Ca 0.30 0.74 -0.12 0.00 0.36 0.00 0.00 54.97 56.26 3ibf s GLU 574 Cb -0.09 0.43 0.15 0.00 0.26 0.00 0.00 34.13 34.88 3ibf s GLU 574 CO 0.22 -0.10 1.09 -1.54 -0.54 0.00 0.00 175.26 174.39 3ibf s SER 575 N 2.38 3.02 -0.39 -1.70 1.04 -0.71 -4.81 113.70 112.53 3ibf s SER 575 Ca -0.03 1.58 0.05 0.00 0.48 0.00 0.00 55.95 58.03 3ibf s SER 575 Cb -0.06 -2.24 0.18 0.00 0.10 0.00 0.00 66.02 64.00 3ibf s SER 575 CO -0.17 -2.94 0.71 0.00 0.98 0.00 0.00 173.24 171.82 3ibf s GLN 576 N -4.82 0.68 0.36 4.02 -2.07 -1.26 -0.11 119.66 116.45 3ibf s GLN 576 Ca 0.65 -0.19 0.08 0.00 -1.82 0.00 0.00 55.36 54.08 3ibf s GLN 576 Cb -0.20 0.09 -0.04 0.00 -1.09 0.00 0.00 33.01 31.78 3ibf s GLN 576 CO 0.58 -1.00 0.22 -1.12 -1.32 0.00 0.00 175.29 172.65 3ibf s SER 577 N 1.92 4.87 0.32 12.60 0.01 -1.25 -4.98 113.70 127.20 3ibf s SER 577 Ca 0.16 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.70 3ibf s SER 577 Cb -0.03 -0.75 0.54 0.00 0.21 0.00 0.00 66.02 65.99 3ibf s SER 577 CO -0.09 -0.38 1.98 0.44 0.41 0.00 0.00 173.24 175.60 3ibf h ASP 578 N 1.38 0.84 -3.12 2.44 5.19 -2.02 -3.41 116.42 117.73 3ibf h ASP 578 Ca -0.44 -0.02 -0.54 0.00 -0.62 0.00 0.00 57.03 55.41 3ibf h ASP 578 Cb 1.25 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.55 3ibf h ASP 578 CO 0.62 0.60 0.65 -0.62 -3.12 0.00 0.00 179.24 177.37 3ibf s ASP 579 N -6.35 7.04 0.46 6.45 -1.08 -1.26 -4.93 116.67 117.00 3ibf s ASP 579 Ca -0.11 1.95 0.20 0.00 -0.52 0.00 0.00 52.55 54.07 3ibf s ASP 579 Cb 0.18 -2.57 1.11 0.00 -1.46 0.00 0.00 42.92 40.18 3ibf s ASP 579 CO 0.78 -0.54 1.97 1.55 0.52 0.00 0.00 175.17 179.45 3ibf h PRO 580 N 7.18 0.00 -0.81 4.34 0.13 -1.96 -2.84 132.00 138.05 3ibf h PRO 580 Ca -0.38 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.71 3ibf h PRO 580 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 3ibf h PRO 580 CO 0.85 0.21 0.38 1.25 -0.23 0.00 0.00 178.00 180.45 3ibf h HIS 581 N 0.00 1.17 -0.62 1.56 2.76 -1.93 -2.40 115.15 115.69 3ibf h HIS 581 Ca -0.00 -0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.11 3ibf h HIS 581 Cb 0.44 -0.36 0.00 0.00 1.55 0.00 0.00 27.41 29.04 3ibf h HIS 581 CO 0.00 0.85 0.00 1.19 -1.30 0.00 0.00 177.93 178.67 3ibf n PHE 582 N -4.30 1.63 -3.34 5.26 3.01 -1.11 -4.96 117.46 113.65 3ibf n PHE 582 Ca 0.08 -0.65 -0.38 0.00 1.01 0.00 0.00 57.45 57.51 3ibf n PHE 582 Cb 0.15 -0.32 -0.06 0.00 -0.01 0.00 0.00 39.48 39.24 3ibf n PHE 582 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 3ibf s HIS 583 N -2.12 3.67 -1.25 1.38 2.46 -0.90 -3.95 115.29 114.58 3ibf s HIS 583 Ca 0.52 1.06 -0.05 0.00 0.47 0.00 0.00 55.06 57.05 3ibf s HIS 583 Cb 0.35 -2.47 -0.01 0.00 -0.13 0.00 0.00 32.58 30.32 3ibf s HIS 583 CO 0.22 0.43 0.72 0.39 -2.47 0.00 0.00 174.74 174.03 3ibf n GLU 584 N 2.56 -3.66 -4.05 2.88 1.02 0.84 -4.92 120.64 115.30 3ibf n GLU 584 Ca -0.10 0.60 -0.26 0.00 -0.02 0.00 0.00 57.16 57.38 3ibf n GLU 584 Cb 0.52 -4.97 -0.05 0.00 -0.02 0.00 0.00 31.44 26.92 3ibf n GLU 584 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3ibf s LYS 585 N -5.84 3.01 0.39 3.49 -0.14 -1.25 -4.79 119.74 114.61 3ibf s LYS 585 Ca 0.16 -0.82 0.08 0.00 -1.36 0.00 0.00 55.97 54.03 3ibf s LYS 585 Cb -0.04 -2.71 -0.04 0.00 -1.68 0.00 0.00 37.83 33.36 3ibf s LYS 585 CO 0.82 0.49 0.26 0.15 -0.76 0.00 0.00 175.35 176.31 3ibf s LYS 586 N -3.14 2.41 -0.05 1.68 -0.14 -1.26 -1.74 119.74 117.50 3ibf s LYS 586 Ca 0.32 -1.62 -0.06 0.00 -1.36 0.00 0.00 55.97 53.25 3ibf s LYS 586 Cb -0.10 -2.21 0.01 0.00 -1.68 0.00 0.00 37.83 33.85 3ibf s LYS 586 CO 0.24 -0.08 0.15 -1.14 -0.76 0.00 0.00 175.35 173.76 3ibf s GLN 587 N -3.99 0.24 -0.10 1.68 0.74 -1.26 -5.01 119.66 111.96 3ibf s GLN 587 Ca 0.43 0.10 -0.01 0.00 0.05 0.00 0.00 55.36 55.93 3ibf s GLN 587 Cb -0.01 0.11 0.03 0.00 1.10 0.00 0.00 33.01 34.24 3ibf s GLN 587 CO 0.25 -0.04 -0.02 -1.50 -0.55 0.00 0.00 175.29 173.43 3ibf s ILE 588 N -0.20 0.61 1.15 -2.34 1.10 -1.26 -3.43 121.20 116.82 3ibf s ILE 588 Ca -0.03 -0.09 -0.15 0.00 -0.51 0.00 0.00 60.65 59.88 3ibf s ILE 588 Cb -0.02 -0.76 0.26 0.00 0.15 0.00 0.00 42.46 42.09 3ibf s ILE 588 CO 0.00 0.25 1.05 -2.84 -2.11 0.00 0.00 174.94 171.29 3ibf s PRO 589 N 1.87 -0.76 -0.04 3.50 0.02 -1.23 -2.19 135.00 136.18 3ibf s PRO 589 Ca 0.04 0.50 -0.01 0.00 0.02 0.00 0.00 61.00 61.55 3ibf s PRO 589 Cb -0.13 -1.60 0.03 0.00 0.02 0.00 0.00 34.50 32.82 3ibf s PRO 589 CO -0.06 -3.53 0.06 0.00 -0.33 0.00 0.00 177.00 173.14 3ibf s VAL 591 N 1.64 3.49 -0.18 0.00 1.01 -1.26 -0.44 120.40 124.66 3ibf s VAL 591 Ca -0.02 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3ibf s VAL 591 Cb -0.12 -2.48 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3ibf s VAL 591 CO -0.04 0.53 -0.20 -0.69 0.00 0.00 0.00 175.10 174.70 3ibf s VAL 592 N 0.10 2.05 -0.08 2.92 1.01 0.61 -4.99 120.40 122.02 3ibf s VAL 592 Ca -0.03 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.06 3ibf s VAL 592 Cb -0.14 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 3ibf s VAL 592 CO 0.04 0.54 -0.24 -0.55 0.00 0.00 0.00 175.10 174.89 3ibf s SER 593 N 1.27 3.12 -0.06 3.32 0.15 -1.26 -0.76 113.70 119.48 3ibf s SER 593 Ca 0.04 -0.53 0.08 0.00 0.70 0.00 0.00 55.95 56.25 3ibf s SER 593 Cb -0.13 -1.14 0.13 0.00 -1.71 0.00 0.00 66.02 63.17 3ibf s SER 593 CO -0.12 0.20 1.04 0.23 1.20 0.00 0.00 173.24 175.79 3ibf n MET 594 N 3.23 1.94 -1.90 5.44 2.81 0.39 -5.02 117.12 124.01 3ibf n MET 594 Ca -0.18 -1.91 -0.34 0.00 -1.81 0.00 0.00 57.70 53.46 3ibf n MET 594 Cb 0.52 -1.17 0.04 0.00 -0.71 0.00 0.00 33.22 31.90 3ibf n MET 594 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3ibf s LEU 595 N -1.74 3.51 0.00 4.03 1.43 -1.20 -1.12 118.68 123.59 3ibf s LEU 595 Ca 0.14 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.38 3ibf s LEU 595 Cb 0.12 -4.57 0.03 0.00 0.03 0.00 0.00 46.19 41.81 3ibf s LEU 595 CO 0.01 -1.56 0.74 0.35 0.23 0.00 0.00 176.35 176.12 3ibf n THR 596 N -2.04 0.35 -4.05 5.49 -2.24 -1.26 -4.85 114.28 105.67 3ibf n THR 596 Ca 0.11 -0.68 -0.10 0.00 -2.27 0.00 0.00 64.05 61.12 3ibf n THR 596 Cb 0.51 0.85 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 3ibf n THR 596 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3ibf s LYS 597 N -0.47 1.42 0.13 -0.78 -0.14 -1.26 -5.15 119.74 113.49 3ibf s LYS 597 Ca 0.03 -1.35 -0.21 0.00 -1.36 0.00 0.00 55.97 53.09 3ibf s LYS 597 Cb 0.02 0.41 -0.07 0.00 -1.68 0.00 0.00 37.83 36.50 3ibf s LYS 597 CO 0.03 -0.55 0.65 -1.21 -0.76 0.00 0.00 175.35 173.50 3ibf s GLU 598 N -4.05 4.29 -0.21 1.68 2.02 -1.26 -5.05 118.70 116.12 3ibf s GLU 598 Ca 0.27 0.85 -0.04 0.00 0.02 0.00 0.00 54.97 56.06 3ibf s GLU 598 Cb 0.02 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.07 3ibf s GLU 598 CO 0.09 0.57 -0.02 -1.17 0.02 0.00 0.00 175.26 174.75 3ibf s LEU 599 N -1.34 3.08 -0.05 1.80 2.96 -1.26 -5.02 118.68 118.85 3ibf s LEU 599 Ca 0.34 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 54.01 3ibf s LEU 599 Cb -0.20 -1.78 -0.01 0.00 0.50 0.00 0.00 46.19 44.70 3ibf s LEU 599 CO 0.21 0.03 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.74 3ibf s TYR 600 N 1.20 2.13 -2.13 5.38 2.02 -1.26 -1.03 117.35 123.66 3ibf s TYR 600 Ca 0.03 -0.60 0.16 0.00 -0.37 0.00 0.00 57.07 56.29 3ibf s TYR 600 Cb -0.14 -1.41 0.65 0.00 -0.40 0.00 0.00 41.96 40.66 3ibf s TYR 600 CO 0.00 -0.18 1.46 1.19 -1.57 0.00 0.00 175.55 176.46 3ibf n PHE 601 N 2.96 0.21 -4.07 2.71 3.72 -1.26 -4.91 117.46 116.82 3ibf n PHE 601 Ca -0.17 -0.10 -0.03 0.00 -0.05 0.00 0.00 57.45 57.09 3ibf n PHE 601 Cb 0.52 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.06 3ibf n PHE 601 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3ibf n SER 602 N 0.07 1.79 0.00 4.37 3.41 -1.26 -4.99 113.62 117.00 3ibf n SER 602 Ca 0.13 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 3ibf n SER 602 Cb 0.24 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3ibf n SER 602 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88