#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va1 h ASP 530 N 0.00 0.00 -2.46 7.83 5.19 -2.10 -3.48 116.42 121.41 1va1 h ASP 530 Ca 0.00 -0.44 -0.45 0.00 -0.62 0.00 0.00 57.03 55.51 1va1 h ASP 530 Cb 0.00 0.00 0.23 0.00 0.18 0.00 0.00 39.33 39.74 1va1 h ASP 530 CO 0.00 1.18 -0.92 -2.65 -3.12 0.00 0.00 179.24 173.73 1va1 n PRO 531 N -4.53 -1.72 0.00 3.56 -0.02 -1.26 -4.58 135.00 126.45 1va1 n PRO 531 Ca -0.21 -0.48 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 1va1 n PRO 531 Cb 0.51 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1va1 n PRO 531 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1va1 n GLY 532 N 1.88 3.61 3.24 -1.23 0.00 -1.26 -5.09 105.19 106.33 1va1 n GLY 532 Ca 0.01 -0.71 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 1va1 n GLY 532 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va1 s LYS 533 N 0.00 1.08 0.56 1.61 -0.14 -1.26 -5.17 119.74 116.41 1va1 s LYS 533 Ca 0.00 -1.38 -0.03 0.00 -1.36 0.00 0.00 55.97 53.20 1va1 s LYS 533 Cb 0.00 0.30 0.01 0.00 -1.68 0.00 0.00 37.83 36.47 1va1 s LYS 533 CO 0.00 -0.35 0.83 0.15 -0.76 0.00 0.00 175.35 175.21 1va1 s LYS 534 N -4.04 2.82 0.07 1.68 -0.14 -1.26 -5.12 119.74 113.75 1va1 s LYS 534 Ca 0.24 -0.29 -0.01 0.00 -1.36 0.00 0.00 55.97 54.56 1va1 s LYS 534 Cb 0.06 -2.37 -0.04 0.00 -1.68 0.00 0.00 37.83 33.79 1va1 s LYS 534 CO 0.03 -0.64 -0.02 -1.59 -0.76 0.00 0.00 175.35 172.37 1va1 s LYS 535 N -4.86 0.67 -0.18 1.68 0.00 -1.26 -5.15 119.74 110.65 1va1 s LYS 535 Ca 0.53 -1.26 -0.10 0.00 0.00 0.00 0.00 55.97 55.14 1va1 s LYS 535 Cb -0.10 0.18 -0.05 0.00 0.00 0.00 0.00 37.83 37.85 1va1 s LYS 535 CO 0.42 -0.12 0.16 1.14 0.00 0.00 0.00 175.35 176.94 1va1 s GLN 536 N -3.93 4.06 -0.32 1.78 -2.07 -1.26 -4.93 119.66 112.99 1va1 s GLN 536 Ca 0.10 -0.16 -0.22 0.00 -1.82 0.00 0.00 55.36 53.26 1va1 s GLN 536 Cb 0.08 -3.38 0.00 0.00 -1.09 0.00 0.00 33.01 28.62 1va1 s GLN 536 CO -0.08 0.38 0.73 -1.01 -1.32 0.00 0.00 175.29 174.00 1va1 s HIS 537 N 0.11 3.18 0.08 9.60 3.76 -1.11 -5.01 115.29 125.90 1va1 s HIS 537 Ca 0.11 0.66 0.07 0.00 -0.15 0.00 0.00 55.06 55.75 1va1 s HIS 537 Cb -0.12 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 1va1 s HIS 537 CO 0.00 -0.58 -0.14 0.42 -0.85 0.00 0.00 174.74 173.59 1va1 s ILE 538 N 2.88 3.13 -0.05 0.60 1.01 -1.26 -3.26 121.20 124.24 1va1 s ILE 538 Ca 0.30 -1.25 -0.29 0.00 0.00 0.00 0.00 60.65 59.40 1va1 s ILE 538 Cb -0.14 -2.41 -0.07 0.00 0.01 0.00 0.00 42.46 39.84 1va1 s ILE 538 CO 0.13 0.20 2.01 0.00 0.00 0.00 0.00 174.94 177.28 1va1 n HIS 540 N 8.76 1.57 -4.35 0.00 1.44 -1.26 -4.88 115.22 116.50 1va1 n HIS 540 Ca 0.23 -0.88 -0.27 0.00 -2.01 0.00 0.00 57.72 54.79 1va1 n HIS 540 Cb 0.42 -0.51 -0.13 0.00 0.12 0.00 0.00 29.99 29.89 1va1 n HIS 540 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1va1 s ILE 541 N -2.04 2.04 -0.87 0.61 -1.09 -1.26 -5.03 121.20 113.57 1va1 s ILE 541 Ca 0.34 -1.68 -0.13 0.00 -2.23 0.00 0.00 60.65 56.95 1va1 s ILE 541 Cb 0.27 -1.83 -0.09 0.00 -1.58 0.00 0.00 42.46 39.23 1va1 s ILE 541 CO 0.08 0.03 2.04 0.00 -1.23 0.00 0.00 174.94 175.85 1va1 n GLN 542 N 0.97 1.87 0.00 2.79 10.64 -1.26 -4.18 117.38 128.21 1va1 n GLN 542 Ca -0.19 -1.65 0.00 0.00 -1.83 0.00 0.00 57.00 53.33 1va1 n GLN 542 Cb 0.53 -2.67 0.00 0.00 -0.86 0.00 0.00 30.24 27.24 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1va1 n GLY 543 N 4.09 0.07 0.99 2.61 0.00 -1.26 -5.16 105.19 106.52 1va1 n GLY 543 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 1va1 n GLY 543 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1va1 n GLY 545 N 3.35 1.71 0.85 0.00 0.00 -1.26 -4.72 105.19 105.11 1va1 n GLY 545 Ca -0.05 -0.90 -0.07 0.00 0.00 0.00 0.00 46.02 44.99 1va1 n GLY 545 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1va1 n LYS 546 N -0.59 -1.77 -3.71 1.61 2.85 -1.26 -4.92 118.16 110.37 1va1 n LYS 546 Ca 0.03 -0.42 -0.12 0.00 -1.05 0.00 0.00 58.31 56.75 1va1 n LYS 546 Cb 0.85 -0.42 -0.10 0.00 -0.65 0.00 0.00 35.03 34.71 1va1 n LYS 546 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1va1 s VAL 547 N -1.45 -0.01 -0.04 0.58 1.01 -1.26 -4.41 120.40 114.83 1va1 s VAL 547 Ca 0.17 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 1va1 s VAL 547 Cb -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1va1 s VAL 547 CO 0.13 0.02 0.25 -0.72 0.00 0.00 0.00 175.10 174.78 1va1 s TYR 548 N 0.78 -0.16 -0.46 5.22 -0.85 -1.20 -5.05 117.35 115.64 1va1 s TYR 548 Ca -0.04 0.31 0.04 0.00 -0.52 0.00 0.00 57.07 56.86 1va1 s TYR 548 Cb -0.05 0.06 0.59 0.00 0.38 0.00 0.00 41.96 42.94 1va1 s TYR 548 CO -0.06 -0.27 1.83 0.41 -1.52 0.00 0.00 175.55 175.94 1va1 n GLY 549 N 1.90 4.90 3.05 5.49 0.00 -1.26 -2.75 105.19 116.52 1va1 n GLY 549 Ca -0.19 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1va1 n GLY 549 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1va1 s LYS 550 N -3.40 0.24 0.53 1.61 2.20 -1.26 -5.02 119.74 114.64 1va1 s LYS 550 Ca 0.56 0.76 0.19 0.00 -0.36 0.00 0.00 55.97 57.12 1va1 s LYS 550 Cb 0.47 -0.09 1.35 0.00 -1.51 0.00 0.00 37.83 38.05 1va1 s LYS 550 CO 0.06 -0.36 2.14 1.79 -0.36 0.00 0.00 175.35 178.62 1va1 h THR 551 N 6.24 0.91 -0.34 3.43 1.35 -2.00 -1.04 112.91 121.45 1va1 h THR 551 Ca -0.16 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.73 1va1 h THR 551 Cb 1.12 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.48 1va1 h THR 551 CO 0.16 0.00 0.23 0.28 -0.25 0.00 0.00 175.52 175.94 1va1 h SER 552 N 0.00 0.30 0.61 5.36 0.02 -2.00 -1.19 113.55 116.64 1va1 h SER 552 Ca 0.04 -0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.79 1va1 h SER 552 Cb 0.15 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 1va1 h SER 552 CO -0.00 0.21 -0.86 -0.74 -1.14 0.00 0.00 176.83 174.30 1va1 h HIS 553 N 0.35 0.25 -0.71 3.45 2.76 -1.62 -3.23 115.15 116.40 1va1 h HIS 553 Ca 0.14 -0.14 0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1va1 h HIS 553 Cb 0.13 -0.03 -0.06 0.00 1.55 0.00 0.00 27.41 29.00 1va1 h HIS 553 CO -0.00 0.95 0.41 1.25 -1.30 0.00 0.00 177.93 179.24 1va1 h LEU 554 N 0.10 0.62 0.13 0.26 6.46 -1.16 -1.38 115.31 120.35 1va1 h LEU 554 Ca -0.04 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.75 1va1 h LEU 554 Cb 1.49 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 41.31 1va1 h LEU 554 CO 0.13 0.40 -0.09 -0.09 -0.62 0.00 0.00 178.44 178.17 1va1 h ARG 555 N 0.76 -0.21 -0.51 1.25 2.43 -1.54 0.59 114.38 117.14 1va1 h ARG 555 Ca 0.32 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.55 1va1 h ARG 555 Cb 0.17 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1va1 h ARG 555 CO -0.18 -0.14 0.34 0.00 -1.51 0.00 0.00 179.97 178.48 1va1 h ALA 556 N 0.64 1.85 0.18 2.80 0.00 -1.51 -1.55 119.26 121.67 1va1 h ALA 556 Ca -0.01 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1va1 h ALA 556 Cb 0.20 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 17.88 1va1 h ALA 556 CO 0.00 0.07 -1.34 1.25 0.00 0.00 0.00 179.25 179.23 1va1 h HIS 557 N 0.49 0.82 -0.64 0.00 -0.00 -0.74 -3.29 115.15 111.80 1va1 h HIS 557 Ca 0.22 -0.58 0.01 0.00 -0.00 0.00 0.00 60.37 60.02 1va1 h HIS 557 Cb 0.24 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 1va1 h HIS 557 CO -0.00 1.44 0.42 1.25 -0.00 0.00 0.00 177.93 181.04 1va1 h LEU 558 N 0.15 0.72 -2.01 0.26 5.85 0.93 -1.63 115.31 119.58 1va1 h LEU 558 Ca -0.20 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.53 1va1 h LEU 558 Cb 2.04 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.89 1va1 h LEU 558 CO 0.24 0.51 0.06 0.08 -0.34 0.00 0.00 178.44 179.00 1va1 h ARG 559 N 0.85 0.00 -0.36 1.25 0.11 -1.41 -1.46 114.38 113.36 1va1 h ARG 559 Ca 0.24 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.18 1va1 h ARG 559 Cb -0.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.00 1va1 h ARG 559 CO -0.06 0.00 -0.35 2.35 0.10 0.00 0.00 179.97 182.01 1va1 h TRP 560 N 0.00 0.97 -0.37 4.08 2.91 -1.37 -3.16 115.95 119.01 1va1 h TRP 560 Ca 0.04 -0.27 -0.05 0.00 1.13 0.00 0.00 58.89 59.74 1va1 h TRP 560 Cb 0.16 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.58 1va1 h TRP 560 CO 0.00 1.05 0.03 0.45 -1.03 0.00 0.00 178.44 178.94 1va1 h HIS 561 N 0.69 0.68 -2.34 2.65 3.86 -1.06 -3.41 115.15 116.23 1va1 h HIS 561 Ca 0.07 -0.11 -0.53 0.00 -1.16 0.00 0.00 60.37 58.64 1va1 h HIS 561 Cb 0.90 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.16 1va1 h HIS 561 CO 0.05 0.71 1.30 0.95 0.86 0.00 0.00 177.93 181.80 1va1 s THR 562 N -5.08 3.44 0.00 2.45 -4.23 -0.98 -4.14 115.64 107.11 1va1 s THR 562 Ca -0.13 0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 1va1 s THR 562 Cb 0.09 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1va1 s THR 562 CO 0.78 -0.70 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1va1 n GLY 563 N 5.55 0.78 0.64 3.99 0.00 -1.26 -4.93 105.19 109.94 1va1 n GLY 563 Ca 0.21 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 1va1 n GLY 563 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1va1 n GLU 564 N 0.00 0.24 0.00 1.61 1.02 -1.26 -5.04 120.64 117.21 1va1 n GLU 564 Ca 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1va1 n GLU 564 Cb 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 1va1 n GLU 564 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85