#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 -1.14 7.83 3.58 -2.07 -3.46 116.42 121.17 1va1 h ASP 530 Ca 0.00 -0.53 -0.63 0.00 0.42 0.00 0.00 57.03 56.28 1va1 h ASP 530 Cb 0.00 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 1va1 h ASP 530 CO 0.00 1.08 1.47 -2.65 -2.88 0.00 0.00 179.24 176.27 1va1 n PRO 531 N -4.57 1.07 0.00 0.28 -0.02 -1.26 -3.97 135.00 126.54 1va1 n PRO 531 Ca -0.17 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1va1 n PRO 531 Cb 0.46 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 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 6.43 0.19 3.49 -1.23 0.00 -1.26 -5.07 105.19 107.75 1va1 n GLY 532 Ca 0.42 -0.05 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 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 3.41 0.47 1.61 1.02 -1.25 -5.08 119.74 119.91 1va1 s LYS 533 Ca 0.00 -0.69 -0.04 0.00 0.02 0.00 0.00 55.97 55.26 1va1 s LYS 533 Cb 0.00 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.56 1va1 s LYS 533 CO 0.00 -0.45 0.75 0.15 -0.92 0.00 0.00 175.35 174.88 1va1 s LYS 534 N 1.68 3.45 0.63 1.68 -0.14 -1.26 -4.98 119.74 120.79 1va1 s LYS 534 Ca 0.05 0.05 -0.00 0.00 -1.36 0.00 0.00 55.97 54.72 1va1 s LYS 534 Cb -0.17 -2.42 0.07 0.00 -1.68 0.00 0.00 37.83 33.62 1va1 s LYS 534 CO 0.09 -0.20 0.88 0.15 -0.76 0.00 0.00 175.35 175.50 1va1 s LYS 535 N -4.69 2.21 -0.02 1.68 -0.14 -1.26 -5.12 119.74 112.41 1va1 s LYS 535 Ca 0.47 -0.84 0.05 0.00 -1.36 0.00 0.00 55.97 54.28 1va1 s LYS 535 Cb -0.10 -2.40 -0.01 0.00 -1.68 0.00 0.00 37.83 33.64 1va1 s LYS 535 CO 0.43 -1.02 -0.17 -0.65 -0.76 0.00 0.00 175.35 173.18 1va1 s GLN 536 N -4.94 1.43 -0.25 1.68 1.11 -1.26 -4.71 119.66 112.72 1va1 s GLN 536 Ca 0.61 -0.60 -0.08 0.00 0.01 0.00 0.00 55.36 55.30 1va1 s GLN 536 Cb -0.09 -1.36 -0.03 0.00 -1.01 0.00 0.00 33.01 30.52 1va1 s GLN 536 CO 0.41 0.34 0.09 -1.01 0.01 0.00 0.00 175.29 175.13 1va1 s HIS 537 N -0.32 3.11 0.18 0.91 3.76 0.31 -4.96 115.29 118.28 1va1 s HIS 537 Ca 0.05 -0.32 0.09 0.00 -0.15 0.00 0.00 55.06 54.73 1va1 s HIS 537 Cb -0.07 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.32 1va1 s HIS 537 CO -0.00 -0.30 -0.18 0.42 -0.85 0.00 0.00 174.74 173.82 1va1 s ILE 538 N 1.57 1.88 0.09 0.60 1.09 -1.26 -1.81 121.20 123.36 1va1 s ILE 538 Ca 0.06 -1.98 -0.31 0.00 -1.10 0.00 0.00 60.65 57.32 1va1 s ILE 538 Cb -0.15 -1.90 -0.11 0.00 -1.06 0.00 0.00 42.46 39.24 1va1 s ILE 538 CO 0.05 -0.33 1.86 0.00 -0.10 0.00 0.00 174.94 176.41 1va1 h HIS 540 N 8.91 0.05 -4.20 0.00 3.86 -1.98 -3.44 115.15 118.35 1va1 h HIS 540 Ca -0.47 -0.00 -0.47 0.00 -1.16 0.00 0.00 60.37 58.26 1va1 h HIS 540 Cb 1.23 -0.01 0.02 0.00 1.06 0.00 0.00 27.41 29.71 1va1 h HIS 540 CO 0.83 0.24 0.38 0.96 0.86 0.00 0.00 177.93 181.19 1va1 s ILE 541 N -4.60 4.54 -0.10 2.45 -4.36 -1.26 -4.97 121.20 112.90 1va1 s ILE 541 Ca -0.04 1.20 0.26 0.00 -0.26 0.00 0.00 60.65 61.81 1va1 s ILE 541 Cb 0.16 -3.73 0.31 0.00 1.25 0.00 0.00 42.46 40.45 1va1 s ILE 541 CO 0.71 -0.72 1.78 1.56 0.24 0.00 0.00 174.94 178.51 1va1 h GLN 542 N 0.84 0.00 -0.11 0.37 4.20 -2.03 -3.32 115.11 115.06 1va1 h GLN 542 Ca -0.47 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.28 1va1 h GLN 542 Cb 1.18 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.90 1va1 h GLN 542 CO 0.61 0.09 -0.42 0.78 -0.67 0.00 0.00 178.83 179.23 1va1 h GLY 543 N 2.85 -0.71 -0.87 3.46 0.00 -1.94 -3.43 103.07 102.43 1va1 h GLY 543 Ca -0.00 0.52 -0.32 0.00 0.00 0.00 0.00 47.33 47.53 1va1 h GLY 543 CO 0.01 -0.23 0.12 0.00 0.00 0.00 0.00 176.54 176.44 1va1 n GLY 545 N -0.42 -0.10 0.49 0.00 0.00 -1.26 -4.90 105.19 99.00 1va1 n GLY 545 Ca 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.38 0.52 -3.83 1.61 2.85 -1.26 -5.02 118.16 112.66 1va1 n LYS 546 Ca -0.06 -0.34 -0.13 0.00 -1.05 0.00 0.00 58.31 56.73 1va1 n LYS 546 Cb 0.57 -0.08 -0.14 0.00 -0.65 0.00 0.00 35.03 34.73 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 -0.19 -0.01 -0.26 0.58 1.01 -1.26 -4.46 120.40 115.82 1va1 s VAL 547 Ca 0.08 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.99 1va1 s VAL 547 Cb -0.00 -0.11 0.09 0.00 0.00 0.00 0.00 36.38 36.36 1va1 s VAL 547 CO 0.06 0.02 0.59 -0.72 0.00 0.00 0.00 175.10 175.04 1va1 s TYR 548 N 0.24 -1.04 -0.63 5.22 1.13 -0.75 -5.01 117.35 116.52 1va1 s TYR 548 Ca -0.02 1.97 -0.02 0.00 -1.41 0.00 0.00 57.07 57.59 1va1 s TYR 548 Cb -0.03 0.58 0.28 0.00 -1.10 0.00 0.00 41.96 41.69 1va1 s TYR 548 CO -0.01 -0.54 2.22 0.41 -2.51 0.00 0.00 175.55 175.13 1va1 n GLY 549 N 4.85 5.10 3.13 5.49 0.00 -1.26 -0.53 105.19 121.97 1va1 n GLY 549 Ca -0.16 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.66 1va1 n GLY 549 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1va1 s LYS 550 N -3.09 0.24 0.17 1.61 1.02 -1.26 -4.95 119.74 113.47 1va1 s LYS 550 Ca 0.54 0.84 -0.12 0.00 0.02 0.00 0.00 55.97 57.25 1va1 s LYS 550 Cb 0.41 0.09 0.06 0.00 -0.52 0.00 0.00 37.83 37.88 1va1 s LYS 550 CO -0.21 -0.25 1.69 1.15 -0.92 0.00 0.00 175.35 176.81 1va1 h THR 551 N 6.15 1.24 -0.54 2.17 2.02 -2.00 -2.28 112.91 119.67 1va1 h THR 551 Ca -0.19 -0.84 0.13 0.00 0.77 0.00 0.00 66.41 66.29 1va1 h THR 551 Cb 1.12 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 1va1 h THR 551 CO 0.16 0.31 0.38 -1.28 0.37 0.00 0.00 175.52 175.46 1va1 h SER 552 N 0.81 0.11 0.86 4.18 0.87 -2.00 0.37 113.55 118.76 1va1 h SER 552 Ca 0.18 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.59 1va1 h SER 552 Cb 0.30 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.22 1va1 h SER 552 CO -0.00 0.06 -0.74 -0.74 -0.53 0.00 0.00 176.83 174.88 1va1 h HIS 553 N 0.12 0.00 -0.28 2.24 2.76 -1.85 -3.03 115.15 115.11 1va1 h HIS 553 Ca 0.26 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.27 1va1 h HIS 553 Cb 0.85 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 1va1 h HIS 553 CO -0.00 0.74 -0.44 1.25 -1.30 0.00 0.00 177.93 178.18 1va1 h LEU 554 N 0.00 0.77 -0.90 0.26 6.46 0.02 -0.91 115.31 121.01 1va1 h LEU 554 Ca -0.01 -0.36 -0.08 0.00 -0.12 0.00 0.00 57.88 57.31 1va1 h LEU 554 Cb 1.37 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.06 1va1 h LEU 554 CO 0.10 1.10 -0.06 0.08 -0.62 0.00 0.00 178.44 179.04 1va1 h ARG 555 N 0.57 0.75 0.00 1.25 0.11 -1.24 0.42 114.38 116.25 1va1 h ARG 555 Ca 0.04 -0.22 -0.20 0.00 0.10 0.00 0.00 59.98 59.70 1va1 h ARG 555 Cb 0.99 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.98 1va1 h ARG 555 CO 0.09 0.80 -0.87 0.00 0.10 0.00 0.00 179.97 180.09 1va1 h ALA 556 N 1.24 0.52 0.01 0.08 0.00 -1.41 -3.02 119.26 116.68 1va1 h ALA 556 Ca 0.13 -0.72 -0.20 0.00 0.00 0.00 0.00 54.91 54.12 1va1 h ALA 556 Cb 0.51 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 1va1 h ALA 556 CO 0.03 0.90 -0.97 1.25 0.00 0.00 0.00 179.25 180.46 1va1 h HIS 557 N 0.12 0.04 -0.56 0.00 -0.00 -0.86 -3.28 115.15 110.60 1va1 h HIS 557 Ca -0.04 -0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.20 1va1 h HIS 557 Cb 1.50 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.88 1va1 h HIS 557 CO 0.03 0.97 -0.04 -0.07 -0.00 0.00 0.00 177.93 178.82 1va1 h LEU 558 N 0.01 0.99 -2.02 0.26 3.38 -0.17 -2.64 115.31 115.12 1va1 h LEU 558 Ca -0.02 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1va1 h LEU 558 Cb 1.70 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.18 1va1 h LEU 558 CO 0.13 1.07 0.06 0.08 0.09 0.00 0.00 178.44 179.87 1va1 h ARG 559 N 0.91 0.00 -0.18 1.13 0.11 -1.59 -0.74 114.38 114.03 1va1 h ARG 559 Ca 0.16 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.11 1va1 h ARG 559 Cb 0.59 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 1va1 h ARG 559 CO 0.04 0.00 -0.45 -1.49 0.10 0.00 0.00 179.97 178.17 1va1 h TRP 560 N 0.00 0.53 -0.09 4.08 4.06 -1.57 -3.16 115.95 119.79 1va1 h TRP 560 Ca 0.04 -0.16 -0.19 0.00 2.06 0.00 0.00 58.89 60.64 1va1 h TRP 560 Cb 0.17 -0.11 0.01 0.00 -1.00 0.00 0.00 29.16 28.23 1va1 h TRP 560 CO 0.00 0.81 -0.70 0.45 -3.56 0.00 0.00 178.44 175.44 1va1 h HIS 561 N 0.36 0.89 -2.96 0.49 3.86 -1.14 -3.41 115.15 113.24 1va1 h HIS 561 Ca 0.03 -0.42 -0.63 0.00 -1.16 0.00 0.00 60.37 58.19 1va1 h HIS 561 Cb 0.93 -0.13 -0.14 0.00 1.06 0.00 0.00 27.41 29.13 1va1 h HIS 561 CO 0.03 1.23 0.49 0.95 0.86 0.00 0.00 177.93 181.49 1va1 s THR 562 N -3.60 4.42 0.00 2.45 -4.23 -0.67 -4.46 115.64 109.55 1va1 s THR 562 Ca -0.11 -0.11 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 1va1 s THR 562 Cb 0.07 -4.58 0.00 0.00 1.34 0.00 0.00 72.50 69.33 1va1 s THR 562 CO 0.87 -1.23 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 1va1 n GLY 563 N 5.22 0.50 1.19 3.99 0.00 -1.26 -4.81 105.19 110.02 1va1 n GLY 563 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1va1 n GLY 563 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1va1 n GLU 564 N -0.09 0.00 0.00 1.61 -0.00 -1.26 -4.89 120.64 116.01 1va1 n GLU 564 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 1va1 n GLU 564 Cb 0.01 -0.04 0.00 0.00 -0.00 0.00 0.00 31.44 31.41 1va1 n GLU 564 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67