#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va1 s ASP 530 N 0.00 1.56 -0.74 3.17 1.01 -1.26 -5.09 116.67 115.32 1va1 s ASP 530 Ca 0.00 -0.23 -0.27 0.00 0.71 0.00 0.00 52.55 52.76 1va1 s ASP 530 Cb 0.00 0.14 -0.15 0.00 1.01 0.00 0.00 42.92 43.92 1va1 s ASP 530 CO 0.00 -0.32 2.52 -2.65 0.21 0.00 0.00 175.17 174.93 1va1 n PRO 531 N 5.31 0.53 -3.87 8.23 -0.02 -1.26 -4.69 135.00 139.23 1va1 n PRO 531 Ca -0.06 -0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 1va1 n PRO 531 Cb 0.49 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 6.23 -1.89 3.33 -1.23 0.00 -1.26 -5.17 105.19 105.21 1va1 n GLY 532 Ca 0.51 -1.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.14 1va1 n GLY 532 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1va1 s LYS 533 N -1.84 1.36 -0.01 1.61 0.00 -1.26 -5.09 119.74 114.50 1va1 s LYS 533 Ca 0.00 -1.70 0.02 0.00 0.00 0.00 0.00 55.97 54.29 1va1 s LYS 533 Cb 0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 37.83 37.26 1va1 s LYS 533 CO 0.00 -0.13 -0.07 0.15 0.00 0.00 0.00 175.35 175.29 1va1 s LYS 534 N -3.89 0.70 -0.54 1.78 -0.14 -1.26 -5.04 119.74 111.35 1va1 s LYS 534 Ca 0.30 -0.25 0.01 0.00 -1.36 0.00 0.00 55.97 54.67 1va1 s LYS 534 Cb 0.06 -0.68 0.45 0.00 -1.68 0.00 0.00 37.83 35.99 1va1 s LYS 534 CO 0.10 0.12 1.76 1.63 -0.76 0.00 0.00 175.35 178.20 1va1 n LYS 535 N 3.13 2.99 -3.12 1.68 5.02 -1.26 -4.98 118.16 121.62 1va1 n LYS 535 Ca -0.16 -3.57 -0.40 0.00 -2.02 0.00 0.00 58.31 52.16 1va1 n LYS 535 Cb 0.56 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.23 1va1 n LYS 535 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1va1 s GLN 536 N -3.75 4.22 -0.47 1.97 1.11 -1.26 -4.81 119.66 116.67 1va1 s GLN 536 Ca 0.60 0.63 -0.22 0.00 0.01 0.00 0.00 55.36 56.38 1va1 s GLN 536 Cb 0.48 -3.57 0.03 0.00 -1.01 0.00 0.00 33.01 28.94 1va1 s GLN 536 CO 0.01 -0.22 0.73 -1.01 0.01 0.00 0.00 175.29 174.80 1va1 s HIS 537 N 1.85 3.00 0.02 0.91 3.76 0.12 -4.93 115.29 120.02 1va1 s HIS 537 Ca 0.29 -0.04 0.07 0.00 -0.15 0.00 0.00 55.06 55.23 1va1 s HIS 537 Cb -0.16 -3.58 -0.02 0.00 1.11 0.00 0.00 32.58 29.93 1va1 s HIS 537 CO 0.11 -1.00 -0.21 0.42 -0.85 0.00 0.00 174.74 173.21 1va1 s ILE 538 N 3.11 1.69 0.04 0.60 1.01 -1.26 -0.42 121.20 125.96 1va1 s ILE 538 Ca 0.25 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.51 1va1 s ILE 538 Cb -0.14 -1.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.80 1va1 s ILE 538 CO 0.19 0.32 1.97 0.00 0.00 0.00 0.00 174.94 177.43 1va1 n HIS 540 N 7.48 3.38 -1.65 0.00 -0.00 -1.26 -4.30 115.22 118.87 1va1 n HIS 540 Ca 0.20 -3.04 -0.19 0.00 0.46 0.00 0.00 57.72 55.16 1va1 n HIS 540 Cb 0.41 -0.34 0.10 0.00 -0.12 0.00 0.00 29.99 30.04 1va1 n HIS 540 CO 0.00 0.00 0.00 0.44 0.46 0.00 0.00 176.34 177.24 1va1 n ILE 541 N -0.46 2.79 -3.12 3.57 -5.35 -1.26 -4.92 119.36 110.60 1va1 n ILE 541 Ca 0.41 -3.36 -0.18 0.00 -0.27 0.00 0.00 62.75 59.35 1va1 n ILE 541 Cb 0.55 -0.82 -0.01 0.00 -1.74 0.00 0.00 39.64 37.62 1va1 n ILE 541 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1va1 n GLN 542 N -0.92 -2.75 0.02 6.28 6.02 -1.26 -4.59 117.38 120.17 1va1 n GLN 542 Ca 0.44 0.34 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 1va1 n GLN 542 Cb 0.93 -4.96 0.00 0.00 1.02 0.00 0.00 30.24 27.23 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1va1 n GLY 543 N -0.92 -0.94 1.76 1.08 0.00 -1.26 -5.14 105.19 99.76 1va1 n GLY 543 Ca -0.02 0.20 -0.15 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.40 0.00 0.00 0.00 0.00 -1.26 -4.80 105.19 97.73 1va1 n GLY 545 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.25 -4.84 1.61 2.85 -1.26 -4.91 118.16 111.86 1va1 n LYS 546 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 1va1 n LYS 546 Cb 0.00 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.22 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 -0.52 1.40 0.04 0.58 1.01 -1.26 -4.25 120.40 117.39 1va1 s VAL 547 Ca 0.00 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 1va1 s VAL 547 Cb 0.00 -1.17 0.01 0.00 0.00 0.00 0.00 36.38 35.21 1va1 s VAL 547 CO 0.00 0.40 0.22 -0.31 0.00 0.00 0.00 175.10 175.40 1va1 s TYR 548 N -0.30 0.02 -0.04 5.22 2.02 0.44 -5.00 117.35 119.70 1va1 s TYR 548 Ca 0.04 -0.22 0.12 0.00 -0.37 0.00 0.00 57.07 56.64 1va1 s TYR 548 Cb -0.08 -0.00 0.21 0.00 -0.40 0.00 0.00 41.96 41.69 1va1 s TYR 548 CO -0.00 -0.44 1.10 0.41 -1.57 0.00 0.00 175.55 175.04 1va1 n GLY 549 N 0.68 1.85 3.12 0.71 0.00 -1.26 0.15 105.19 110.44 1va1 n GLY 549 Ca -0.19 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.81 0.23 0.34 1.61 2.20 -1.26 -4.98 119.74 117.07 1va1 s LYS 550 Ca 0.19 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.67 1va1 s LYS 550 Cb 0.19 0.11 0.59 0.00 -1.51 0.00 0.00 37.83 37.22 1va1 s LYS 550 CO -0.05 -0.26 1.98 1.15 -0.36 0.00 0.00 175.35 177.81 1va1 h THR 551 N 6.21 1.18 -0.40 3.43 2.02 -1.98 -1.60 112.91 121.75 1va1 h THR 551 Ca -0.16 -0.37 0.03 0.00 0.77 0.00 0.00 66.41 66.68 1va1 h THR 551 Cb 1.11 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 1va1 h THR 551 CO 0.14 0.18 0.27 0.28 0.37 0.00 0.00 175.52 176.76 1va1 h SER 552 N 0.87 0.36 0.77 4.18 0.02 -2.02 -0.51 113.55 117.21 1va1 h SER 552 Ca 0.23 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.05 1va1 h SER 552 Cb -0.05 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1va1 h SER 552 CO -0.04 0.25 -0.60 0.45 -1.14 0.00 0.00 176.83 175.74 1va1 h HIS 553 N 0.41 0.00 -0.78 3.45 3.86 -1.72 -3.18 115.15 117.20 1va1 h HIS 553 Ca 0.17 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.45 1va1 h HIS 553 Cb 0.15 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.55 1va1 h HIS 553 CO -0.00 0.60 0.46 1.25 0.86 0.00 0.00 177.93 181.10 1va1 h LEU 554 N 0.00 0.69 -0.10 2.43 5.85 -0.89 -2.12 115.31 121.17 1va1 h LEU 554 Ca -0.01 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1va1 h LEU 554 Cb 1.15 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1va1 h LEU 554 CO 0.08 0.43 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.43 1va1 h ARG 555 N 0.82 -0.10 -0.38 1.25 2.43 -1.53 0.30 114.38 117.17 1va1 h ARG 555 Ca 0.35 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.57 1va1 h ARG 555 Cb 0.23 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1va1 h ARG 555 CO -0.20 -0.07 0.26 0.00 -1.51 0.00 0.00 179.97 178.45 1va1 h ALA 556 N 0.97 1.92 0.08 2.80 0.00 -1.55 -1.63 119.26 121.86 1va1 h ALA 556 Ca 0.07 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 1va1 h ALA 556 Cb 0.20 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.91 1va1 h ALA 556 CO -0.16 0.02 -1.13 1.25 0.00 0.00 0.00 179.25 179.23 1va1 h HIS 557 N 0.35 0.59 -0.78 0.00 -0.00 -0.68 -3.28 115.15 111.35 1va1 h HIS 557 Ca 0.16 -0.38 0.00 0.00 -0.00 0.00 0.00 60.37 60.16 1va1 h HIS 557 Cb 0.21 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.54 1va1 h HIS 557 CO -0.00 1.25 0.50 -0.07 -0.00 0.00 0.00 177.93 179.60 1va1 h LEU 558 N 0.15 0.90 -1.88 0.26 -0.00 0.51 -1.65 115.31 113.60 1va1 h LEU 558 Ca -0.12 -0.03 0.02 0.00 -0.00 0.00 0.00 57.88 57.75 1va1 h LEU 558 Cb 1.81 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 42.23 1va1 h LEU 558 CO 0.19 0.67 0.13 0.08 -0.00 0.00 0.00 178.44 179.51 1va1 h ARG 559 N 1.06 0.15 -0.21 1.13 0.11 -1.50 -2.18 114.38 112.94 1va1 h ARG 559 Ca 0.28 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.32 1va1 h ARG 559 Cb -0.09 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 30.94 1va1 h ARG 559 CO -0.06 0.10 -0.00 2.35 0.10 0.00 0.00 179.97 182.46 1va1 h TRP 560 N 0.16 0.40 -0.27 4.08 -0.00 -1.42 -2.90 115.95 116.00 1va1 h TRP 560 Ca 0.08 -0.07 -0.00 0.00 -0.00 0.00 0.00 58.89 58.90 1va1 h TRP 560 Cb 0.12 -0.11 -0.01 0.00 -0.00 0.00 0.00 29.16 29.16 1va1 h TRP 560 CO -0.00 0.56 0.16 0.45 -0.00 0.00 0.00 178.44 179.61 1va1 h HIS 561 N 0.13 0.35 -3.35 2.65 3.86 -1.36 -3.42 115.15 114.02 1va1 h HIS 561 Ca 0.06 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.74 1va1 h HIS 561 Cb 0.40 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 1va1 h HIS 561 CO 0.03 0.24 0.49 0.95 0.86 0.00 0.00 177.93 180.50 1va1 s THR 562 N -5.32 4.17 -0.13 2.45 -4.23 -1.00 -3.99 115.64 107.60 1va1 s THR 562 Ca -0.07 1.64 -0.00 0.00 -1.18 0.00 0.00 61.69 62.08 1va1 s THR 562 Cb 0.17 -4.05 -0.01 0.00 1.34 0.00 0.00 72.50 69.95 1va1 s THR 562 CO 0.71 0.17 0.11 0.61 -0.54 0.00 0.00 174.62 175.69 1va1 n GLY 563 N 2.81 0.59 0.16 3.99 0.00 -1.26 -4.94 105.19 106.53 1va1 n GLY 563 Ca 0.06 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.72 1va1 n GLY 563 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1va1 h GLU 564 N -0.15 0.45 0.00 1.61 4.22 -1.84 -3.51 114.58 115.36 1va1 h GLU 564 Ca -0.07 -0.18 0.00 0.00 0.08 0.00 0.00 59.36 59.19 1va1 h GLU 564 Cb 1.04 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1va1 h GLU 564 CO 0.05 0.69 0.00 0.54 -2.18 0.00 0.00 179.01 178.12