#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 6.84 1.18 3.17 2.15 -1.26 -5.04 116.67 123.71 1va1 s ASP 530 Ca 0.00 2.30 -0.16 0.00 0.43 0.00 0.00 52.55 55.12 1va1 s ASP 530 Cb 0.00 -2.62 0.23 0.00 -0.30 0.00 0.00 42.92 40.23 1va1 s ASP 530 CO 0.00 -0.45 0.84 -0.81 -0.17 0.00 0.00 175.17 174.58 1va1 n PRO 531 N 0.49 -2.55 0.00 4.34 -0.04 -1.26 -5.04 135.00 130.94 1va1 n PRO 531 Ca 0.02 -1.34 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1va1 n PRO 531 Cb 0.46 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 1va1 n PRO 531 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1va1 n GLY 532 N -2.95 3.64 2.99 0.55 0.00 -1.26 -5.12 105.19 103.03 1va1 n GLY 532 Ca 0.12 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.36 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 -4.50 0.95 0.67 1.61 -2.85 -1.26 -5.15 119.74 109.22 1va1 s LYS 533 Ca 0.00 -0.28 -0.11 0.00 -1.00 0.00 0.00 55.97 54.58 1va1 s LYS 533 Cb 0.00 -0.89 -0.01 0.00 -2.06 0.00 0.00 37.83 34.87 1va1 s LYS 533 CO 0.00 0.09 1.07 0.15 0.10 0.00 0.00 175.35 176.75 1va1 s LYS 534 N 0.29 3.20 0.25 1.78 1.02 -1.26 -5.09 119.74 119.92 1va1 s LYS 534 Ca -0.05 0.59 0.09 0.00 0.02 0.00 0.00 55.97 56.63 1va1 s LYS 534 Cb -0.09 -2.05 -0.05 0.00 -0.52 0.00 0.00 37.83 35.12 1va1 s LYS 534 CO 0.01 -0.82 -0.15 0.21 -0.92 0.00 0.00 175.35 173.67 1va1 s LYS 535 N -5.28 1.50 0.21 1.68 2.20 -1.26 -5.16 119.74 113.62 1va1 s LYS 535 Ca 0.57 -1.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.50 1va1 s LYS 535 Cb -0.11 -1.38 -0.05 0.00 -1.51 0.00 0.00 37.83 34.78 1va1 s LYS 535 CO 0.53 0.22 0.05 -0.65 -0.36 0.00 0.00 175.35 175.14 1va1 s GLN 536 N -3.60 1.22 -0.31 4.03 -0.21 -1.26 -4.90 119.66 114.63 1va1 s GLN 536 Ca 0.26 -1.62 -0.00 0.00 0.02 0.00 0.00 55.36 54.02 1va1 s GLN 536 Cb -0.02 -0.19 0.06 0.00 1.00 0.00 0.00 33.01 33.86 1va1 s GLN 536 CO 0.11 -0.22 0.00 -1.01 -2.12 0.00 0.00 175.29 172.05 1va1 s HIS 537 N -3.76 3.35 -0.04 0.91 3.76 0.29 -4.91 115.29 114.90 1va1 s HIS 537 Ca 0.30 -2.15 0.02 0.00 -0.15 0.00 0.00 55.06 53.09 1va1 s HIS 537 Cb 0.07 -2.28 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 1va1 s HIS 537 CO 0.08 -0.86 -0.09 0.42 -0.85 0.00 0.00 174.74 173.44 1va1 s ILE 538 N 1.17 3.47 -0.07 0.60 1.01 -1.26 -0.90 121.20 125.22 1va1 s ILE 538 Ca -0.03 -0.64 -0.36 0.00 0.00 0.00 0.00 60.65 59.63 1va1 s ILE 538 Cb -0.20 -2.42 -0.13 0.00 0.01 0.00 0.00 42.46 39.71 1va1 s ILE 538 CO -0.03 0.54 1.75 0.00 0.00 0.00 0.00 174.94 177.21 1va1 n HIS 540 N 5.45 2.64 -4.28 0.00 -0.00 -1.26 -4.66 115.22 113.12 1va1 n HIS 540 Ca 0.22 -2.26 -0.21 0.00 0.46 0.00 0.00 57.72 55.93 1va1 n HIS 540 Cb 0.25 -1.11 -0.12 0.00 -0.12 0.00 0.00 29.99 28.89 1va1 n HIS 540 CO 0.00 0.00 0.00 0.96 0.46 0.00 0.00 176.34 177.76 1va1 s ILE 541 N -3.51 1.57 -1.13 3.57 -5.25 -1.26 -5.06 121.20 110.12 1va1 s ILE 541 Ca 0.51 -1.71 -0.22 0.00 -0.99 0.00 0.00 60.65 58.25 1va1 s ILE 541 Cb 0.41 -1.60 -0.02 0.00 2.95 0.00 0.00 42.46 44.21 1va1 s ILE 541 CO 0.03 -0.28 1.81 -1.58 -1.79 0.00 0.00 174.94 173.13 1va1 s GLN 542 N -2.44 3.08 0.00 0.37 0.74 -1.26 -3.31 119.66 116.84 1va1 s GLN 542 Ca 0.10 -1.21 0.00 0.00 0.05 0.00 0.00 55.36 54.30 1va1 s GLN 542 Cb -0.07 -5.31 0.00 0.00 1.10 0.00 0.00 33.01 28.74 1va1 s GLN 542 CO 0.04 -3.12 0.00 0.41 -0.55 0.00 0.00 175.29 172.07 1va1 n GLY 543 N 6.08 0.86 3.95 2.59 0.00 -1.26 -5.15 105.19 112.26 1va1 n GLY 543 Ca 0.43 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.82 -0.10 0.60 0.00 0.00 -1.26 -4.76 105.19 97.84 1va1 n GLY 545 Ca 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.20 0.18 -4.38 1.61 2.85 -1.26 -4.89 118.16 112.07 1va1 n LYS 546 Ca -0.08 -0.37 -0.21 0.00 -1.05 0.00 0.00 58.31 56.59 1va1 n LYS 546 Cb 0.49 -0.15 -0.10 0.00 -0.65 0.00 0.00 35.03 34.61 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 -0.81 2.00 0.05 0.58 1.01 -1.26 -3.98 120.40 117.98 1va1 s VAL 547 Ca 0.11 -2.19 -0.25 0.00 0.00 0.00 0.00 61.98 59.65 1va1 s VAL 547 Cb -0.00 -2.07 0.06 0.00 0.00 0.00 0.00 36.38 34.36 1va1 s VAL 547 CO 0.07 -0.45 0.58 -0.31 0.00 0.00 0.00 175.10 175.00 1va1 s TYR 548 N -2.56 -0.52 -0.08 5.22 2.02 -0.08 -4.91 117.35 116.44 1va1 s TYR 548 Ca 0.23 0.61 0.12 0.00 -0.37 0.00 0.00 57.07 57.65 1va1 s TYR 548 Cb -0.03 0.42 0.18 0.00 -0.40 0.00 0.00 41.96 42.12 1va1 s TYR 548 CO 0.09 -0.69 1.09 0.41 -1.57 0.00 0.00 175.55 174.88 1va1 n GLY 549 N 0.32 3.21 3.18 0.71 0.00 -1.26 0.11 105.19 111.45 1va1 n GLY 549 Ca -0.18 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.79 0.32 0.19 1.61 2.20 -1.26 -5.01 119.74 116.00 1va1 s LYS 550 Ca 0.20 0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 56.39 1va1 s LYS 550 Cb 0.17 -0.03 0.12 0.00 -1.51 0.00 0.00 37.83 36.58 1va1 s LYS 550 CO 0.02 -0.14 1.56 1.15 -0.36 0.00 0.00 175.35 177.58 1va1 h THR 551 N 5.54 1.28 -0.54 3.43 2.02 -2.00 -2.82 112.91 119.82 1va1 h THR 551 Ca -0.37 -1.50 0.13 0.00 0.77 0.00 0.00 66.41 65.44 1va1 h THR 551 Cb 1.17 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.95 1va1 h THR 551 CO 0.33 0.49 0.38 0.28 0.37 0.00 0.00 175.52 177.37 1va1 h SER 552 N 0.63 0.15 0.85 4.18 0.02 -2.01 0.40 113.55 117.76 1va1 h SER 552 Ca 0.06 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1va1 h SER 552 Cb 0.88 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 1va1 h SER 552 CO 0.08 0.08 -0.52 0.45 -1.14 0.00 0.00 176.83 175.78 1va1 h HIS 553 N 0.16 0.00 -0.34 3.45 3.86 -1.93 -3.06 115.15 117.29 1va1 h HIS 553 Ca 0.26 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.35 1va1 h HIS 553 Cb 0.81 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 1va1 h HIS 553 CO -0.00 0.52 -0.26 -0.07 0.86 0.00 0.00 177.93 178.98 1va1 h LEU 554 N 0.00 0.71 -0.93 2.43 4.07 -0.19 -0.49 115.31 120.92 1va1 h LEU 554 Ca -0.01 -0.27 -0.07 0.00 0.08 0.00 0.00 57.88 57.62 1va1 h LEU 554 Cb 1.09 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.61 1va1 h LEU 554 CO 0.07 0.95 0.06 0.08 -1.08 0.00 0.00 178.44 178.51 1va1 h ARG 555 N 0.60 0.84 0.02 1.13 0.11 -1.36 0.73 114.38 116.45 1va1 h ARG 555 Ca 0.08 -0.21 -0.25 0.00 0.10 0.00 0.00 59.98 59.71 1va1 h ARG 555 Cb 0.76 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.74 1va1 h ARG 555 CO 0.06 0.80 -1.01 0.00 0.10 0.00 0.00 179.97 179.92 1va1 h ALA 556 N 1.27 0.25 0.00 0.08 0.00 -1.50 -3.05 119.26 116.32 1va1 h ALA 556 Ca 0.16 -0.72 -0.17 0.00 0.00 0.00 0.00 54.91 54.18 1va1 h ALA 556 Cb 0.39 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1va1 h ALA 556 CO 0.01 0.77 -0.80 1.25 0.00 0.00 0.00 179.25 180.48 1va1 h HIS 557 N 0.28 0.00 -0.42 0.00 -0.00 -0.85 -3.23 115.15 110.93 1va1 h HIS 557 Ca -0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.16 1va1 h HIS 557 Cb 1.66 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 29.05 1va1 h HIS 557 CO 0.08 0.80 -0.15 -0.07 -0.00 0.00 0.00 177.93 178.59 1va1 h LEU 558 N 0.00 0.77 -2.01 0.26 3.38 0.46 -2.69 115.31 115.48 1va1 h LEU 558 Ca -0.01 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.74 1va1 h LEU 558 Cb 1.45 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.99 1va1 h LEU 558 CO 0.10 0.93 0.05 0.08 0.09 0.00 0.00 178.44 179.69 1va1 h ARG 559 N 0.69 0.00 -0.14 1.13 -0.00 -1.55 -2.17 114.38 112.34 1va1 h ARG 559 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 59.98 60.04 1va1 h ARG 559 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.61 1va1 h ARG 559 CO 0.04 0.00 -0.10 2.35 -0.00 0.00 0.00 179.97 182.26 1va1 h TRP 560 N 0.00 0.37 -0.73 4.08 7.01 -1.59 0.22 115.95 125.31 1va1 h TRP 560 Ca 0.03 -0.10 0.01 0.00 2.11 0.00 0.00 58.89 60.95 1va1 h TRP 560 Cb 0.14 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.08 1va1 h TRP 560 CO 0.00 0.68 0.48 0.45 -2.79 0.00 0.00 178.44 177.25 1va1 h HIS 561 N -0.04 0.90 -0.01 2.65 3.86 -1.39 -2.47 115.15 118.64 1va1 h HIS 561 Ca 0.03 0.02 -0.19 0.00 -1.16 0.00 0.00 60.37 59.07 1va1 h HIS 561 Cb 0.60 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1va1 h HIS 561 CO 0.08 0.55 -0.84 1.79 0.86 0.00 0.00 177.93 180.37 1va1 h THR 562 N 0.96 1.46 -3.71 2.45 1.35 -1.42 -3.39 112.91 110.61 1va1 h THR 562 Ca 0.28 -2.48 -0.75 0.00 -0.55 0.00 0.00 66.41 62.90 1va1 h THR 562 Cb -0.07 2.38 -0.30 0.00 -1.73 0.00 0.00 68.15 68.43 1va1 h THR 562 CO -0.07 0.73 -0.08 -0.83 -0.25 0.00 0.00 175.52 175.01 1va1 s GLY 563 N -4.46 2.61 0.48 5.82 0.00 0.77 -5.05 107.32 107.49 1va1 s GLY 563 Ca -0.04 -3.31 0.06 0.00 0.00 0.00 0.00 44.72 41.44 1va1 s GLY 563 CO 0.83 1.20 0.25 1.85 0.00 0.00 0.00 173.10 177.23 1va1 s GLU 564 N 0.06 2.26 0.00 2.90 -6.30 -1.24 -4.63 118.70 111.75 1va1 s GLU 564 Ca 0.18 -1.98 0.24 0.00 -2.50 0.00 0.00 54.97 50.91 1va1 s GLU 564 Cb -0.14 -1.99 0.22 0.00 0.00 0.00 0.00 34.13 32.22 1va1 s GLU 564 CO -0.07 -0.36 1.28 2.89 0.02 0.00 0.00 175.26 179.03