#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 6.16 -0.22 6.12 -1.08 -1.26 -4.95 116.67 121.44 1va1 s ASP 530 Ca 0.00 1.23 -0.29 0.00 -0.52 0.00 0.00 52.55 52.98 1va1 s ASP 530 Cb 0.00 -2.53 -0.03 0.00 -1.46 0.00 0.00 42.92 38.90 1va1 s ASP 530 CO 0.00 -1.50 1.69 -2.16 0.52 0.00 0.00 175.17 173.71 1va1 s PRO 531 N 5.17 3.72 0.00 4.34 0.04 -1.26 -4.74 135.00 142.28 1va1 s PRO 531 Ca 0.72 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1va1 s PRO 531 Cb -0.20 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1va1 s PRO 531 CO 0.32 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 176.38 1va1 n GLY 532 N 4.81 3.46 3.87 0.56 0.00 -1.26 -5.11 105.19 111.53 1va1 n GLY 532 Ca 0.20 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.77 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 -5.02 3.55 0.13 1.61 1.02 -1.26 -5.10 119.74 114.67 1va1 s LYS 533 Ca 0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 55.97 55.94 1va1 s LYS 533 Cb 0.00 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 1va1 s LYS 533 CO 0.00 0.74 0.07 0.15 -0.92 0.00 0.00 175.35 175.39 1va1 s LYS 534 N -1.17 0.93 0.62 1.68 -0.14 -1.26 -5.11 119.74 115.29 1va1 s LYS 534 Ca 0.19 -1.41 0.00 0.00 -1.36 0.00 0.00 55.97 53.38 1va1 s LYS 534 Cb -0.13 0.25 0.00 0.00 -1.68 0.00 0.00 37.83 36.27 1va1 s LYS 534 CO 0.08 -0.27 0.00 1.63 -0.76 0.00 0.00 175.35 176.03 1va1 n LYS 535 N -0.10 -3.49 -2.43 1.68 5.02 -1.26 -4.98 118.16 112.61 1va1 n LYS 535 Ca -0.06 2.83 -0.16 0.00 -2.02 0.00 0.00 58.31 58.90 1va1 n LYS 535 Cb 0.64 -3.93 0.07 0.00 -0.02 0.00 0.00 35.03 31.79 1va1 n LYS 535 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1va1 n GLN 536 N -4.03 0.47 -3.31 1.97 6.02 -1.26 -5.06 117.38 112.18 1va1 n GLN 536 Ca -0.08 -2.37 -0.46 0.00 -0.01 0.00 0.00 57.00 54.09 1va1 n GLN 536 Cb 0.65 -0.30 -0.05 0.00 1.02 0.00 0.00 30.24 31.56 1va1 n GLN 536 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1va1 s HIS 537 N -2.03 3.24 0.11 1.08 3.76 -0.82 -5.00 115.29 115.63 1va1 s HIS 537 Ca 0.50 -1.24 0.09 0.00 -0.15 0.00 0.00 55.06 54.26 1va1 s HIS 537 Cb -0.04 -3.75 -0.04 0.00 1.11 0.00 0.00 32.58 29.87 1va1 s HIS 537 CO 0.32 -1.01 -0.24 0.42 -0.85 0.00 0.00 174.74 173.38 1va1 s ILE 538 N 1.66 1.95 0.12 0.60 1.09 -1.26 -1.62 121.20 123.74 1va1 s ILE 538 Ca 0.04 -1.60 -0.31 0.00 -1.10 0.00 0.00 60.65 57.67 1va1 s ILE 538 Cb -0.29 -1.74 -0.09 0.00 -1.06 0.00 0.00 42.46 39.28 1va1 s ILE 538 CO 0.04 0.03 1.60 0.00 -0.10 0.00 0.00 174.94 176.51 1va1 n HIS 540 N 4.68 2.72 -4.83 0.00 8.25 -1.26 -4.85 115.22 119.93 1va1 n HIS 540 Ca 0.15 -1.75 -0.25 0.00 -0.26 0.00 0.00 57.72 55.60 1va1 n HIS 540 Cb 0.39 -0.89 -0.16 0.00 1.12 0.00 0.00 29.99 30.45 1va1 n HIS 540 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1va1 s ILE 541 N -2.98 1.40 -1.03 1.59 1.01 -1.26 -5.05 121.20 114.88 1va1 s ILE 541 Ca 0.51 -0.73 -0.26 0.00 0.00 0.00 0.00 60.65 60.17 1va1 s ILE 541 Cb 0.42 -1.18 -0.17 0.00 0.01 0.00 0.00 42.46 41.54 1va1 s ILE 541 CO 0.09 0.40 2.14 0.00 0.00 0.00 0.00 174.94 177.57 1va1 s GLN 542 N -0.17 1.56 0.03 2.79 -2.07 -1.26 -3.29 119.66 117.24 1va1 s GLN 542 Ca 0.01 -0.34 0.00 0.00 -1.82 0.00 0.00 55.36 53.21 1va1 s GLN 542 Cb -0.09 -4.99 0.00 0.00 -1.09 0.00 0.00 33.01 26.84 1va1 s GLN 542 CO 0.01 -4.91 0.00 0.41 -1.32 0.00 0.00 175.29 169.48 1va1 n GLY 543 N 6.29 -1.57 2.14 2.60 0.00 -1.26 -5.16 105.19 108.23 1va1 n GLY 543 Ca 0.43 0.62 -0.16 0.00 0.00 0.00 0.00 46.02 46.91 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 0.00 0.00 0.00 0.00 0.00 -1.26 -4.92 105.19 99.01 1va1 n GLY 545 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 2.01 -3.97 1.61 0.00 -1.26 -5.03 118.16 111.52 1va1 n LYS 546 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1va1 n LYS 546 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 34.91 1va1 n LYS 546 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1va1 s VAL 547 N 1.49 0.13 0.04 0.58 1.01 -1.26 -4.51 120.40 117.88 1va1 s VAL 547 Ca 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.10 1va1 s VAL 547 Cb 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 36.38 36.15 1va1 s VAL 547 CO 0.00 -0.40 0.27 -0.31 0.00 0.00 0.00 175.10 174.67 1va1 s TYR 548 N -1.19 -0.06 -0.13 5.22 1.51 -0.64 -5.01 117.35 117.04 1va1 s TYR 548 Ca -0.13 -0.10 0.15 0.00 -1.01 0.00 0.00 57.07 55.98 1va1 s TYR 548 Cb -0.08 0.06 0.32 0.00 -0.11 0.00 0.00 41.96 42.15 1va1 s TYR 548 CO -0.01 -0.49 1.16 0.41 -1.11 0.00 0.00 175.55 175.52 1va1 n GLY 549 N 0.60 4.17 3.14 0.71 0.00 -1.26 -1.94 105.19 110.60 1va1 n GLY 549 Ca -0.19 -1.06 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.45 0.26 0.21 1.61 1.02 -1.26 -5.03 119.74 114.10 1va1 s LYS 550 Ca 0.31 0.78 -0.03 0.00 0.02 0.00 0.00 55.97 57.05 1va1 s LYS 550 Cb 0.30 0.04 0.18 0.00 -0.52 0.00 0.00 37.83 37.82 1va1 s LYS 550 CO -0.03 -0.22 1.59 0.00 -0.92 0.00 0.00 175.35 175.77 1va1 h THR 551 N 6.01 1.29 -0.79 2.17 1.03 -2.01 -2.94 112.91 117.68 1va1 h THR 551 Ca -0.25 -1.50 0.07 0.00 -0.01 0.00 0.00 66.41 64.72 1va1 h THR 551 Cb 1.14 1.43 -0.05 0.00 -1.07 0.00 0.00 68.15 69.60 1va1 h THR 551 CO 0.22 0.48 0.52 0.28 -0.01 0.00 0.00 175.52 177.00 1va1 h SER 552 N 0.56 0.74 0.57 0.00 0.02 -2.03 0.25 113.55 113.67 1va1 h SER 552 Ca 0.06 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1va1 h SER 552 Cb 0.86 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 1va1 h SER 552 CO 0.07 0.48 -0.38 0.45 -1.14 0.00 0.00 176.83 176.31 1va1 h HIS 553 N 0.84 0.00 -0.12 3.45 3.86 -1.95 -2.76 115.15 118.48 1va1 h HIS 553 Ca 0.34 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.56 1va1 h HIS 553 Cb 0.25 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1va1 h HIS 553 CO -0.00 0.38 0.08 1.25 0.86 0.00 0.00 177.93 180.50 1va1 h LEU 554 N 0.00 0.08 -0.28 2.43 5.85 -0.87 -2.14 115.31 120.38 1va1 h LEU 554 Ca -0.00 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1va1 h LEU 554 Cb 0.77 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1va1 h LEU 554 CO 0.05 0.06 0.13 0.08 -0.34 0.00 0.00 178.44 178.42 1va1 h ARG 555 N 0.10 0.41 -0.15 1.25 0.11 -1.46 0.46 114.38 115.10 1va1 h ARG 555 Ca 0.05 -0.06 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 1va1 h ARG 555 Cb 0.08 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 1va1 h ARG 555 CO -0.01 0.39 -0.27 0.00 0.10 0.00 0.00 179.97 180.18 1va1 h ALA 556 N 0.99 1.27 0.04 0.08 0.00 -1.54 -2.64 119.26 117.46 1va1 h ALA 556 Ca 0.10 -0.32 -0.23 0.00 0.00 0.00 0.00 54.91 54.45 1va1 h ALA 556 Cb 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1va1 h ALA 556 CO -0.01 0.49 -1.02 1.25 0.00 0.00 0.00 179.25 179.96 1va1 h HIS 557 N 0.24 0.50 -0.46 0.00 -0.00 -1.06 -3.27 115.15 111.10 1va1 h HIS 557 Ca 0.04 -0.30 -0.02 0.00 -0.00 0.00 0.00 60.37 60.09 1va1 h HIS 557 Cb 0.62 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 1va1 h HIS 557 CO 0.01 1.15 0.22 1.25 -0.00 0.00 0.00 177.93 180.56 1va1 h LEU 558 N 0.16 0.60 -2.01 0.26 7.12 0.18 -2.28 115.31 119.35 1va1 h LEU 558 Ca -0.09 -0.13 0.03 0.00 0.13 0.00 0.00 57.88 57.82 1va1 h LEU 558 Cb 1.68 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 41.65 1va1 h LEU 558 CO 0.17 0.56 0.06 0.08 -0.13 0.00 0.00 178.44 179.18 1va1 h ARG 559 N 0.60 0.00 -0.36 1.25 0.11 -1.55 -0.92 114.38 113.51 1va1 h ARG 559 Ca 0.16 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.15 1va1 h ARG 559 Cb 0.12 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.18 1va1 h ARG 559 CO -0.02 0.00 -0.14 2.35 0.10 0.00 0.00 179.97 182.26 1va1 h TRP 560 N 0.00 0.70 0.00 4.08 7.01 -1.46 -2.65 115.95 123.63 1va1 h TRP 560 Ca 0.04 -0.12 -0.12 0.00 2.11 0.00 0.00 58.89 60.80 1va1 h TRP 560 Cb 0.17 -0.18 -0.02 0.00 -2.10 0.00 0.00 29.16 27.03 1va1 h TRP 560 CO 0.00 0.75 -0.58 0.45 -2.79 0.00 0.00 178.44 176.26 1va1 h HIS 561 N 0.58 0.00 -0.87 2.65 3.86 -1.07 -3.05 115.15 117.26 1va1 h HIS 561 Ca 0.10 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.77 1va1 h HIS 561 Cb 0.57 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 28.79 1va1 h HIS 561 CO 0.02 0.58 0.69 0.25 0.86 0.00 0.00 177.93 180.34 1va1 n THR 562 N -3.84 3.23 -2.30 2.45 -2.24 -1.01 -4.19 114.28 106.39 1va1 n THR 562 Ca -0.01 -2.26 -0.05 0.00 -2.27 0.00 0.00 64.05 59.46 1va1 n THR 562 Cb 0.59 -0.96 0.02 0.00 -2.10 0.00 0.00 70.33 67.87 1va1 n THR 562 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1va1 n GLY 563 N -0.72 1.19 4.00 3.38 0.00 -1.15 -5.00 105.19 106.89 1va1 n GLY 563 Ca 0.54 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 46.27 1va1 n GLY 563 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1va1 s GLU 564 N 0.06 2.12 0.00 1.61 0.41 -1.25 -5.01 118.70 116.65 1va1 s GLU 564 Ca 0.04 -1.20 0.00 0.00 -0.41 0.00 0.00 54.97 53.40 1va1 s GLU 564 Cb 0.20 -2.49 0.00 0.00 -1.78 0.00 0.00 34.13 30.07 1va1 s GLU 564 CO -0.06 -1.04 0.50 0.54 -0.49 0.00 0.00 175.26 174.71