#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 -0.04 -2.98 7.83 3.32 -2.08 -3.45 116.42 119.02 1va1 h ASP 530 Ca 0.00 -0.64 -0.51 0.00 0.02 0.00 0.00 57.03 55.90 1va1 h ASP 530 Cb 0.00 0.01 0.22 0.00 0.22 0.00 0.00 39.33 39.78 1va1 h ASP 530 CO 0.00 0.74 -0.80 -2.65 -1.72 0.00 0.00 179.24 174.80 1va1 n PRO 531 N -4.73 -0.72 0.00 3.56 -0.02 -1.26 -3.88 135.00 127.96 1va1 n PRO 531 Ca -0.08 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 1va1 n PRO 531 Cb 0.33 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 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 1.75 2.38 3.70 -1.23 0.00 -1.26 -4.86 105.19 105.68 1va1 n GLY 532 Ca 0.04 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1va1 n GLY 532 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1va1 s LYS 533 N 0.00 4.48 0.01 1.61 2.47 -1.25 -5.04 119.74 122.02 1va1 s LYS 533 Ca 0.00 1.52 0.04 0.00 -1.56 0.00 0.00 55.97 55.96 1va1 s LYS 533 Cb 0.00 -3.47 -0.01 0.00 -1.46 0.00 0.00 37.83 32.89 1va1 s LYS 533 CO 0.00 -0.20 -0.11 0.21 0.16 0.00 0.00 175.35 175.41 1va1 s LYS 534 N 1.37 0.81 -0.04 4.03 2.20 -1.26 -4.88 119.74 121.98 1va1 s LYS 534 Ca 0.53 -0.54 -0.22 0.00 -0.36 0.00 0.00 55.97 55.39 1va1 s LYS 534 Cb -0.23 -0.77 -0.05 0.00 -1.51 0.00 0.00 37.83 35.27 1va1 s LYS 534 CO 0.25 0.20 0.63 0.15 -0.36 0.00 0.00 175.35 176.23 1va1 s LYS 535 N -0.70 4.38 0.75 4.03 3.01 -1.26 -5.07 119.74 124.87 1va1 s LYS 535 Ca 0.01 0.78 -0.04 0.00 -1.01 0.00 0.00 55.97 55.72 1va1 s LYS 535 Cb -0.06 -3.39 0.12 0.00 -1.01 0.00 0.00 37.83 33.49 1va1 s LYS 535 CO 0.00 0.23 1.04 -0.65 0.51 0.00 0.00 175.35 176.47 1va1 s GLN 536 N 0.27 1.63 -0.06 1.68 -0.21 -1.26 -4.84 119.66 116.87 1va1 s GLN 536 Ca 0.33 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 54.90 1va1 s GLN 536 Cb -0.18 -2.24 -0.02 0.00 1.00 0.00 0.00 33.01 31.57 1va1 s GLN 536 CO 0.17 -1.53 -0.18 -1.01 -2.12 0.00 0.00 175.29 170.62 1va1 s HIS 537 N -3.25 2.61 -0.01 0.91 3.76 0.13 -4.85 115.29 114.59 1va1 s HIS 537 Ca 0.66 -0.45 0.05 0.00 -0.15 0.00 0.00 55.06 55.18 1va1 s HIS 537 Cb -0.06 -1.65 -0.01 0.00 1.11 0.00 0.00 32.58 31.97 1va1 s HIS 537 CO 0.45 -0.03 -0.16 0.42 -0.85 0.00 0.00 174.74 174.57 1va1 s ILE 538 N -0.34 1.28 -0.14 0.60 1.09 -1.26 -2.05 121.20 120.37 1va1 s ILE 538 Ca 0.03 -0.72 -0.29 0.00 -1.10 0.00 0.00 60.65 58.57 1va1 s ILE 538 Cb -0.12 -1.07 -0.07 0.00 -1.06 0.00 0.00 42.46 40.14 1va1 s ILE 538 CO 0.02 0.34 2.13 0.00 -0.10 0.00 0.00 174.94 177.34 1va1 h HIS 540 N 13.30 0.00 -4.23 0.00 2.76 -1.98 -3.43 115.15 121.56 1va1 h HIS 540 Ca -0.44 0.00 -0.52 0.00 -2.20 0.00 0.00 60.37 57.21 1va1 h HIS 540 Cb 1.25 0.00 0.16 0.00 1.55 0.00 0.00 27.41 30.37 1va1 h HIS 540 CO 0.94 0.00 0.32 0.96 -1.30 0.00 0.00 177.93 178.86 1va1 s ILE 541 N -3.18 2.46 -1.24 6.26 -5.25 -1.26 -4.91 121.20 114.08 1va1 s ILE 541 Ca 0.08 0.19 -0.15 0.00 -0.99 0.00 0.00 60.65 59.78 1va1 s ILE 541 Cb 0.08 -2.56 0.14 0.00 2.95 0.00 0.00 42.46 43.08 1va1 s ILE 541 CO 0.63 -0.16 1.53 0.00 -1.79 0.00 0.00 174.94 175.15 1va1 n GLN 542 N -3.32 3.32 0.00 0.37 1.13 -1.26 -4.00 117.38 113.62 1va1 n GLN 542 Ca 0.12 -3.68 0.00 0.00 -1.94 0.00 0.00 57.00 51.50 1va1 n GLN 542 Cb 0.51 -3.17 0.00 0.00 0.11 0.00 0.00 30.24 27.69 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1va1 n GLY 543 N 4.46 -0.15 3.99 1.08 0.00 -1.26 -5.16 105.19 108.15 1va1 n GLY 543 Ca 0.40 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.58 -0.24 0.70 0.00 0.00 -1.26 -4.86 105.19 96.96 1va1 n GLY 545 Ca 0.13 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.23 0.16 -4.09 1.61 2.85 -1.26 -4.98 118.16 112.21 1va1 n LYS 546 Ca -0.06 -0.44 -0.22 0.00 -1.05 0.00 0.00 58.31 56.55 1va1 n LYS 546 Cb 0.50 -0.18 -0.17 0.00 -0.65 0.00 0.00 35.03 34.54 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 -0.90 0.63 -0.29 0.58 1.01 -1.26 -4.45 120.40 115.72 1va1 s VAL 547 Ca 0.13 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 1va1 s VAL 547 Cb -0.01 -0.67 0.14 0.00 0.00 0.00 0.00 36.38 35.85 1va1 s VAL 547 CO 0.09 0.27 0.61 -0.72 0.00 0.00 0.00 175.10 175.34 1va1 s TYR 548 N 1.23 -1.35 -0.91 5.22 1.13 -0.87 -5.01 117.35 116.79 1va1 s TYR 548 Ca -0.06 2.06 -0.02 0.00 -1.41 0.00 0.00 57.07 57.64 1va1 s TYR 548 Cb -0.14 0.68 0.28 0.00 -1.10 0.00 0.00 41.96 41.68 1va1 s TYR 548 CO -0.02 -0.71 2.08 0.41 -2.51 0.00 0.00 175.55 174.81 1va1 n GLY 549 N 5.44 5.57 3.13 5.49 0.00 -1.26 0.21 105.19 123.77 1va1 n GLY 549 Ca -0.09 -2.40 -0.11 0.00 0.00 0.00 0.00 46.02 43.42 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 -3.60 0.24 0.21 1.61 2.20 -1.26 -4.82 119.74 114.33 1va1 s LYS 550 Ca 0.48 0.82 -0.09 0.00 -0.36 0.00 0.00 55.97 56.83 1va1 s LYS 550 Cb 0.32 0.08 0.17 0.00 -1.51 0.00 0.00 37.83 36.88 1va1 s LYS 550 CO -0.26 -0.24 1.84 1.79 -0.36 0.00 0.00 175.35 178.11 1va1 h THR 551 N 6.10 1.24 -0.73 3.43 1.35 -1.99 -1.73 112.91 120.59 1va1 h THR 551 Ca -0.21 -0.59 0.09 0.00 -0.55 0.00 0.00 66.41 65.15 1va1 h THR 551 Cb 1.13 0.16 -0.05 0.00 -1.73 0.00 0.00 68.15 67.66 1va1 h THR 551 CO 0.18 0.27 0.48 0.77 -0.25 0.00 0.00 175.52 176.96 1va1 h SER 552 N 1.12 0.58 0.77 5.36 4.64 -1.99 0.15 113.55 124.18 1va1 h SER 552 Ca 0.28 0.01 -0.17 0.00 -0.47 0.00 0.00 61.79 61.44 1va1 h SER 552 Cb 0.03 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 1va1 h SER 552 CO -0.05 0.35 -0.82 -0.74 -0.87 0.00 0.00 176.83 174.71 1va1 h HIS 553 N 0.65 0.04 -0.08 4.77 6.17 -1.81 -2.75 115.15 122.15 1va1 h HIS 553 Ca 0.33 -0.02 -0.15 0.00 0.71 0.00 0.00 60.37 61.23 1va1 h HIS 553 Cb 0.43 -0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.35 1va1 h HIS 553 CO -0.00 0.83 -0.63 1.25 0.71 0.00 0.00 177.93 180.10 1va1 h LEU 554 N 0.02 0.33 -0.30 0.26 6.46 -0.06 0.30 115.31 122.30 1va1 h LEU 554 Ca -0.01 -0.19 -0.19 0.00 -0.12 0.00 0.00 57.88 57.36 1va1 h LEU 554 Cb 1.44 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 1va1 h LEU 554 CO 0.11 0.87 -0.60 0.08 -0.62 0.00 0.00 178.44 178.28 1va1 h ARG 555 N 0.21 0.81 0.00 1.25 0.11 -0.77 0.29 114.38 116.28 1va1 h ARG 555 Ca -0.01 -0.55 -0.19 0.00 0.10 0.00 0.00 59.98 59.33 1va1 h ARG 555 Cb 1.15 0.08 -0.01 0.00 1.11 0.00 0.00 29.97 32.29 1va1 h ARG 555 CO 0.10 1.17 -0.87 0.00 0.10 0.00 0.00 179.97 180.48 1va1 h ALA 556 N 0.70 0.54 0.06 0.08 0.00 -1.44 -3.01 119.26 116.18 1va1 h ALA 556 Ca -0.00 -0.72 -0.24 0.00 0.00 0.00 0.00 54.91 53.95 1va1 h ALA 556 Cb 1.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1va1 h ALA 556 CO 0.13 0.92 -1.09 1.25 0.00 0.00 0.00 179.25 180.46 1va1 h HIS 557 N 0.10 0.25 -0.69 0.00 -0.00 -0.90 -3.30 115.15 110.61 1va1 h HIS 557 Ca -0.04 -0.18 -0.05 0.00 -0.00 0.00 0.00 60.37 60.10 1va1 h HIS 557 Cb 1.49 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 28.86 1va1 h HIS 557 CO 0.03 1.12 0.22 -0.07 -0.00 0.00 0.00 177.93 179.23 1va1 h LEU 558 N 0.04 1.01 -2.02 0.26 3.38 -0.43 -2.34 115.31 115.22 1va1 h LEU 558 Ca -0.07 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.72 1va1 h LEU 558 Cb 1.83 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1va1 h LEU 558 CO 0.16 0.94 0.07 0.08 0.09 0.00 0.00 178.44 179.78 1va1 h ARG 559 N 1.01 0.00 -0.23 1.13 0.11 -1.60 -0.89 114.38 113.92 1va1 h ARG 559 Ca 0.22 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.17 1va1 h ARG 559 Cb 0.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 1va1 h ARG 559 CO -0.01 0.00 -0.42 2.35 0.10 0.00 0.00 179.97 182.00 1va1 h TRP 560 N 0.00 0.64 -0.08 4.08 2.91 -1.52 -3.01 115.95 118.97 1va1 h TRP 560 Ca 0.04 -0.19 -0.15 0.00 1.13 0.00 0.00 58.89 59.72 1va1 h TRP 560 Cb 0.17 -0.14 -0.01 0.00 -0.51 0.00 0.00 29.16 28.68 1va1 h TRP 560 CO 0.00 0.87 -0.61 0.45 -1.03 0.00 0.00 178.44 178.11 1va1 h HIS 561 N 0.44 0.36 -3.22 2.65 3.86 -1.09 -3.36 115.15 114.79 1va1 h HIS 561 Ca 0.04 -0.14 -0.67 0.00 -1.16 0.00 0.00 60.37 58.44 1va1 h HIS 561 Cb 0.91 -0.06 -0.17 0.00 1.06 0.00 0.00 27.41 29.15 1va1 h HIS 561 CO 0.04 0.82 0.16 0.95 0.86 0.00 0.00 177.93 180.75 1va1 s THR 562 N -3.76 4.77 0.00 2.45 -4.23 -0.85 -4.01 115.64 110.01 1va1 s THR 562 Ca -0.04 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 1va1 s THR 562 Cb 0.12 -4.36 0.00 0.00 1.34 0.00 0.00 72.50 69.60 1va1 s THR 562 CO 0.80 -0.89 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1va1 n GLY 563 N 5.17 1.82 0.05 3.99 0.00 -1.26 -4.85 105.19 110.11 1va1 n GLY 563 Ca -0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.70 1.74 0.00 1.61 0.28 -1.26 -5.06 120.64 117.25 1va1 n GLU 564 Ca 0.00 0.02 0.06 0.00 -0.16 0.00 0.00 57.16 57.08 1va1 n GLU 564 Cb 0.00 -1.26 0.05 0.00 1.43 0.00 0.00 31.44 31.66 1va1 n GLU 564 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51