#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va1 n ASP 530 N 0.00 -1.06 -4.75 7.83 -0.08 -1.26 -4.97 116.55 112.27 1va1 n ASP 530 Ca 0.00 1.33 -0.31 0.00 -1.51 0.00 0.00 54.79 54.30 1va1 n ASP 530 Cb 0.00 -5.20 0.10 0.00 2.34 0.00 0.00 41.12 38.37 1va1 n ASP 530 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1va1 s PRO 531 N -0.78 2.04 0.00 -0.67 0.04 -1.26 -4.91 135.00 129.46 1va1 s PRO 531 Ca -0.26 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1va1 s PRO 531 Cb 0.02 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1va1 s PRO 531 CO 0.78 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1va1 n GLY 532 N -0.87 0.56 3.76 0.56 0.00 -1.26 -5.04 105.19 102.90 1va1 n GLY 532 Ca 0.10 -2.27 -0.40 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.13 4.78 0.22 1.61 -2.85 -1.26 -5.07 119.74 117.04 1va1 s LYS 533 Ca 0.00 1.40 0.10 0.00 -1.00 0.00 0.00 55.97 56.47 1va1 s LYS 533 Cb 0.00 -3.25 -0.04 0.00 -2.06 0.00 0.00 37.83 32.48 1va1 s LYS 533 CO 0.00 0.52 -0.11 0.15 0.10 0.00 0.00 175.35 176.01 1va1 s LYS 534 N -1.23 1.98 0.39 1.78 1.02 -1.26 -5.15 119.74 117.28 1va1 s LYS 534 Ca 0.40 -1.42 0.04 0.00 0.02 0.00 0.00 55.97 55.01 1va1 s LYS 534 Cb -0.25 -2.05 -0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1va1 s LYS 534 CO 0.30 0.40 0.14 -1.59 -0.92 0.00 0.00 175.35 173.68 1va1 s LYS 535 N -3.12 1.89 0.02 1.68 -2.85 -1.26 -5.18 119.74 110.92 1va1 s LYS 535 Ca 0.27 -2.14 -0.13 0.00 -1.00 0.00 0.00 55.97 52.96 1va1 s LYS 535 Cb -0.07 -0.51 0.02 0.00 -2.06 0.00 0.00 37.83 35.20 1va1 s LYS 535 CO 0.16 -0.48 0.28 -0.65 0.10 0.00 0.00 175.35 174.75 1va1 s GLN 536 N -3.70 0.72 -0.30 1.78 1.11 -1.26 -5.06 119.66 112.94 1va1 s GLN 536 Ca 0.26 -0.39 -0.25 0.00 0.01 0.00 0.00 55.36 54.99 1va1 s GLN 536 Cb 0.03 0.31 0.01 0.00 -1.01 0.00 0.00 33.01 32.34 1va1 s GLN 536 CO 0.16 -0.21 0.88 -1.01 0.01 0.00 0.00 175.29 175.12 1va1 s HIS 537 N -1.98 3.20 0.07 0.91 3.76 -1.21 -5.03 115.29 115.01 1va1 s HIS 537 Ca -0.09 0.96 0.09 0.00 -0.15 0.00 0.00 55.06 55.87 1va1 s HIS 537 Cb -0.03 -3.34 -0.03 0.00 1.11 0.00 0.00 32.58 30.29 1va1 s HIS 537 CO 0.00 -0.61 -0.25 0.42 -0.85 0.00 0.00 174.74 173.46 1va1 s ILE 538 N 3.15 2.00 0.05 0.60 1.01 -1.26 -3.46 121.20 123.29 1va1 s ILE 538 Ca 0.37 -1.42 -0.30 0.00 0.00 0.00 0.00 60.65 59.29 1va1 s ILE 538 Cb -0.14 -1.74 -0.09 0.00 0.01 0.00 0.00 42.46 40.51 1va1 s ILE 538 CO 0.13 0.24 1.93 0.00 0.00 0.00 0.00 174.94 177.23 1va1 n HIS 540 N 7.11 2.55 -4.18 0.00 -0.00 -1.26 -4.91 115.22 114.54 1va1 n HIS 540 Ca 0.19 -1.59 -0.18 0.00 -0.00 0.00 0.00 57.72 56.14 1va1 n HIS 540 Cb 0.40 -0.82 -0.12 0.00 -0.00 0.00 0.00 29.99 29.46 1va1 n HIS 540 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 1va1 s ILE 541 N -2.76 1.12 -0.77 1.59 1.01 -1.26 -5.04 121.20 115.09 1va1 s ILE 541 Ca 0.48 -1.36 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 1va1 s ILE 541 Cb 0.40 -1.13 -0.12 0.00 0.01 0.00 0.00 42.46 41.62 1va1 s ILE 541 CO 0.09 -0.26 1.94 0.00 0.00 0.00 0.00 174.94 176.72 1va1 n GLN 542 N 1.17 1.60 0.00 2.79 6.02 -1.26 -4.22 117.38 123.48 1va1 n GLN 542 Ca -0.20 -1.64 0.00 0.00 -0.01 0.00 0.00 57.00 55.14 1va1 n GLN 542 Cb 0.55 -2.72 0.00 0.00 1.02 0.00 0.00 30.24 29.09 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 4.27 0.19 0.00 1.08 0.00 -1.26 -5.16 105.19 104.30 1va1 n GLY 543 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 5.00 1.51 0.93 0.00 0.00 -1.26 -4.79 105.19 106.58 1va1 n GLY 545 Ca 0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.54 -0.22 -3.68 1.61 2.85 -1.26 -4.98 118.16 111.94 1va1 n LYS 546 Ca -0.00 -0.51 -0.11 0.00 -1.05 0.00 0.00 58.31 56.64 1va1 n LYS 546 Cb 0.84 -0.31 -0.09 0.00 -0.65 0.00 0.00 35.03 34.82 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 -1.57 -0.01 -0.01 0.58 1.01 -1.26 -4.44 120.40 114.70 1va1 s VAL 547 Ca 0.18 0.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 1va1 s VAL 547 Cb -0.01 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.62 1va1 s VAL 547 CO 0.12 0.01 0.16 -0.72 0.00 0.00 0.00 175.10 174.68 1va1 s TYR 548 N 1.08 -0.02 -0.46 5.22 -0.85 -1.22 -5.05 117.35 116.05 1va1 s TYR 548 Ca -0.06 0.00 0.04 0.00 -0.52 0.00 0.00 57.07 56.53 1va1 s TYR 548 Cb -0.06 -0.02 0.64 0.00 0.38 0.00 0.00 41.96 42.91 1va1 s TYR 548 CO -0.10 -0.27 1.91 0.41 -1.52 0.00 0.00 175.55 175.98 1va1 n GLY 549 N 1.68 4.66 3.13 5.49 0.00 -1.26 -3.33 105.19 115.56 1va1 n GLY 549 Ca -0.21 -1.22 -0.11 0.00 0.00 0.00 0.00 46.02 44.48 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 -3.35 0.25 0.53 1.61 1.02 -1.26 -5.02 119.74 113.52 1va1 s LYS 550 Ca 0.57 0.80 0.19 0.00 0.02 0.00 0.00 55.97 57.55 1va1 s LYS 550 Cb 0.48 0.06 1.34 0.00 -0.52 0.00 0.00 37.83 39.18 1va1 s LYS 550 CO 0.09 -0.23 2.13 1.15 -0.92 0.00 0.00 175.35 177.57 1va1 h THR 551 N 6.06 0.91 -0.55 2.17 2.02 -2.00 -1.12 112.91 120.40 1va1 h THR 551 Ca -0.23 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.06 1va1 h THR 551 Cb 1.13 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 68.46 1va1 h THR 551 CO 0.20 0.00 0.38 0.28 0.37 0.00 0.00 175.52 176.74 1va1 h SER 552 N 0.00 0.28 0.73 4.18 0.02 -2.00 0.15 113.55 116.92 1va1 h SER 552 Ca 0.05 0.01 -0.18 0.00 -0.84 0.00 0.00 61.79 60.83 1va1 h SER 552 Cb 0.20 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1va1 h SER 552 CO -0.00 0.17 -0.83 -0.74 -1.14 0.00 0.00 176.83 174.29 1va1 h HIS 553 N 0.31 0.10 -0.24 3.45 2.76 -1.63 -2.85 115.15 117.05 1va1 h HIS 553 Ca 0.26 -0.05 -0.15 0.00 -2.20 0.00 0.00 60.37 58.23 1va1 h HIS 553 Cb 0.60 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.54 1va1 h HIS 553 CO -0.00 0.86 -0.46 1.25 -1.30 0.00 0.00 177.93 178.28 1va1 h LEU 554 N 0.04 0.66 -0.55 0.26 6.46 -0.75 -0.23 115.31 121.20 1va1 h LEU 554 Ca -0.02 -0.32 -0.13 0.00 -0.12 0.00 0.00 57.88 57.29 1va1 h LEU 554 Cb 1.45 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.18 1va1 h LEU 554 CO 0.11 1.03 -0.28 0.08 -0.62 0.00 0.00 178.44 178.76 1va1 h ARG 555 N 0.49 0.87 -0.09 1.25 0.11 -1.09 0.43 114.38 116.36 1va1 h ARG 555 Ca 0.03 -0.39 -0.19 0.00 0.10 0.00 0.00 59.98 59.52 1va1 h ARG 555 Cb 1.00 -0.02 0.01 0.00 1.11 0.00 0.00 29.97 32.07 1va1 h ARG 555 CO 0.09 1.04 -0.69 0.00 0.10 0.00 0.00 179.97 180.51 1va1 h ALA 556 N 0.94 0.21 -0.04 0.08 0.00 -1.42 -2.73 119.26 116.30 1va1 h ALA 556 Ca 0.09 -0.58 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 1va1 h ALA 556 Cb 0.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1va1 h ALA 556 CO 0.07 0.53 -0.75 1.25 0.00 0.00 0.00 179.25 180.35 1va1 h HIS 557 N 0.28 0.33 -0.28 0.00 -0.00 -1.01 -3.18 115.15 111.29 1va1 h HIS 557 Ca -0.06 -0.15 -0.03 0.00 -0.00 0.00 0.00 60.37 60.12 1va1 h HIS 557 Cb 1.34 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 28.69 1va1 h HIS 557 CO 0.11 0.90 0.04 1.25 -0.00 0.00 0.00 177.93 180.23 1va1 h LEU 558 N 0.16 0.44 -2.02 0.26 5.85 -0.16 -2.65 115.31 117.19 1va1 h LEU 558 Ca -0.03 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1va1 h LEU 558 Cb 1.32 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1va1 h LEU 558 CO 0.12 0.59 0.05 0.08 -0.34 0.00 0.00 178.44 178.94 1va1 h ARG 559 N 0.27 0.00 -0.54 1.25 0.11 -1.52 -1.51 114.38 112.44 1va1 h ARG 559 Ca 0.08 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.06 1va1 h ARG 559 Cb 0.34 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.40 1va1 h ARG 559 CO 0.01 0.00 -0.08 2.35 0.10 0.00 0.00 179.97 182.34 1va1 h TRP 560 N 0.00 1.13 -0.31 4.08 7.01 -1.45 -3.12 115.95 123.28 1va1 h TRP 560 Ca 0.04 -0.23 -0.02 0.00 2.11 0.00 0.00 58.89 60.79 1va1 h TRP 560 Cb 0.14 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1va1 h TRP 560 CO 0.00 1.04 0.10 0.45 -2.79 0.00 0.00 178.44 177.24 1va1 h HIS 561 N 0.89 0.50 -3.68 2.65 3.86 -1.11 -3.43 115.15 114.83 1va1 h HIS 561 Ca 0.14 -0.05 -0.50 0.00 -1.16 0.00 0.00 60.37 58.80 1va1 h HIS 561 Cb 0.64 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1va1 h HIS 561 CO 0.05 0.51 0.38 -0.08 0.86 0.00 0.00 177.93 179.65 1va1 s THR 562 N -5.42 4.09 0.00 2.45 -1.32 -1.03 -4.25 115.64 110.16 1va1 s THR 562 Ca -0.13 1.95 0.00 0.00 -1.21 0.00 0.00 61.69 62.30 1va1 s THR 562 Cb 0.09 -4.24 0.00 0.00 -1.51 0.00 0.00 72.50 66.83 1va1 s THR 562 CO 0.74 0.40 0.00 0.61 -2.21 0.00 0.00 174.62 174.16 1va1 n GLY 563 N 1.73 0.67 0.04 6.08 0.00 -1.26 -4.87 105.19 107.58 1va1 n GLY 563 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 1va1 n GLY 563 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1va1 n GLU 564 N -0.80 0.79 -0.52 1.61 -0.58 -1.26 -5.07 120.64 114.81 1va1 n GLU 564 Ca 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 1va1 n GLU 564 Cb 0.32 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 30.04 1va1 n GLU 564 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52