#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 6.49 0.34 7.83 -4.77 -1.26 -5.00 116.67 120.30 1va1 s ASP 530 Ca 0.00 2.38 -0.27 0.00 -3.30 0.00 0.00 52.55 51.36 1va1 s ASP 530 Cb 0.00 -2.62 -0.09 0.00 -1.09 0.00 0.00 42.92 39.12 1va1 s ASP 530 CO 0.00 -0.70 1.07 -2.16 0.70 0.00 0.00 175.17 174.08 1va1 s PRO 531 N -2.30 4.40 0.42 2.11 0.04 -1.26 -4.87 135.00 133.54 1va1 s PRO 531 Ca 0.57 1.66 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1va1 s PRO 531 Cb -0.31 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1va1 s PRO 531 CO 0.40 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.88 1va1 n GLY 532 N 0.78 -2.17 3.56 0.56 0.00 -1.26 -5.02 105.19 101.64 1va1 n GLY 532 Ca 0.02 -1.75 -0.26 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.19 1.85 -0.09 1.61 1.02 -1.26 -5.07 119.74 117.61 1va1 s LYS 533 Ca 0.00 -2.02 -0.27 0.00 0.02 0.00 0.00 55.97 53.70 1va1 s LYS 533 Cb 0.00 -1.46 -0.02 0.00 -0.52 0.00 0.00 37.83 35.83 1va1 s LYS 533 CO 0.00 -0.05 0.86 0.15 -0.92 0.00 0.00 175.35 175.39 1va1 s LYS 534 N -3.73 4.42 0.00 1.68 1.02 -1.26 -5.03 119.74 116.83 1va1 s LYS 534 Ca 0.35 1.13 0.00 0.00 0.02 0.00 0.00 55.97 57.47 1va1 s LYS 534 Cb 0.08 -3.51 0.00 0.00 -0.52 0.00 0.00 37.83 33.89 1va1 s LYS 534 CO 0.17 -0.15 0.00 1.63 -0.92 0.00 0.00 175.35 176.08 1va1 n LYS 535 N 4.46 0.72 -3.86 1.68 4.01 -1.26 -5.15 118.16 118.76 1va1 n LYS 535 Ca 0.04 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.57 1va1 n LYS 535 Cb 0.50 0.00 -0.17 0.00 -0.51 0.00 0.00 35.03 34.85 1va1 n LYS 535 CO 0.00 0.00 0.00 1.14 -1.11 0.00 0.00 177.40 177.43 1va1 s GLN 536 N -1.95 1.24 -0.52 1.97 -2.07 -1.26 -4.52 119.66 112.54 1va1 s GLN 536 Ca 0.00 -0.36 -0.13 0.00 -1.82 0.00 0.00 55.36 53.05 1va1 s GLN 536 Cb 0.00 -1.77 0.13 0.00 -1.09 0.00 0.00 33.01 30.27 1va1 s GLN 536 CO 0.00 -0.40 0.44 -1.01 -1.32 0.00 0.00 175.29 173.00 1va1 s HIS 537 N 1.73 3.33 0.42 9.60 3.76 -1.03 -4.97 115.29 128.13 1va1 s HIS 537 Ca 0.02 -1.54 -0.21 0.00 -0.15 0.00 0.00 55.06 53.18 1va1 s HIS 537 Cb -0.14 -3.68 -0.11 0.00 1.11 0.00 0.00 32.58 29.76 1va1 s HIS 537 CO -0.07 -1.01 0.95 0.42 -0.85 0.00 0.00 174.74 174.17 1va1 s ILE 538 N 1.48 4.38 0.59 0.60 1.01 -1.26 -3.08 121.20 124.91 1va1 s ILE 538 Ca 0.04 1.51 -0.20 0.00 0.00 0.00 0.00 60.65 62.01 1va1 s ILE 538 Cb -0.28 -3.64 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 1va1 s ILE 538 CO 0.01 -0.27 1.34 0.00 0.00 0.00 0.00 174.94 176.02 1va1 h HIS 540 N 1.09 -0.10 -4.20 0.00 3.86 -1.98 -3.45 115.15 110.38 1va1 h HIS 540 Ca -0.51 -0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.19 1va1 h HIS 540 Cb 1.32 0.03 0.11 0.00 1.06 0.00 0.00 27.41 29.93 1va1 h HIS 540 CO 0.44 0.26 0.38 0.96 0.86 0.00 0.00 177.93 180.83 1va1 s ILE 541 N -4.68 3.12 -1.01 2.45 -4.36 -1.26 -4.92 121.20 110.55 1va1 s ILE 541 Ca -0.15 0.52 -0.06 0.00 -0.26 0.00 0.00 60.65 60.70 1va1 s ILE 541 Cb 0.03 -3.05 0.01 0.00 1.25 0.00 0.00 42.46 40.70 1va1 s ILE 541 CO 0.64 -0.32 2.75 0.00 0.24 0.00 0.00 174.94 178.25 1va1 n GLN 542 N -2.47 3.56 0.07 0.37 10.64 -1.26 -4.10 117.38 124.19 1va1 n GLN 542 Ca 0.11 -2.63 0.00 0.00 -1.83 0.00 0.00 57.00 52.65 1va1 n GLN 542 Cb 0.52 -2.47 0.00 0.00 -0.86 0.00 0.00 30.24 27.43 1va1 n GLN 542 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1va1 n GLY 543 N 1.98 -0.41 0.00 2.61 0.00 -1.26 -5.13 105.19 102.98 1va1 n GLY 543 Ca 0.60 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.67 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 1.24 0.00 0.13 0.00 0.00 -1.26 -4.85 105.19 100.45 1va1 n GLY 545 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1va1 n GLY 545 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1va1 h LYS 546 N 0.00 0.32 -5.18 1.61 2.10 -1.96 -3.50 116.57 109.96 1va1 h LYS 546 Ca 0.00 -0.54 0.01 0.00 -2.00 0.00 0.00 60.65 58.12 1va1 h LYS 546 Cb 0.00 0.20 -0.11 0.00 -0.90 0.00 0.00 32.23 31.42 1va1 h LYS 546 CO 0.00 1.20 -1.37 0.28 -2.00 0.00 0.00 179.45 177.56 1va1 n VAL 547 N -3.51-11.27 -4.05 0.07 0.31 -1.25 -5.02 118.33 93.61 1va1 n VAL 547 Ca -0.20 2.38 -0.26 0.00 -0.01 0.00 0.00 64.34 66.25 1va1 n VAL 547 Cb 1.06 -6.03 -0.05 0.00 -0.91 0.00 0.00 33.84 27.91 1va1 n VAL 547 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1va1 s TYR 548 N -0.64 3.22 -0.93 3.52 1.51 -1.18 -4.82 117.35 118.04 1va1 s TYR 548 Ca -0.24 0.01 0.10 0.00 -1.01 0.00 0.00 57.07 55.94 1va1 s TYR 548 Cb 0.02 -1.54 0.49 0.00 -0.11 0.00 0.00 41.96 40.81 1va1 s TYR 548 CO 0.69 0.52 1.30 0.41 -1.11 0.00 0.00 175.55 177.36 1va1 n GLY 549 N -0.39 2.10 3.15 0.71 0.00 -1.26 -2.45 105.19 107.05 1va1 n GLY 549 Ca -0.08 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.91 0.28 0.35 1.61 2.36 -1.26 -4.71 119.74 116.46 1va1 s LYS 550 Ca 0.34 0.74 0.15 0.00 -2.55 0.00 0.00 55.97 54.64 1va1 s LYS 550 Cb 0.24 -0.01 0.63 0.00 -1.05 0.00 0.00 37.83 37.64 1va1 s LYS 550 CO 0.13 -0.20 1.74 0.00 1.55 0.00 0.00 175.35 178.57 1va1 h THR 551 N 5.88 1.15 -0.32 3.43 1.03 -2.00 -2.93 112.91 119.15 1va1 h THR 551 Ca -0.31 -1.59 0.04 0.00 -0.01 0.00 0.00 66.41 64.54 1va1 h THR 551 Cb 1.15 1.90 -0.02 0.00 -1.07 0.00 0.00 68.15 70.11 1va1 h THR 551 CO 0.26 0.43 0.22 -1.28 -0.01 0.00 0.00 175.52 175.14 1va1 h SER 552 N 0.00 0.21 0.75 0.00 0.87 -2.00 -0.66 113.55 112.73 1va1 h SER 552 Ca -0.00 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.38 1va1 h SER 552 Cb 0.87 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1va1 h SER 552 CO 0.06 0.14 -0.81 0.45 -0.53 0.00 0.00 176.83 176.14 1va1 h HIS 553 N 0.25 0.06 -0.24 2.24 3.86 -1.95 -3.14 115.15 116.23 1va1 h HIS 553 Ca 0.14 -0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.37 1va1 h HIS 553 Cb 0.25 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1va1 h HIS 553 CO -0.00 0.83 0.17 -0.07 0.86 0.00 0.00 177.93 179.72 1va1 h LEU 554 N 0.02 0.07 -0.35 2.43 4.07 -1.16 -1.67 115.31 118.72 1va1 h LEU 554 Ca -0.02 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1va1 h LEU 554 Cb 1.43 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 43.14 1va1 h LEU 554 CO 0.11 0.04 0.22 0.08 -1.08 0.00 0.00 178.44 177.82 1va1 h ARG 555 N 0.07 0.47 -0.08 1.13 0.11 -1.49 0.71 114.38 115.31 1va1 h ARG 555 Ca 0.11 -0.03 -0.13 0.00 0.10 0.00 0.00 59.98 60.02 1va1 h ARG 555 Cb 0.34 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.30 1va1 h ARG 555 CO -0.01 0.33 -0.55 0.00 0.10 0.00 0.00 179.97 179.83 1va1 h ALA 556 N 1.11 0.93 -0.03 0.08 0.00 -1.49 -2.99 119.26 116.87 1va1 h ALA 556 Ca 0.13 -0.51 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 1va1 h ALA 556 Cb -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1va1 h ALA 556 CO -0.03 0.69 -0.90 1.25 0.00 0.00 0.00 179.25 180.26 1va1 h HIS 557 N 0.17 0.71 -0.67 0.00 -0.00 -0.89 -3.27 115.15 111.20 1va1 h HIS 557 Ca 0.00 -0.37 -0.01 0.00 -0.00 0.00 0.00 60.37 60.00 1va1 h HIS 557 Cb 1.03 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.41 28.32 1va1 h HIS 557 CO 0.02 1.18 0.40 -0.07 -0.00 0.00 0.00 177.93 179.46 1va1 h LEU 558 N 0.30 0.81 -2.03 0.26 -0.00 0.50 -1.87 115.31 113.28 1va1 h LEU 558 Ca -0.08 -0.07 0.03 0.00 -0.00 0.00 0.00 57.88 57.76 1va1 h LEU 558 Cb 1.53 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.98 1va1 h LEU 558 CO 0.16 0.64 0.07 0.08 -0.00 0.00 0.00 178.44 179.39 1va1 h ARG 559 N 0.92 0.00 -0.41 1.13 0.11 -1.57 -1.79 114.38 112.77 1va1 h ARG 559 Ca 0.24 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.26 1va1 h ARG 559 Cb -0.01 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.05 1va1 h ARG 559 CO -0.04 0.00 0.03 2.35 0.10 0.00 0.00 179.97 182.40 1va1 h TRP 560 N 0.00 0.76 -0.33 4.08 2.91 -1.39 -3.13 115.95 118.84 1va1 h TRP 560 Ca 0.04 -0.12 -0.02 0.00 1.13 0.00 0.00 58.89 59.92 1va1 h TRP 560 Cb 0.18 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.61 1va1 h TRP 560 CO 0.00 0.76 0.13 0.45 -1.03 0.00 0.00 178.44 178.75 1va1 h HIS 561 N 0.54 0.51 -3.64 2.65 3.86 -1.23 -3.43 115.15 114.41 1va1 h HIS 561 Ca 0.12 -0.04 -0.51 0.00 -1.16 0.00 0.00 60.37 58.78 1va1 h HIS 561 Cb 0.44 -0.15 0.02 0.00 1.06 0.00 0.00 27.41 28.77 1va1 h HIS 561 CO 0.03 0.47 0.52 -0.08 0.86 0.00 0.00 177.93 179.74 1va1 s THR 562 N -5.56 3.52 -0.16 2.45 -1.32 -1.01 -4.46 115.64 109.11 1va1 s THR 562 Ca -0.13 1.38 -0.00 0.00 -1.21 0.00 0.00 61.69 61.73 1va1 s THR 562 Cb 0.09 -3.88 0.00 0.00 -1.51 0.00 0.00 72.50 67.20 1va1 s THR 562 CO 0.74 0.27 0.00 0.61 -2.21 0.00 0.00 174.62 174.03 1va1 n GLY 563 N 1.72 -3.61 2.83 6.08 0.00 -1.26 -4.88 105.19 106.07 1va1 n GLY 563 Ca 0.02 0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.85 1.05 0.00 1.61 2.02 -1.26 -4.98 118.70 116.29 1va1 s GLU 564 Ca 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.51 1va1 s GLU 564 Cb -0.00 -2.46 0.00 0.00 0.10 0.00 0.00 34.13 31.77 1va1 s GLU 564 CO 0.41 -0.99 0.00 2.89 0.02 0.00 0.00 175.26 177.58