#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 -0.66 -0.55 3.17 2.15 -1.26 -5.11 116.67 114.41 1va1 s ASP 530 Ca 0.00 0.74 -0.27 0.00 0.43 0.00 0.00 52.55 53.45 1va1 s ASP 530 Cb 0.00 0.57 -0.02 0.00 -0.30 0.00 0.00 42.92 43.17 1va1 s ASP 530 CO 0.00 -0.60 1.82 -2.16 -0.17 0.00 0.00 175.17 174.07 1va1 s PRO 531 N -1.14 2.81 0.00 4.34 0.04 -1.26 -4.81 135.00 134.98 1va1 s PRO 531 Ca -0.11 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1va1 s PRO 531 Cb -0.00 -4.33 0.00 0.00 0.04 0.00 0.00 34.50 30.21 1va1 s PRO 531 CO 0.10 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 175.04 1va1 n GLY 532 N 5.61 1.80 3.73 0.56 0.00 -1.26 -5.14 105.19 110.49 1va1 n GLY 532 Ca 0.21 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 2.17 4.45 -0.04 1.61 -0.14 -1.26 -5.03 119.74 121.49 1va1 s LYS 533 Ca 0.00 1.89 -0.07 0.00 -1.36 0.00 0.00 55.97 56.43 1va1 s LYS 533 Cb 0.00 -3.26 0.01 0.00 -1.68 0.00 0.00 37.83 32.90 1va1 s LYS 533 CO 0.00 -0.19 0.18 -1.59 -0.76 0.00 0.00 175.35 172.99 1va1 s LYS 534 N 0.24 0.34 -0.18 1.68 -2.85 -1.26 -5.10 119.74 112.62 1va1 s LYS 534 Ca 0.56 -0.00 -0.04 0.00 -1.00 0.00 0.00 55.97 55.49 1va1 s LYS 534 Cb -0.33 0.15 0.08 0.00 -2.06 0.00 0.00 37.83 35.68 1va1 s LYS 534 CO 0.34 -0.07 0.19 0.15 0.10 0.00 0.00 175.35 176.06 1va1 s LYS 535 N -0.52 0.14 0.01 1.78 -0.14 -1.26 -5.14 119.74 114.61 1va1 s LYS 535 Ca -0.06 0.22 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 1va1 s LYS 535 Cb -0.04 -1.15 -0.01 0.00 -1.68 0.00 0.00 37.83 34.95 1va1 s LYS 535 CO 0.01 -0.59 -0.02 -0.65 -0.76 0.00 0.00 175.35 173.33 1va1 s GLN 536 N 2.29 0.22 -0.47 1.68 -0.21 -1.26 -4.89 119.66 117.01 1va1 s GLN 536 Ca 0.05 -0.42 -0.12 0.00 0.02 0.00 0.00 55.36 54.89 1va1 s GLN 536 Cb -0.15 0.06 0.10 0.00 1.00 0.00 0.00 33.01 34.03 1va1 s GLN 536 CO -0.10 -0.03 0.37 -1.01 -2.12 0.00 0.00 175.29 172.39 1va1 s HIS 537 N -1.00 3.33 -0.14 0.91 3.76 -0.57 -4.92 115.29 116.67 1va1 s HIS 537 Ca -0.11 -1.50 -0.19 0.00 -0.15 0.00 0.00 55.06 53.12 1va1 s HIS 537 Cb -0.07 -3.38 -0.04 0.00 1.11 0.00 0.00 32.58 30.21 1va1 s HIS 537 CO -0.01 -0.93 0.52 0.42 -0.85 0.00 0.00 174.74 173.89 1va1 s ILE 538 N 1.48 5.15 -0.56 0.60 1.09 -1.26 -3.49 121.20 124.21 1va1 s ILE 538 Ca 0.04 1.01 -0.28 0.00 -1.10 0.00 0.00 60.65 60.32 1va1 s ILE 538 Cb -0.26 -3.85 0.02 0.00 -1.06 0.00 0.00 42.46 37.31 1va1 s ILE 538 CO 0.02 0.27 1.29 0.00 -0.10 0.00 0.00 174.94 176.43 1va1 n HIS 540 N 8.89 2.56 -4.32 0.00 8.25 -1.26 -4.24 115.22 125.10 1va1 n HIS 540 Ca 0.11 -2.58 -0.29 0.00 -0.26 0.00 0.00 57.72 54.70 1va1 n HIS 540 Cb 0.49 -1.26 -0.17 0.00 1.12 0.00 0.00 29.99 30.17 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 -3.84 1.56 0.00 1.59 1.01 -1.26 -4.95 121.20 115.31 1va1 s ILE 541 Ca 0.52 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.51 1va1 s ILE 541 Cb 0.41 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 41.44 1va1 s ILE 541 CO -0.04 0.45 0.00 0.00 0.00 0.00 0.00 174.94 175.36 1va1 n GLN 542 N 4.39 0.00 -1.65 2.79 6.02 -1.26 -2.63 117.38 125.04 1va1 n GLN 542 Ca -0.18 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1va1 n GLN 542 Cb 0.51 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.79 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 0.00 -0.56 0.00 1.08 0.00 -1.26 -5.16 105.19 99.28 1va1 n GLY 543 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.67 -0.53 0.39 0.00 0.00 -1.26 -4.92 105.19 99.54 1va1 n GLY 545 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.09 1.04 -4.07 1.61 2.85 -1.26 -5.03 118.16 113.21 1va1 n LYS 546 Ca -0.03 -0.32 -0.08 0.00 -1.05 0.00 0.00 58.31 56.83 1va1 n LYS 546 Cb 0.42 -0.01 -0.10 0.00 -0.65 0.00 0.00 35.03 34.69 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 0.47 0.25 0.05 0.58 1.01 -1.26 -4.42 120.40 117.08 1va1 s VAL 547 Ca 0.06 -1.59 -0.26 0.00 0.00 0.00 0.00 61.98 60.19 1va1 s VAL 547 Cb -0.00 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 35.23 1va1 s VAL 547 CO 0.04 -0.85 0.61 -0.31 0.00 0.00 0.00 175.10 174.58 1va1 s TYR 548 N -3.24 -0.56 -0.10 5.22 2.02 -1.23 -4.90 117.35 114.56 1va1 s TYR 548 Ca 0.02 0.67 0.14 0.00 -0.37 0.00 0.00 57.07 57.53 1va1 s TYR 548 Cb 0.03 0.45 0.21 0.00 -0.40 0.00 0.00 41.96 42.25 1va1 s TYR 548 CO -0.07 -0.71 1.11 0.41 -1.57 0.00 0.00 175.55 174.72 1va1 n GLY 549 N 0.30 4.37 3.16 0.71 0.00 -1.26 -1.51 105.19 110.96 1va1 n GLY 549 Ca -0.18 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.37 0.29 0.30 1.61 2.20 -1.26 -5.03 119.74 115.48 1va1 s LYS 550 Ca 0.23 0.70 0.10 0.00 -0.36 0.00 0.00 55.97 56.64 1va1 s LYS 550 Cb 0.20 -0.04 0.47 0.00 -1.51 0.00 0.00 37.83 36.95 1va1 s LYS 550 CO 0.02 -0.18 1.68 1.15 -0.36 0.00 0.00 175.35 177.67 1va1 h THR 551 N 5.79 1.37 -0.44 3.43 2.02 -2.01 -2.94 112.91 120.14 1va1 h THR 551 Ca -0.35 -1.80 0.09 0.00 0.77 0.00 0.00 66.41 65.12 1va1 h THR 551 Cb 1.16 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 69.50 1va1 h THR 551 CO 0.30 0.52 0.30 0.28 0.37 0.00 0.00 175.52 177.29 1va1 h SER 552 N 0.03 0.17 0.71 4.18 0.02 -2.02 0.36 113.55 116.99 1va1 h SER 552 Ca -0.00 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.77 1va1 h SER 552 Cb 0.94 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.43 1va1 h SER 552 CO 0.07 0.10 -0.83 0.45 -1.14 0.00 0.00 176.83 175.48 1va1 h HIS 553 N 0.19 0.12 -0.45 3.45 3.86 -1.95 -3.16 115.15 117.20 1va1 h HIS 553 Ca 0.20 -0.07 -0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1va1 h HIS 553 Cb 0.56 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.99 1va1 h HIS 553 CO -0.00 0.87 0.28 -0.07 0.86 0.00 0.00 177.93 179.87 1va1 h LEU 554 N 0.05 0.53 -1.13 2.43 4.07 -0.97 -1.31 115.31 118.98 1va1 h LEU 554 Ca -0.02 -0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.93 1va1 h LEU 554 Cb 1.45 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 43.01 1va1 h LEU 554 CO 0.12 0.40 0.59 0.08 -1.08 0.00 0.00 178.44 178.55 1va1 h ARG 555 N 0.62 1.16 0.08 1.13 -0.00 -1.48 0.64 114.38 116.53 1va1 h ARG 555 Ca 0.16 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.98 60.07 1va1 h ARG 555 Cb -0.03 -0.26 0.00 0.00 -0.00 0.00 0.00 29.97 29.68 1va1 h ARG 555 CO -0.03 0.76 -0.04 0.00 -0.00 0.00 0.00 179.97 180.66 1va1 h ALA 556 N 1.45 -0.11 0.00 0.08 0.00 -1.48 -3.22 119.26 115.98 1va1 h ALA 556 Ca 0.34 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1va1 h ALA 556 Cb -0.10 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1va1 h ALA 556 CO -0.08 -0.16 -0.03 1.25 0.00 0.00 0.00 179.25 180.23 1va1 h HIS 557 N -0.91 0.00 -0.33 0.00 -0.00 -1.18 -1.61 115.15 111.12 1va1 h HIS 557 Ca -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.30 1va1 h HIS 557 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.96 1va1 h HIS 557 CO 0.13 0.03 -0.06 -0.07 -0.00 0.00 0.00 177.93 177.95 1va1 h LEU 558 N 0.00 0.52 -1.70 0.26 3.38 0.26 -2.41 115.31 115.62 1va1 h LEU 558 Ca -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1va1 h LEU 558 Cb 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1va1 h LEU 558 CO 0.00 0.63 0.02 0.08 0.09 0.00 0.00 178.44 179.26 1va1 h ARG 559 N 0.51 0.21 -0.20 1.13 0.11 -1.30 -2.56 114.38 112.28 1va1 h ARG 559 Ca 0.10 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.12 1va1 h ARG 559 Cb 0.42 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.46 1va1 h ARG 559 CO 0.02 0.21 -0.03 2.35 0.10 0.00 0.00 179.97 182.62 1va1 h TRP 560 N 0.21 0.42 -0.32 4.08 2.91 -1.51 -2.94 115.95 118.81 1va1 h TRP 560 Ca 0.05 -0.09 0.03 0.00 1.13 0.00 0.00 58.89 60.02 1va1 h TRP 560 Cb 0.11 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.64 1va1 h TRP 560 CO 0.00 0.61 0.21 0.45 -1.03 0.00 0.00 178.44 178.68 1va1 h HIS 561 N 0.11 0.27 -3.66 2.65 3.86 -1.43 -3.42 115.15 113.53 1va1 h HIS 561 Ca 0.05 0.01 -0.49 0.00 -1.16 0.00 0.00 60.37 58.77 1va1 h HIS 561 Cb 0.47 -0.09 0.03 0.00 1.06 0.00 0.00 27.41 28.87 1va1 h HIS 561 CO 0.05 0.16 0.13 0.95 0.86 0.00 0.00 177.93 180.08 1va1 s THR 562 N -5.28 4.86 -0.10 2.45 -4.23 -1.07 -4.70 115.64 107.56 1va1 s THR 562 Ca -0.07 0.38 -0.02 0.00 -1.18 0.00 0.00 61.69 60.81 1va1 s THR 562 Cb 0.18 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 70.20 1va1 s THR 562 CO 0.71 -0.75 0.12 0.61 -0.54 0.00 0.00 174.62 174.77 1va1 n GLY 563 N -1.95 -0.66 1.84 3.99 0.00 -1.26 -4.93 105.19 102.23 1va1 n GLY 563 Ca 0.01 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.76 0.00 -0.52 1.61 -0.58 -1.26 -5.08 120.64 114.04 1va1 n GLU 564 Ca 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1va1 n GLU 564 Cb 0.27 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.07 1va1 n GLU 564 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19