#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 5.00 0.98 7.83 1.11 -1.26 -5.01 116.67 125.33 1va1 s ASP 530 Ca 0.00 2.46 -0.12 0.00 0.18 0.00 0.00 52.55 55.07 1va1 s ASP 530 Cb 0.00 -2.60 0.18 0.00 1.07 0.00 0.00 42.92 41.56 1va1 s ASP 530 CO 0.00 -1.73 1.10 -2.16 1.18 0.00 0.00 175.17 173.56 1va1 s PRO 531 N -3.35 0.58 0.00 8.23 0.04 -1.26 -5.02 135.00 134.22 1va1 s PRO 531 Ca 0.79 0.54 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1va1 s PRO 531 Cb -0.33 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1va1 s PRO 531 CO 0.35 -2.64 0.00 0.41 0.04 0.00 0.00 177.00 175.16 1va1 n GLY 532 N -1.16 0.00 3.76 0.56 0.00 -1.26 -5.09 105.19 102.00 1va1 n GLY 532 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.55 3.42 -0.19 1.61 0.00 -1.26 -5.03 119.74 116.75 1va1 s LYS 533 Ca 0.00 2.21 -0.07 0.00 0.00 0.00 0.00 55.97 58.11 1va1 s LYS 533 Cb 0.00 -2.41 0.08 0.00 0.00 0.00 0.00 37.83 35.50 1va1 s LYS 533 CO 0.00 -0.96 0.40 0.15 0.00 0.00 0.00 175.35 174.94 1va1 s LYS 534 N -2.71 0.32 0.46 1.78 -0.14 -1.26 -5.13 119.74 113.06 1va1 s LYS 534 Ca 0.67 0.96 0.00 0.00 -1.36 0.00 0.00 55.97 56.24 1va1 s LYS 534 Cb -0.39 0.23 0.00 0.00 -1.68 0.00 0.00 37.83 35.99 1va1 s LYS 534 CO 0.48 -0.24 0.00 1.17 -0.76 0.00 0.00 175.35 176.00 1va1 n LYS 535 N 5.17 -3.11 -3.87 1.68 4.81 -1.26 -4.99 118.16 116.58 1va1 n LYS 535 Ca -0.11 2.28 -0.11 0.00 -0.87 0.00 0.00 58.31 59.50 1va1 n LYS 535 Cb 0.51 -3.72 -0.10 0.00 0.02 0.00 0.00 35.03 31.74 1va1 n LYS 535 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1va1 s GLN 536 N -3.09 0.51 -0.19 1.64 0.74 -1.26 -5.10 119.66 112.91 1va1 s GLN 536 Ca 0.00 -0.45 -0.08 0.00 0.05 0.00 0.00 55.36 54.88 1va1 s GLN 536 Cb 0.00 0.21 -0.04 0.00 1.10 0.00 0.00 33.01 34.28 1va1 s GLN 536 CO 0.00 -0.13 0.09 -1.58 -0.55 0.00 0.00 175.29 173.12 1va1 s HIS 537 N -1.59 3.30 0.06 1.67 2.46 -1.26 -5.05 115.29 114.88 1va1 s HIS 537 Ca -0.13 0.15 0.05 0.00 0.47 0.00 0.00 55.06 55.60 1va1 s HIS 537 Cb -0.07 -2.11 -0.03 0.00 -0.13 0.00 0.00 32.58 30.25 1va1 s HIS 537 CO 0.01 0.19 -0.13 0.42 -2.47 0.00 0.00 174.74 172.76 1va1 s ILE 538 N 0.39 1.02 -0.28 0.89 -1.09 -1.26 -3.85 121.20 117.02 1va1 s ILE 538 Ca 0.05 -1.18 -0.29 0.00 -2.23 0.00 0.00 60.65 57.00 1va1 s ILE 538 Cb -0.12 -0.98 -0.02 0.00 -1.58 0.00 0.00 42.46 39.75 1va1 s ILE 538 CO -0.00 -0.19 1.80 0.00 -1.23 0.00 0.00 174.94 175.32 1va1 h HIS 540 N 12.49 0.03 -4.14 0.00 2.76 -1.99 -3.43 115.15 120.88 1va1 h HIS 540 Ca -0.35 0.00 -0.50 0.00 -2.20 0.00 0.00 60.37 57.32 1va1 h HIS 540 Cb 1.17 -0.01 0.08 0.00 1.55 0.00 0.00 27.41 30.20 1va1 h HIS 540 CO 0.94 0.02 0.40 0.42 -1.30 0.00 0.00 177.93 178.42 1va1 s ILE 541 N -5.08 3.27 -0.43 6.26 -1.09 -1.26 -4.98 121.20 117.89 1va1 s ILE 541 Ca -0.05 0.70 -0.25 0.00 -2.23 0.00 0.00 60.65 58.82 1va1 s ILE 541 Cb 0.17 -3.23 0.02 0.00 -1.58 0.00 0.00 42.46 37.84 1va1 s ILE 541 CO 0.68 -0.26 0.90 0.00 -1.23 0.00 0.00 174.94 175.03 1va1 s GLN 542 N -3.65 3.63 0.00 2.79 -2.07 -1.26 -4.04 119.66 115.06 1va1 s GLN 542 Ca 0.70 0.26 0.00 0.00 -1.82 0.00 0.00 55.36 54.50 1va1 s GLN 542 Cb -0.22 -3.88 0.00 0.00 -1.09 0.00 0.00 33.01 27.82 1va1 s GLN 542 CO 0.33 -1.10 0.00 0.41 -1.32 0.00 0.00 175.29 173.61 1va1 n GLY 543 N 4.75 3.65 3.97 2.60 0.00 -1.26 -5.14 105.19 113.76 1va1 n GLY 543 Ca 0.06 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.91 0.19 0.96 0.00 0.00 -1.26 -4.78 105.19 97.39 1va1 n GLY 545 Ca 0.13 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.07 -0.10 -3.69 1.61 2.85 -1.26 -4.93 118.16 112.56 1va1 n LYS 546 Ca -0.17 -0.56 -0.11 0.00 -1.05 0.00 0.00 58.31 56.42 1va1 n LYS 546 Cb 0.55 -0.29 -0.10 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 -1.38 -0.02 -0.06 0.58 1.01 -1.26 -4.25 120.40 115.03 1va1 s VAL 547 Ca 0.18 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1va1 s VAL 547 Cb -0.01 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.73 1va1 s VAL 547 CO 0.12 0.03 -0.04 -0.72 0.00 0.00 0.00 175.10 174.49 1va1 s TYR 548 N 1.18 0.81 0.42 5.22 -0.85 -1.25 -4.99 117.35 117.89 1va1 s TYR 548 Ca -0.08 -0.25 0.12 0.00 -0.52 0.00 0.00 57.07 56.35 1va1 s TYR 548 Cb -0.07 -0.76 0.91 0.00 0.38 0.00 0.00 41.96 42.42 1va1 s TYR 548 CO -0.11 -0.26 1.96 0.78 -1.52 0.00 0.00 175.55 176.41 1va1 h GLY 549 N 7.59 0.12 -6.46 5.49 0.00 -1.99 -3.39 103.07 104.43 1va1 h GLY 549 Ca -0.32 -0.07 -0.60 0.00 0.00 0.00 0.00 47.33 46.34 1va1 h GLY 549 CO 0.40 0.07 -0.43 1.25 0.00 0.00 0.00 176.54 177.83 1va1 s LYS 550 N -4.70 4.17 0.47 4.80 2.47 -1.26 -4.97 119.74 120.72 1va1 s LYS 550 Ca -0.05 -0.13 0.23 0.00 -1.56 0.00 0.00 55.97 54.47 1va1 s LYS 550 Cb 0.16 -3.47 1.18 0.00 -1.46 0.00 0.00 37.83 34.23 1va1 s LYS 550 CO 0.71 0.18 1.97 1.79 0.16 0.00 0.00 175.35 180.16 1va1 h THR 551 N 4.82 0.74 -0.34 3.43 1.35 -2.02 -2.48 112.91 118.40 1va1 h THR 551 Ca -0.40 -0.80 0.10 0.00 -0.55 0.00 0.00 66.41 64.76 1va1 h THR 551 Cb 1.16 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1va1 h THR 551 CO 0.72 0.19 0.32 -1.28 -0.25 0.00 0.00 175.52 175.22 1va1 h SER 552 N 0.00 0.00 0.91 5.36 0.87 -1.96 0.45 113.55 119.19 1va1 h SER 552 Ca -0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 1va1 h SER 552 Cb 0.48 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1va1 h SER 552 CO 0.03 0.00 -0.68 0.45 -0.53 0.00 0.00 176.83 176.10 1va1 h HIS 553 N 0.00 0.00 -0.58 2.24 3.86 -1.84 -3.12 115.15 115.71 1va1 h HIS 553 Ca 0.16 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.33 1va1 h HIS 553 Cb 0.80 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 1va1 h HIS 553 CO 0.00 0.68 0.21 1.25 0.86 0.00 0.00 177.93 180.93 1va1 h LEU 554 N 0.00 0.83 -0.30 2.43 5.85 -0.22 0.35 115.31 124.24 1va1 h LEU 554 Ca -0.01 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1va1 h LEU 554 Cb 1.32 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.12 1va1 h LEU 554 CO 0.09 0.79 0.09 0.08 -0.34 0.00 0.00 178.44 179.15 1va1 h ARG 555 N 0.81 0.47 -0.09 1.25 0.11 -1.52 0.54 114.38 115.95 1va1 h ARG 555 Ca 0.19 -0.11 -0.13 0.00 0.10 0.00 0.00 59.98 60.04 1va1 h ARG 555 Cb 0.24 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1va1 h ARG 555 CO -0.01 0.53 -0.51 0.00 0.10 0.00 0.00 179.97 180.08 1va1 h ALA 556 N 0.92 0.97 0.05 0.08 0.00 -1.46 -2.96 119.26 116.86 1va1 h ALA 556 Ca 0.10 -0.48 -0.26 0.00 0.00 0.00 0.00 54.91 54.27 1va1 h ALA 556 Cb 0.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.98 1va1 h ALA 556 CO -0.00 0.66 -1.09 1.25 0.00 0.00 0.00 179.25 180.07 1va1 h HIS 557 N 0.19 0.78 -0.98 0.00 -0.00 -0.10 -3.28 115.15 111.77 1va1 h HIS 557 Ca 0.01 -0.46 0.02 0.00 -0.00 0.00 0.00 60.37 59.94 1va1 h HIS 557 Cb 0.97 -0.07 -0.05 0.00 -0.00 0.00 0.00 27.41 28.25 1va1 h HIS 557 CO 0.02 1.30 0.64 1.25 -0.00 0.00 0.00 177.93 181.14 1va1 h LEU 558 N 0.25 1.09 -2.01 0.26 5.85 0.14 -1.30 115.31 119.59 1va1 h LEU 558 Ca -0.13 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1va1 h LEU 558 Cb 1.75 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.52 1va1 h LEU 558 CO 0.20 0.76 0.06 0.08 -0.34 0.00 0.00 178.44 179.20 1va1 h ARG 559 N 1.27 0.00 -0.20 1.25 -0.00 -1.58 -2.09 114.38 113.04 1va1 h ARG 559 Ca 0.38 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.31 1va1 h ARG 559 Cb -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.90 1va1 h ARG 559 CO -0.10 0.00 -0.04 2.35 -0.00 0.00 0.00 179.97 182.18 1va1 h TRP 560 N 0.00 0.42 -0.74 4.08 2.91 -1.33 -3.05 115.95 118.24 1va1 h TRP 560 Ca 0.04 -0.09 0.01 0.00 1.13 0.00 0.00 58.89 59.99 1va1 h TRP 560 Cb 0.16 -0.10 -0.04 0.00 -0.51 0.00 0.00 29.16 28.67 1va1 h TRP 560 CO 0.00 0.61 0.49 0.45 -1.03 0.00 0.00 178.44 178.96 1va1 h HIS 561 N 0.10 0.92 -2.16 2.65 3.86 -1.29 -3.39 115.15 115.84 1va1 h HIS 561 Ca 0.05 0.02 -0.52 0.00 -1.16 0.00 0.00 60.37 58.77 1va1 h HIS 561 Cb 0.47 -0.31 -0.03 0.00 1.06 0.00 0.00 27.41 28.60 1va1 h HIS 561 CO 0.05 0.57 1.33 0.95 0.86 0.00 0.00 177.93 181.68 1va1 s THR 562 N -5.82 3.40 0.00 2.45 -4.23 -1.01 -3.73 115.64 106.70 1va1 s THR 562 Ca -0.11 0.28 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1va1 s THR 562 Cb 0.18 -3.91 0.00 0.00 1.34 0.00 0.00 72.50 70.11 1va1 s THR 562 CO 0.78 -0.83 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 1va1 n GLY 563 N 5.62 0.40 0.64 3.99 0.00 -1.26 -4.96 105.19 109.62 1va1 n GLY 563 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.00 0.00 1.61 1.02 -1.24 -5.16 120.64 116.87 1va1 n GLU 564 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 1va1 n GLU 564 Cb 0.00 -0.67 0.71 0.00 -0.02 0.00 0.00 31.44 31.46 1va1 n GLU 564 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85