#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 5.29 -0.12 7.83 2.15 -1.26 -5.08 116.67 125.49 1va1 s ASP 530 Ca 0.00 0.09 -0.29 0.00 0.43 0.00 0.00 52.55 52.78 1va1 s ASP 530 Cb 0.00 -1.46 -0.03 0.00 -0.30 0.00 0.00 42.92 41.13 1va1 s ASP 530 CO 0.00 0.32 1.42 -2.16 -0.17 0.00 0.00 175.17 174.58 1va1 s PRO 531 N -1.31 4.21 0.07 4.34 0.04 -1.26 -5.00 135.00 136.09 1va1 s PRO 531 Ca 0.18 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1va1 s PRO 531 Cb -0.12 -3.84 -0.00 0.00 0.04 0.00 0.00 34.50 30.58 1va1 s PRO 531 CO 0.08 -0.75 0.01 0.41 0.04 0.00 0.00 177.00 176.78 1va1 n GLY 532 N 3.81 4.06 2.64 0.56 0.00 -1.26 -5.15 105.19 109.85 1va1 n GLY 532 Ca 0.15 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.81 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 -2.25 0.08 -0.16 1.61 -0.14 -1.26 -5.12 119.74 112.51 1va1 s LYS 533 Ca 0.01 -0.01 -0.01 0.00 -1.36 0.00 0.00 55.97 54.60 1va1 s LYS 533 Cb 0.00 -1.68 0.04 0.00 -1.68 0.00 0.00 37.83 34.51 1va1 s LYS 533 CO 0.01 -0.66 -0.04 0.15 -0.76 0.00 0.00 175.35 174.04 1va1 s LYS 534 N 2.18 1.34 -0.27 1.68 1.02 -1.26 -5.00 119.74 119.43 1va1 s LYS 534 Ca 0.03 -0.46 0.13 0.00 0.02 0.00 0.00 55.97 55.69 1va1 s LYS 534 Cb -0.16 -1.93 0.47 0.00 -0.52 0.00 0.00 37.83 35.70 1va1 s LYS 534 CO -0.10 -0.43 1.16 1.63 -0.92 0.00 0.00 175.35 176.70 1va1 n LYS 535 N 4.91 2.85 -4.31 1.68 5.02 -1.26 -5.02 118.16 122.02 1va1 n LYS 535 Ca -0.11 -3.88 -0.27 0.00 -2.02 0.00 0.00 58.31 52.03 1va1 n LYS 535 Cb 0.48 -1.99 -0.17 0.00 -0.02 0.00 0.00 35.03 33.33 1va1 n LYS 535 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1va1 s GLN 536 N -3.58 1.89 -0.37 1.97 -0.21 -1.26 -3.61 119.66 114.49 1va1 s GLN 536 Ca 0.42 -0.44 0.01 0.00 0.02 0.00 0.00 55.36 55.38 1va1 s GLN 536 Cb 0.38 -1.69 0.10 0.00 1.00 0.00 0.00 33.01 32.80 1va1 s GLN 536 CO 0.01 -0.11 0.11 -1.01 -2.12 0.00 0.00 175.29 172.17 1va1 s HIS 537 N 1.13 3.68 0.00 0.91 3.76 -1.21 -4.95 115.29 118.60 1va1 s HIS 537 Ca -0.05 -2.72 -0.30 0.00 -0.15 0.00 0.00 55.06 51.84 1va1 s HIS 537 Cb -0.14 -3.03 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 1va1 s HIS 537 CO -0.03 -0.96 1.15 0.42 -0.85 0.00 0.00 174.74 174.47 1va1 s ILE 538 N 1.01 4.31 -0.34 0.60 -1.09 -1.26 -3.50 121.20 120.93 1va1 s ILE 538 Ca 0.09 1.65 -0.29 0.00 -2.23 0.00 0.00 60.65 59.87 1va1 s ILE 538 Cb -0.21 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1va1 s ILE 538 CO -0.06 0.08 1.28 0.00 -1.23 0.00 0.00 174.94 175.01 1va1 n HIS 540 N 7.81 2.75 -4.45 0.00 1.44 -1.26 -4.41 115.22 117.11 1va1 n HIS 540 Ca 0.14 -2.01 -0.25 0.00 -2.01 0.00 0.00 57.72 53.59 1va1 n HIS 540 Cb 0.47 -1.00 -0.17 0.00 0.12 0.00 0.00 29.99 29.41 1va1 n HIS 540 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1va1 s ILE 541 N -3.29 1.13 0.00 0.61 1.01 -1.26 -4.98 121.20 114.42 1va1 s ILE 541 Ca 0.52 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1va1 s ILE 541 Cb 0.43 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.85 1va1 s ILE 541 CO 0.07 0.36 0.00 0.00 0.00 0.00 0.00 174.94 175.37 1va1 n GLN 542 N 4.04 0.00 -0.96 2.79 6.02 -1.26 -2.59 117.38 125.43 1va1 n GLN 542 Ca -0.21 0.00 -0.01 0.00 -0.01 0.00 0.00 57.00 56.77 1va1 n GLN 542 Cb 0.51 0.00 -0.00 0.00 1.02 0.00 0.00 30.24 31.77 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 -0.39 0.00 1.08 0.00 -1.26 -5.16 105.19 99.46 1va1 n GLY 543 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 1.00 0.00 0.11 0.00 0.00 -1.26 -4.71 105.19 100.33 1va1 n GLY 545 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.23 -5.66 1.61 -0.00 -1.96 -3.49 116.57 107.30 1va1 h LYS 546 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 60.65 60.26 1va1 h LYS 546 Cb 0.00 0.15 -0.04 0.00 -0.00 0.00 0.00 32.23 32.33 1va1 h LYS 546 CO 0.00 1.07 -0.88 0.28 -0.00 0.00 0.00 179.45 179.93 1va1 n VAL 547 N -3.42 -6.92 -4.09 0.07 0.31 -1.23 -5.00 118.33 98.04 1va1 n VAL 547 Ca -0.18 1.31 -0.26 0.00 -0.01 0.00 0.00 64.34 65.19 1va1 n VAL 547 Cb 1.04 -4.67 -0.06 0.00 -0.91 0.00 0.00 33.84 29.25 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 -0.70 3.12 -0.38 3.52 2.02 -1.26 -4.74 117.35 118.93 1va1 s TYR 548 Ca -0.09 -0.03 0.05 0.00 -0.37 0.00 0.00 57.07 56.63 1va1 s TYR 548 Cb 0.01 -1.50 0.49 0.00 -0.40 0.00 0.00 41.96 40.55 1va1 s TYR 548 CO 0.39 0.52 1.49 0.41 -1.57 0.00 0.00 175.55 176.79 1va1 n GLY 549 N -0.35 3.15 2.72 0.71 0.00 -1.24 -3.34 105.19 106.85 1va1 n GLY 549 Ca -0.08 -0.67 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.17 0.09 0.31 1.61 3.01 -1.26 -4.96 119.74 116.37 1va1 s LYS 550 Ca 0.37 0.21 0.01 0.00 -1.01 0.00 0.00 55.97 55.55 1va1 s LYS 550 Cb 0.30 -1.14 0.51 0.00 -1.01 0.00 0.00 37.83 36.48 1va1 s LYS 550 CO 0.09 -0.56 1.88 1.15 0.51 0.00 0.00 175.35 178.42 1va1 h THR 551 N 6.37 1.20 -0.35 2.17 2.02 -1.99 -2.01 112.91 120.32 1va1 h THR 551 Ca -0.15 -0.69 0.10 0.00 0.77 0.00 0.00 66.41 66.44 1va1 h THR 551 Cb 1.14 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 1va1 h THR 551 CO 0.24 0.26 0.25 0.77 0.37 0.00 0.00 175.52 177.42 1va1 h SER 552 N 0.73 0.03 0.96 4.18 4.64 -2.00 0.16 113.55 122.25 1va1 h SER 552 Ca 0.17 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.36 1va1 h SER 552 Cb 0.22 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 1va1 h SER 552 CO -0.01 0.02 -0.63 0.45 -0.87 0.00 0.00 176.83 175.79 1va1 h HIS 553 N 0.03 0.00 -0.60 4.77 -0.00 -1.79 -3.17 115.15 114.38 1va1 h HIS 553 Ca 0.17 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.51 1va1 h HIS 553 Cb 0.63 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.01 1va1 h HIS 553 CO -0.00 0.63 0.26 1.25 -0.00 0.00 0.00 177.93 180.07 1va1 h LEU 554 N 0.00 0.78 -0.30 2.43 5.85 -0.62 -0.51 115.31 122.95 1va1 h LEU 554 Ca -0.01 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1va1 h LEU 554 Cb 1.28 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.10 1va1 h LEU 554 CO 0.08 0.69 0.14 0.08 -0.34 0.00 0.00 178.44 179.09 1va1 h ARG 555 N 0.85 0.43 -0.13 1.25 0.11 -1.50 0.52 114.38 115.90 1va1 h ARG 555 Ca 0.21 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 60.12 1va1 h ARG 555 Cb 0.14 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 1va1 h ARG 555 CO -0.02 0.41 -0.36 0.00 0.10 0.00 0.00 179.97 180.10 1va1 h ALA 556 N 1.00 1.16 -0.00 0.08 0.00 -1.57 -2.69 119.26 117.24 1va1 h ALA 556 Ca 0.10 -0.38 -0.17 0.00 0.00 0.00 0.00 54.91 54.46 1va1 h ALA 556 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1va1 h ALA 556 CO -0.01 0.56 -0.81 1.25 0.00 0.00 0.00 179.25 180.23 1va1 h HIS 557 N 0.23 0.07 -0.50 0.00 -0.00 -0.70 -3.19 115.15 111.06 1va1 h HIS 557 Ca 0.03 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.31 1va1 h HIS 557 Cb 0.74 -0.01 -0.02 0.00 -0.00 0.00 0.00 27.41 28.12 1va1 h HIS 557 CO 0.01 0.84 0.13 1.25 -0.00 0.00 0.00 177.93 180.15 1va1 h LEU 558 N 0.03 0.71 -2.01 0.26 7.12 0.36 -2.19 115.31 119.58 1va1 h LEU 558 Ca -0.02 -0.12 0.02 0.00 0.13 0.00 0.00 57.88 57.90 1va1 h LEU 558 Cb 1.42 -0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1va1 h LEU 558 CO 0.11 0.69 0.06 0.08 -0.13 0.00 0.00 178.44 179.25 1va1 h ARG 559 N 0.74 0.00 -0.20 1.25 -0.00 -1.51 -1.50 114.38 113.15 1va1 h ARG 559 Ca 0.17 0.00 -0.19 0.00 -0.00 0.00 0.00 59.98 59.95 1va1 h ARG 559 Cb 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 30.24 1va1 h ARG 559 CO -0.00 0.00 -0.62 -1.49 -0.00 0.00 0.00 179.97 177.85 1va1 h TRP 560 N 0.00 1.02 -0.27 4.08 6.55 -1.52 -3.27 115.95 122.54 1va1 h TRP 560 Ca 0.04 -0.41 -0.04 0.00 0.95 0.00 0.00 58.89 59.43 1va1 h TRP 560 Cb 0.16 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.27 1va1 h TRP 560 CO 0.00 1.23 0.02 0.45 -1.05 0.00 0.00 178.44 179.09 1va1 h HIS 561 N 0.52 0.49 -2.02 0.49 3.86 -1.26 -3.38 115.15 113.85 1va1 h HIS 561 Ca -0.02 -0.08 -0.62 0.00 -1.16 0.00 0.00 60.37 58.49 1va1 h HIS 561 Cb 1.24 -0.13 -0.13 0.00 1.06 0.00 0.00 27.41 29.45 1va1 h HIS 561 CO 0.09 0.59 1.03 0.95 0.86 0.00 0.00 177.93 181.44 1va1 s THR 562 N -5.08 4.21 0.00 2.45 -4.23 -0.65 -4.71 115.64 107.62 1va1 s THR 562 Ca -0.14 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 1va1 s THR 562 Cb 0.08 -4.88 0.00 0.00 1.34 0.00 0.00 72.50 69.04 1va1 s THR 562 CO 0.75 -1.70 0.00 0.61 -0.54 0.00 0.00 174.62 173.74 1va1 n GLY 563 N 5.90 -3.06 3.86 3.99 0.00 -1.26 -4.84 105.19 109.79 1va1 n GLY 563 Ca 0.18 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.04 2.52 0.00 1.61 2.02 -1.26 -4.63 118.70 115.92 1va1 s GLU 564 Ca 0.00 -1.54 0.00 0.00 0.02 0.00 0.00 54.97 53.45 1va1 s GLU 564 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1va1 s GLU 564 CO 0.00 -0.16 0.00 -2.13 0.02 0.00 0.00 175.26 172.99