#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 -0.88 -0.59 6.12 2.15 -1.26 -5.11 116.67 117.09 1va1 s ASP 530 Ca 0.00 1.40 -0.27 0.00 0.43 0.00 0.00 52.55 54.11 1va1 s ASP 530 Cb 0.00 1.91 -0.01 0.00 -0.30 0.00 0.00 42.92 44.51 1va1 s ASP 530 CO 0.00 -0.22 1.76 -2.16 -0.17 0.00 0.00 175.17 174.37 1va1 s PRO 531 N 2.62 2.82 0.00 4.34 0.04 -1.26 -4.72 135.00 138.84 1va1 s PRO 531 Ca -0.06 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1va1 s PRO 531 Cb -0.11 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1va1 s PRO 531 CO -0.17 -2.51 0.00 0.41 0.04 0.00 0.00 177.00 174.76 1va1 n GLY 532 N 5.60 -0.00 3.57 0.56 0.00 -1.26 -5.12 105.19 108.54 1va1 n GLY 532 Ca 0.18 -0.96 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 1va1 n GLY 532 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1va1 s LYS 533 N -2.00 2.09 0.12 1.61 2.20 -1.26 -5.12 119.74 117.38 1va1 s LYS 533 Ca 0.00 -1.14 -0.15 0.00 -0.36 0.00 0.00 55.97 54.32 1va1 s LYS 533 Cb 0.00 -2.24 -0.07 0.00 -1.51 0.00 0.00 37.83 34.02 1va1 s LYS 533 CO 0.00 0.47 0.53 -1.59 -0.36 0.00 0.00 175.35 174.40 1va1 s LYS 534 N -2.51 3.99 0.58 4.03 -2.85 -1.26 -4.94 119.74 116.78 1va1 s LYS 534 Ca 0.23 0.49 0.00 0.00 -1.00 0.00 0.00 55.97 55.69 1va1 s LYS 534 Cb -0.10 -3.00 0.00 0.00 -2.06 0.00 0.00 37.83 32.67 1va1 s LYS 534 CO 0.14 0.52 0.00 1.63 0.10 0.00 0.00 175.35 177.75 1va1 n LYS 535 N 1.01 -2.52 -4.59 1.78 5.02 -1.26 -4.86 118.16 112.74 1va1 n LYS 535 Ca -0.07 1.66 -0.32 0.00 -2.02 0.00 0.00 58.31 57.56 1va1 n LYS 535 Cb 0.52 -3.07 -0.12 0.00 -0.02 0.00 0.00 35.03 32.34 1va1 n LYS 535 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1va1 s GLN 536 N -1.91 2.40 -0.45 1.97 -2.07 -1.26 -5.06 119.66 113.28 1va1 s GLN 536 Ca 0.00 -0.79 -0.29 0.00 -1.82 0.00 0.00 55.36 52.46 1va1 s GLN 536 Cb 0.00 -2.39 0.02 0.00 -1.09 0.00 0.00 33.01 29.55 1va1 s GLN 536 CO 0.00 0.59 1.22 -1.01 -1.32 0.00 0.00 175.29 174.77 1va1 s HIS 537 N -0.93 2.69 -0.00 9.60 3.76 -0.44 -4.97 115.29 124.99 1va1 s HIS 537 Ca 0.15 0.71 0.05 0.00 -0.15 0.00 0.00 55.06 55.82 1va1 s HIS 537 Cb -0.11 -4.38 -0.01 0.00 1.11 0.00 0.00 32.58 29.19 1va1 s HIS 537 CO 0.06 -1.49 -0.16 0.42 -0.85 0.00 0.00 174.74 172.72 1va1 s ILE 538 N 4.75 1.24 -0.90 0.60 -1.09 -1.26 -1.35 121.20 123.19 1va1 s ILE 538 Ca 0.52 -0.73 -0.26 0.00 -2.23 0.00 0.00 60.65 57.95 1va1 s ILE 538 Cb -0.09 -1.05 -0.18 0.00 -1.58 0.00 0.00 42.46 39.56 1va1 s ILE 538 CO 0.32 0.30 2.31 0.00 -1.23 0.00 0.00 174.94 176.63 1va1 h HIS 540 N 12.32 0.00 -4.05 0.00 3.86 -1.97 -3.43 115.15 121.89 1va1 h HIS 540 Ca 0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 1va1 h HIS 540 Cb 1.00 0.00 0.16 0.00 1.06 0.00 0.00 27.41 29.63 1va1 h HIS 540 CO 1.10 0.00 0.44 -0.89 0.86 0.00 0.00 177.93 179.45 1va1 n ILE 541 N -4.09 4.50 -2.44 2.45 2.08 -1.26 -4.89 119.36 115.71 1va1 n ILE 541 Ca 0.00 -0.47 -0.41 0.00 0.56 0.00 0.00 62.75 62.44 1va1 n ILE 541 Cb 0.23 -1.42 -0.03 0.00 -0.75 0.00 0.00 39.64 37.68 1va1 n ILE 541 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1va1 s GLN 542 N -3.39 3.14 0.00 0.38 -1.52 -1.26 -3.96 119.66 113.04 1va1 s GLN 542 Ca 0.81 0.07 0.00 0.00 -1.95 0.00 0.00 55.36 54.29 1va1 s GLN 542 Cb -0.37 -4.19 0.00 0.00 -0.22 0.00 0.00 33.01 28.22 1va1 s GLN 542 CO 0.42 -2.18 0.00 0.41 -0.25 0.00 0.00 175.29 173.69 1va1 n GLY 543 N 5.39 0.20 1.15 3.09 0.00 -1.26 -5.14 105.19 108.61 1va1 n GLY 543 Ca 0.08 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 2.43 0.00 0.66 0.00 0.00 -1.26 -4.91 105.19 102.12 1va1 n GLY 545 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.45 -3.92 1.61 2.85 -1.26 -4.98 118.16 112.91 1va1 n LYS 546 Ca 0.00 -0.46 -0.21 0.00 -1.05 0.00 0.00 58.31 56.59 1va1 n LYS 546 Cb 0.00 -0.12 -0.17 0.00 -0.65 0.00 0.00 35.03 34.09 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 -0.40 0.39 0.07 0.58 1.01 -1.26 -4.33 120.40 116.46 1va1 s VAL 547 Ca 0.11 0.04 0.02 0.00 0.00 0.00 0.00 61.98 62.16 1va1 s VAL 547 Cb -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1va1 s VAL 547 CO 0.08 0.23 -0.08 -0.31 0.00 0.00 0.00 175.10 175.02 1va1 s TYR 548 N 1.48 0.82 -0.20 5.22 1.51 -0.45 -5.05 117.35 120.68 1va1 s TYR 548 Ca -0.03 -0.69 0.15 0.00 -1.01 0.00 0.00 57.07 55.49 1va1 s TYR 548 Cb -0.13 -0.48 0.45 0.00 -0.11 0.00 0.00 41.96 41.69 1va1 s TYR 548 CO -0.03 -0.10 1.18 0.41 -1.11 0.00 0.00 175.55 175.90 1va1 n GLY 549 N 0.71 4.06 3.11 0.71 0.00 -1.26 -1.33 105.19 111.19 1va1 n GLY 549 Ca -0.17 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.78 0.24 0.21 1.61 1.02 -1.26 -4.99 119.74 113.78 1va1 s LYS 550 Ca 0.39 0.75 -0.02 0.00 0.02 0.00 0.00 55.97 57.11 1va1 s LYS 550 Cb 0.38 0.01 0.17 0.00 -0.52 0.00 0.00 37.83 37.87 1va1 s LYS 550 CO -0.05 -0.22 1.55 0.00 -0.92 0.00 0.00 175.35 175.71 1va1 h THR 551 N 6.02 1.31 -0.47 2.17 1.03 -2.00 -2.95 112.91 118.02 1va1 h THR 551 Ca -0.26 -1.68 0.04 0.00 -0.01 0.00 0.00 66.41 64.50 1va1 h THR 551 Cb 1.14 1.66 -0.03 0.00 -1.07 0.00 0.00 68.15 69.85 1va1 h THR 551 CO 0.23 0.52 0.31 0.28 -0.01 0.00 0.00 175.52 176.85 1va1 h SER 552 N 0.44 0.42 0.89 0.00 0.02 -2.02 -0.63 113.55 112.67 1va1 h SER 552 Ca 0.02 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.82 1va1 h SER 552 Cb 0.99 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 1va1 h SER 552 CO 0.09 0.29 -0.70 0.45 -1.14 0.00 0.00 176.83 175.81 1va1 h HIS 553 N 0.49 0.00 -0.29 3.45 3.86 -1.95 -3.16 115.15 117.54 1va1 h HIS 553 Ca 0.19 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 1va1 h HIS 553 Cb 0.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1va1 h HIS 553 CO -0.00 0.70 0.10 -0.07 0.86 0.00 0.00 177.93 179.53 1va1 h LEU 554 N 0.00 0.37 -0.22 2.43 4.07 -0.97 -1.21 115.31 119.78 1va1 h LEU 554 Ca -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1va1 h LEU 554 Cb 1.34 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.97 1va1 h LEU 554 CO 0.09 0.35 0.08 0.08 -1.08 0.00 0.00 178.44 177.96 1va1 h ARG 555 N 0.41 0.33 -0.12 1.13 0.11 -1.48 0.87 114.38 115.63 1va1 h ARG 555 Ca 0.10 -0.06 -0.10 0.00 0.10 0.00 0.00 59.98 60.02 1va1 h ARG 555 Cb 0.11 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.13 1va1 h ARG 555 CO -0.01 0.40 -0.39 0.00 0.10 0.00 0.00 179.97 180.07 1va1 h ALA 556 N 0.91 1.13 0.17 0.08 0.00 -1.58 -2.61 119.26 117.37 1va1 h ALA 556 Ca 0.07 -0.40 -0.30 0.00 0.00 0.00 0.00 54.91 54.28 1va1 h ALA 556 Cb 0.20 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.92 1va1 h ALA 556 CO -0.00 0.58 -1.32 1.25 0.00 0.00 0.00 179.25 179.75 1va1 h HIS 557 N 0.21 0.82 -0.55 0.00 -0.00 -0.99 -3.28 115.15 111.36 1va1 h HIS 557 Ca 0.02 -0.57 -0.00 0.00 -0.00 0.00 0.00 60.37 59.82 1va1 h HIS 557 Cb 0.79 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.13 1va1 h HIS 557 CO 0.01 1.43 0.33 -0.07 -0.00 0.00 0.00 177.93 179.64 1va1 h LEU 558 N 0.16 0.66 -2.00 0.26 3.38 0.86 -1.94 115.31 116.69 1va1 h LEU 558 Ca -0.19 -0.05 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1va1 h LEU 558 Cb 2.02 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.60 1va1 h LEU 558 CO 0.24 0.52 0.06 0.08 0.09 0.00 0.00 178.44 179.43 1va1 h ARG 559 N 0.74 0.00 -0.31 1.13 0.11 -1.57 -1.28 114.38 113.20 1va1 h ARG 559 Ca 0.20 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.15 1va1 h ARG 559 Cb -0.02 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 1va1 h ARG 559 CO -0.04 0.00 -0.34 2.35 0.10 0.00 0.00 179.97 182.04 1va1 h TRP 560 N 0.00 0.81 -0.28 4.08 2.91 -1.41 0.30 115.95 122.36 1va1 h TRP 560 Ca 0.04 -0.22 -0.09 0.00 1.13 0.00 0.00 58.89 59.75 1va1 h TRP 560 Cb 0.17 -0.18 -0.01 0.00 -0.51 0.00 0.00 29.16 28.63 1va1 h TRP 560 CO 0.00 0.94 -0.19 0.45 -1.03 0.00 0.00 178.44 178.61 1va1 h HIS 561 N 0.58 0.73 -0.01 2.65 3.86 -1.05 -3.13 115.15 118.79 1va1 h HIS 561 Ca 0.06 -0.20 -0.20 0.00 -1.16 0.00 0.00 60.37 58.87 1va1 h HIS 561 Cb 0.86 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 1va1 h HIS 561 CO 0.04 0.89 -0.88 1.79 0.86 0.00 0.00 177.93 180.63 1va1 h THR 562 N 0.36 1.45 -2.34 2.45 1.35 -1.39 -3.34 112.91 111.45 1va1 h THR 562 Ca 0.06 -2.51 -0.78 0.00 -0.55 0.00 0.00 66.41 62.63 1va1 h THR 562 Cb 0.73 2.41 -0.29 0.00 -1.73 0.00 0.00 68.15 69.27 1va1 h THR 562 CO 0.05 0.74 0.76 0.61 -0.25 0.00 0.00 175.52 177.44 1va1 n GLY 563 N 0.85 5.93 0.30 5.82 0.00 0.11 -4.65 105.19 113.54 1va1 n GLY 563 Ca -0.05 -2.62 -0.10 0.00 0.00 0.00 0.00 46.02 43.25 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 0.11 0.43 0.00 1.61 -0.58 -1.19 -4.76 120.64 116.26 1va1 n GLU 564 Ca 0.42 0.17 0.00 0.00 -0.42 0.00 0.00 57.16 57.33 1va1 n GLU 564 Cb 0.29 -1.25 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1va1 n GLU 564 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52