#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j8p n MET 530 N 0.00 -3.31 -1.13 1.57 2.00 -1.26 -4.96 117.12 110.03 2j8p n MET 530 Ca 0.00 2.60 -0.06 0.00 0.00 0.00 0.00 57.70 60.24 2j8p n MET 530 Cb 0.00 -3.91 0.03 0.00 0.00 0.00 0.00 33.22 29.34 2j8p n MET 530 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2j8p n THR 531 N -4.38 0.00 0.33 2.03 -2.24 -1.26 -4.99 114.28 103.78 2j8p n THR 531 Ca -0.07 -0.41 0.14 0.00 -2.27 0.00 0.00 64.05 61.44 2j8p n THR 531 Cb 0.70 -1.26 0.44 0.00 -2.10 0.00 0.00 70.33 68.11 2j8p n THR 531 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2j8p h PRO 532 N 0.00 0.00 -0.33 -0.78 0.13 -1.99 -3.07 132.00 125.95 2j8p h PRO 532 Ca -0.09 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.88 2j8p h PRO 532 Cb 0.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 2j8p h PRO 532 CO 0.09 0.00 -0.44 0.37 -0.23 0.00 0.00 178.00 177.79 2j8p h GLN 533 N 0.00 0.85 -0.27 0.86 -0.00 -1.94 1.44 115.11 116.05 2j8p h GLN 533 Ca 0.00 -0.48 -0.00 0.00 -0.00 0.00 0.00 58.65 58.17 2j8p h GLN 533 Cb 0.69 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.19 2j8p h GLN 533 CO 0.00 1.11 0.16 0.22 0.00 0.00 0.00 178.83 180.33 2j8p h ASP 534 N 0.68 0.32 0.21 -0.69 3.58 -1.92 1.52 116.42 120.12 2j8p h ASP 534 Ca 0.04 -0.05 -0.27 0.00 0.42 0.00 0.00 57.03 57.17 2j8p h ASP 534 Cb 1.03 -0.08 0.02 0.00 1.72 0.00 0.00 39.33 42.01 2j8p h ASP 534 CO 0.10 0.28 -1.11 1.12 -2.88 0.00 0.00 179.24 176.75 2j8p h HIS 535 N 0.34 0.86 -0.01 0.28 2.07 -1.59 -3.01 115.15 114.09 2j8p h HIS 535 Ca 0.10 -0.51 0.00 0.00 -2.85 0.00 0.00 60.37 57.11 2j8p h HIS 535 Cb 0.02 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 29.92 2j8p h HIS 535 CO -0.04 1.35 0.00 -1.91 -3.07 0.00 0.00 177.93 174.26 2j8p n GLU 536 N -3.77 1.05 0.27 5.12 2.13 0.49 -3.03 120.64 122.90 2j8p n GLU 536 Ca -0.11 -0.08 0.15 0.00 0.66 0.00 0.00 57.16 57.79 2j8p n GLU 536 Cb 0.92 -1.37 0.74 0.00 0.27 0.00 0.00 31.44 32.00 2j8p n GLU 536 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 2j8p h LYS 537 N 0.16 0.00 -0.11 5.31 3.11 0.23 -1.67 116.57 123.60 2j8p h LYS 537 Ca 0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2j8p h LYS 537 Cb 0.04 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 2j8p h LYS 537 CO 0.00 0.08 -0.32 0.00 -2.81 0.00 0.00 179.45 176.41 2j8p h ALA 538 N 1.92 1.26 -0.99 5.00 0.00 -1.76 -2.42 119.26 122.27 2j8p h ALA 538 Ca -0.00 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.65 2j8p h ALA 538 Cb 0.43 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 2j8p h ALA 538 CO 0.01 0.51 0.64 0.00 0.00 0.00 0.00 179.25 180.40 2j8p h ALA 539 N 1.48 1.45 -0.15 0.00 0.00 -1.56 3.80 119.26 124.29 2j8p h ALA 539 Ca 0.03 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 2j8p h ALA 539 Cb 0.66 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2j8p h ALA 539 CO 0.05 0.38 -0.41 1.25 0.00 0.00 0.00 179.25 180.52 2j8p h LEU 540 N 1.11 0.37 0.00 0.00 5.85 -1.54 -2.54 115.31 118.56 2j8p h LEU 540 Ca 0.44 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 2j8p h LEU 540 Cb 0.25 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 2j8p h LEU 540 CO -0.19 0.74 -0.68 0.40 -0.34 0.00 0.00 178.44 178.37 2j8p h ILE 541 N 0.29 0.09 -0.45 4.05 2.04 -0.57 -3.30 117.51 119.66 2j8p h ILE 541 Ca 0.03 -1.15 0.08 0.00 1.00 0.00 0.00 64.86 64.83 2j8p h ILE 541 Cb 0.84 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 2j8p h ILE 541 CO 0.07 0.05 0.31 0.00 0.00 0.00 0.00 178.15 178.58 2j8p h MET 542 N 0.00 0.24 -0.21 2.37 -0.00 0.76 0.19 114.93 118.28 2j8p h MET 542 Ca -0.01 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.66 2j8p h MET 542 Cb 1.07 -0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.60 2j8p h MET 542 CO 0.01 0.16 0.08 1.96 -0.00 0.00 0.00 176.91 179.12 2j8p h GLN 543 N 0.25 0.32 -0.07 -0.10 4.20 -1.63 0.04 115.11 118.12 2j8p h GLN 543 Ca 0.21 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.73 2j8p h GLN 543 Cb 0.49 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2j8p h GLN 543 CO -0.04 0.39 -0.53 0.28 -0.67 0.00 0.00 178.83 178.26 2j8p h VAL 544 N 0.19 1.36 0.00 -0.54 2.07 -1.46 -1.95 116.25 115.93 2j8p h VAL 544 Ca 0.07 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.78 2j8p h VAL 544 Cb 0.19 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2j8p h VAL 544 CO -0.00 0.53 0.00 -0.11 0.02 0.00 0.00 177.57 178.01 2j8p n LEU 545 N -3.93 0.00 -0.01 2.57 7.94 0.57 -4.63 117.00 119.52 2j8p n LEU 545 Ca -0.02 0.00 0.08 0.00 -1.11 0.00 0.00 56.01 54.96 2j8p n LEU 545 Cb 0.56 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.39 2j8p n LEU 545 CO 0.43 0.00 -0.68 0.00 -1.11 0.00 0.00 177.39 176.03 2j8p n GLN 546 N 0.00 0.49 0.00 1.96 0.00 -0.93 -5.02 117.38 113.88 2j8p n GLN 546 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 57.00 56.86 2j8p n GLN 546 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 30.24 28.87 2j8p n GLN 546 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 2j8p n LEU 547 N -2.04 0.00 -4.56 2.61 7.94 -0.04 -4.98 117.00 115.92 2j8p n LEU 547 Ca -0.03 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.46 2j8p n LEU 547 Cb 0.41 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.32 2j8p n LEU 547 CO 0.33 0.00 1.92 0.35 -1.11 0.00 0.00 177.39 178.88 2j8p n THR 548 N 0.00 0.17 0.27 1.96 -2.24 -1.26 -4.25 114.28 108.93 2j8p n THR 548 Ca 0.00 -0.55 0.10 0.00 -2.27 0.00 0.00 64.05 61.33 2j8p n THR 548 Cb 0.00 -2.51 0.73 0.00 -2.10 0.00 0.00 70.33 66.44 2j8p n THR 548 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2j8p h ALA 549 N 16.34 1.76 -0.81 6.98 0.00 -1.94 -0.36 119.26 141.23 2j8p h ALA 549 Ca -0.33 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.57 2j8p h ALA 549 Cb 1.26 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2j8p h ALA 549 CO 1.04 0.03 0.54 0.22 0.00 0.00 0.00 179.25 181.09 2j8p h ASP 550 N 0.00 0.92 -0.42 0.00 3.58 -1.97 1.23 116.42 119.76 2j8p h ASP 550 Ca -0.00 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2j8p h ASP 550 Cb 0.06 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 2j8p h ASP 550 CO 0.00 0.66 0.23 1.56 -2.88 0.00 0.00 179.24 178.81 2j8p h GLN 551 N 1.08 0.60 -0.02 0.28 4.20 -1.44 -1.33 115.11 118.47 2j8p h GLN 551 Ca 0.30 -0.07 -0.20 0.00 0.06 0.00 0.00 58.65 58.74 2j8p h GLN 551 Cb -0.09 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.57 2j8p h GLN 551 CO -0.07 0.48 -0.84 0.82 -0.67 0.00 0.00 178.83 178.56 2j8p h ILE 552 N 0.55 1.44 0.00 2.54 2.04 -1.30 -2.85 117.51 119.92 2j8p h ILE 552 Ca 0.15 -2.41 -0.00 0.00 1.00 0.00 0.00 64.86 63.59 2j8p h ILE 552 Cb 0.07 2.34 -0.00 0.00 -0.74 0.00 0.00 36.82 38.48 2j8p h ILE 552 CO -0.02 0.71 -0.01 0.00 0.00 0.00 0.00 178.15 178.83 2j8p h ALA 553 N 0.92 1.26 -0.00 1.87 0.00 0.19 0.37 119.26 123.88 2j8p h ALA 553 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2j8p h ALA 553 Cb 1.44 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 2j8p h ALA 553 CO 0.14 0.01 -0.06 0.00 0.00 0.00 0.00 179.25 179.34 2j8p n MET 554 N -3.48 0.40 -3.26 0.00 0.00 -0.54 -4.83 117.12 105.41 2j8p n MET 554 Ca -0.03 -0.07 -0.26 0.00 0.00 0.00 0.00 57.70 57.34 2j8p n MET 554 Cb 0.10 -1.50 -0.02 0.00 0.00 0.00 0.00 33.22 31.80 2j8p n MET 554 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2j8p s LEU 555 N -2.65 3.98 0.80 3.17 1.43 0.13 -5.09 118.68 120.45 2j8p s LEU 555 Ca 0.25 0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 53.85 2j8p s LEU 555 Cb 0.20 -3.47 0.07 0.00 0.03 0.00 0.00 46.19 43.02 2j8p s LEU 555 CO 0.49 -0.30 1.10 -2.16 0.23 0.00 0.00 176.35 175.71 2j8p s PRO 556 N -4.08 2.07 0.13 1.29 0.04 -1.26 -4.90 135.00 128.28 2j8p s PRO 556 Ca 0.42 0.63 -0.06 0.00 0.04 0.00 0.00 61.00 62.04 2j8p s PRO 556 Cb -0.10 -1.92 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2j8p s PRO 556 CO 0.35 -1.63 1.32 -1.00 0.04 0.00 0.00 177.00 176.08 2j8p h PRO 557 N -1.10 0.50 0.00 0.56 0.13 -1.97 -1.36 132.00 128.76 2j8p h PRO 557 Ca -0.47 -0.48 0.00 0.00 -0.87 0.00 0.00 66.00 64.18 2j8p h PRO 557 Cb 1.27 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2j8p h PRO 557 CO 0.59 1.12 0.00 -1.91 -0.23 0.00 0.00 178.00 177.58 2j8p n GLU 558 N -3.80 0.07 -0.10 0.86 2.13 -1.26 -2.04 120.64 116.49 2j8p n GLU 558 Ca -0.07 0.47 -0.13 0.00 0.66 0.00 0.00 57.16 58.09 2j8p n GLU 558 Cb 0.80 -1.67 -0.10 0.00 0.27 0.00 0.00 31.44 30.74 2j8p n GLU 558 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2j8p n GLN 559 N -1.81 0.66 -0.01 5.31 6.02 -1.11 -4.40 117.38 122.04 2j8p n GLN 559 Ca 0.01 0.10 -0.07 0.00 -0.01 0.00 0.00 57.00 57.02 2j8p n GLN 559 Cb 0.08 -1.40 -0.05 0.00 1.02 0.00 0.00 30.24 29.89 2j8p n GLN 559 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2j8p h ARG 560 N 0.00 -0.25 -0.37 -1.09 9.65 -0.64 0.44 114.38 122.11 2j8p h ARG 560 Ca -0.45 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 58.56 2j8p h ARG 560 Cb 1.74 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 30.37 2j8p h ARG 560 CO -0.05 -0.17 0.65 0.37 2.80 0.00 0.00 179.97 183.57 2j8p h GLN 561 N -0.26 0.00 -0.66 0.20 4.15 -1.44 0.89 115.11 117.99 2j8p h GLN 561 Ca 0.02 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.39 2j8p h GLN 561 Cb 0.31 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 2j8p h GLN 561 CO -0.21 0.00 0.24 1.03 -1.93 0.00 0.00 178.83 177.96 2j8p h SER 562 N 0.00 0.91 -0.64 -0.69 0.87 -0.33 -1.81 113.55 111.85 2j8p h SER 562 Ca 0.18 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 2j8p h SER 562 Cb 1.47 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 63.17 2j8p h SER 562 CO -0.00 0.83 0.34 0.40 -0.53 0.00 0.00 176.83 177.87 2j8p h ILE 563 N 0.96 1.21 -0.74 2.23 2.04 0.11 -0.41 117.51 122.91 2j8p h ILE 563 Ca 0.22 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 2j8p h ILE 563 Cb 0.23 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 2j8p h ILE 563 CO -0.01 0.24 0.31 0.25 0.00 0.00 0.00 178.15 178.93 2j8p h LEU 564 N 0.93 0.99 -0.18 1.44 6.46 -1.34 1.35 115.31 124.97 2j8p h LEU 564 Ca 0.23 -0.14 -0.02 0.00 -0.12 0.00 0.00 57.88 57.83 2j8p h LEU 564 Cb 0.07 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.73 2j8p h LEU 564 CO -0.03 0.87 0.01 0.40 -0.62 0.00 0.00 178.44 179.07 2j8p h ILE 565 N 1.07 1.24 -0.15 4.05 2.04 -0.76 -0.15 117.51 124.84 2j8p h ILE 565 Ca 0.25 -0.79 -0.11 0.00 1.00 0.00 0.00 64.86 65.20 2j8p h ILE 565 Cb 0.18 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2j8p h ILE 565 CO -0.02 0.24 -0.40 0.25 0.00 0.00 0.00 178.15 178.21 2j8p h LEU 566 N 0.07 0.35 -0.11 1.44 6.46 -0.72 -1.15 115.31 121.65 2j8p h LEU 566 Ca 0.05 -0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.66 2j8p h LEU 566 Cb 0.35 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 2j8p h LEU 566 CO 0.01 0.72 0.06 0.11 -0.62 0.00 0.00 178.44 178.72 2j8p h LYS 567 N 0.28 0.15 -0.33 1.25 1.79 0.21 -0.63 116.57 119.29 2j8p h LYS 567 Ca 0.03 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.41 2j8p h LYS 567 Cb 0.83 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 2j8p h LYS 567 CO 0.07 0.17 -0.10 1.05 -1.08 0.00 0.00 179.45 179.56 2j8p h GLU 568 N 0.09 0.56 -0.63 3.15 4.11 -0.86 -2.44 114.58 118.57 2j8p h GLU 568 Ca 0.04 -0.16 -0.03 0.00 0.07 0.00 0.00 59.36 59.28 2j8p h GLU 568 Cb 0.06 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2j8p h GLU 568 CO -0.01 0.66 0.27 1.96 0.07 0.00 0.00 179.01 181.97 2j8p h GLN 569 N 0.52 0.90 -0.63 1.06 4.20 -0.70 -1.51 115.11 118.96 2j8p h GLN 569 Ca 0.10 -0.13 0.05 0.00 0.06 0.00 0.00 58.65 58.72 2j8p h GLN 569 Cb 0.49 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 28.07 2j8p h GLN 569 CO 0.03 0.72 0.41 0.82 -0.67 0.00 0.00 178.83 180.14 2j8p h ILE 570 N 0.89 1.05 -0.68 2.54 2.04 -0.62 -1.03 117.51 121.69 2j8p h ILE 570 Ca 0.22 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2j8p h ILE 570 Cb 0.14 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.48 2j8p h ILE 570 CO -0.02 0.13 0.44 1.56 0.00 0.00 0.00 178.15 180.25 2j8p h GLN 571 N 0.69 0.91 -4.36 2.37 1.08 -1.23 -3.48 115.11 111.09 2j8p h GLN 571 Ca 0.26 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.39 2j8p h GLN 571 Cb 0.16 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.37 2j8p h GLN 571 CO -0.08 0.63 -0.77 1.63 -0.95 0.00 0.00 178.83 179.29 2j8p n LYS 572 N -4.58 -2.51 -4.03 1.46 5.02 -0.39 -5.03 118.16 108.09 2j8p n LYS 572 Ca 0.06 2.14 -0.31 0.00 -2.02 0.00 0.00 58.31 58.18 2j8p n LYS 572 Cb 0.03 -3.81 -0.16 0.00 -0.02 0.00 0.00 35.03 31.08 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2j8p s SER 573 N -0.88 2.95 -0.39 4.39 0.15 -1.26 -5.06 113.70 113.61 2j8p s SER 573 Ca -0.06 -0.62 0.03 0.00 0.70 0.00 0.00 55.95 56.00 2j8p s SER 573 Cb 0.00 -1.24 0.16 0.00 -1.71 0.00 0.00 66.02 63.23 2j8p s SER 573 CO 0.52 -0.07 0.34 -0.89 1.20 0.00 0.00 173.24 174.34 2j8p s THR 574 N 1.43 -0.04 0.00 6.45 2.01 -1.26 -5.09 115.64 119.14 2j8p s THR 574 Ca 0.03 -1.73 0.00 0.00 0.31 0.00 0.00 61.69 60.31 2j8p s THR 574 Cb -0.14 -0.93 0.00 0.00 0.01 0.00 0.00 72.50 71.45 2j8p s THR 574 CO -0.10 -0.87 0.00 0.61 -0.69 0.00 0.00 174.62 173.57 2j8p n GLY 575 N 3.63 1.01 3.20 4.40 0.00 -1.26 -4.97 105.19 111.20 2j8p n GLY 575 Ca 0.18 -1.47 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 2j8p n GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8p s ALA 576 N -2.00 1.19 -2.00 4.61 0.00 -1.26 -5.28 121.76 117.03 2j8p s ALA 576 Ca 0.00 -1.30 0.24 0.00 0.00 0.00 0.00 51.96 50.90 2j8p s ALA 576 Cb 0.00 0.05 1.43 0.00 0.00 0.00 0.00 23.12 24.60 2j8p s ALA 576 CO 0.00 -0.08 1.79 -0.35 0.00 0.00 0.00 175.76 177.12