#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 0.00 -0.96 -0.41 2.00 -1.26 -4.80 117.12 111.69 2j8p n MET 530 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 57.70 57.33 2j8p n MET 530 Cb 0.00 -1.32 0.05 0.00 0.00 0.00 0.00 33.22 31.95 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 5.34 0.00 0.31 2.03 -2.24 -1.26 -4.76 114.28 113.70 2j8p n THR 531 Ca 0.45 -0.27 0.14 0.00 -2.27 0.00 0.00 64.05 62.10 2j8p n THR 531 Cb -0.04 -0.09 0.44 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.12 0.00 -0.32 -0.78 0.13 -1.99 -3.07 132.00 124.84 2j8p h PRO 532 Ca -0.43 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 2j8p h PRO 532 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2j8p h PRO 532 CO 0.24 0.00 -0.47 0.37 -0.23 0.00 0.00 178.00 177.92 2j8p h GLN 533 N 0.00 0.86 -0.41 0.86 -0.00 -1.95 0.76 115.11 115.23 2j8p h GLN 533 Ca 0.00 -0.49 -0.10 0.00 -0.00 0.00 0.00 58.65 58.06 2j8p h GLN 533 Cb 0.70 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.21 2j8p h GLN 533 CO 0.00 1.13 -0.16 0.22 0.00 0.00 0.00 178.83 180.02 2j8p h ASP 534 N 0.68 0.76 0.96 -0.69 3.58 -1.86 -1.26 116.42 118.59 2j8p h ASP 534 Ca 0.04 -0.25 -0.11 0.00 0.42 0.00 0.00 57.03 57.13 2j8p h ASP 534 Cb 1.06 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.88 2j8p h ASP 534 CO 0.11 0.93 -0.51 0.45 -2.88 0.00 0.00 179.24 177.34 2j8p h HIS 535 N 0.68 0.00 -0.37 0.28 3.86 -1.49 -2.63 115.15 115.49 2j8p h HIS 535 Ca 0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2j8p h HIS 535 Cb 0.65 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.12 2j8p h HIS 535 CO 0.03 0.51 0.00 -1.91 0.86 0.00 0.00 177.93 177.42 2j8p n GLU 536 N -3.49 1.90 0.24 2.45 2.13 0.25 -3.57 120.64 120.55 2j8p n GLU 536 Ca 0.00 -1.39 0.12 0.00 0.66 0.00 0.00 57.16 56.55 2j8p n GLU 536 Cb 0.62 -1.32 0.56 0.00 0.27 0.00 0.00 31.44 31.57 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 2.33 0.00 -0.30 5.31 3.64 -0.86 -2.42 116.57 124.27 2j8p h LYS 537 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2j8p h LYS 537 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 2j8p h LYS 537 CO 0.00 0.15 0.07 0.00 -2.27 0.00 0.00 179.45 177.40 2j8p h ALA 538 N 1.85 1.55 -0.79 5.00 0.00 -1.76 -1.21 119.26 123.90 2j8p h ALA 538 Ca -0.00 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.84 2j8p h ALA 538 Cb 0.62 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 2j8p h ALA 538 CO 0.02 0.34 0.52 0.00 0.00 0.00 0.00 179.25 180.13 2j8p h ALA 539 N 1.64 1.61 -0.15 0.00 0.00 -1.72 2.41 119.26 123.05 2j8p h ALA 539 Ca 0.10 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2j8p h ALA 539 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2j8p h ALA 539 CO -0.00 0.27 -0.38 1.25 0.00 0.00 0.00 179.25 180.39 2j8p h LEU 540 N 0.88 0.35 0.00 0.00 5.85 -1.35 -2.43 115.31 118.61 2j8p h LEU 540 Ca 0.34 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2j8p h LEU 540 Cb 0.20 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.13 2j8p h LEU 540 CO -0.11 0.70 -0.69 0.40 -0.34 0.00 0.00 178.44 178.40 2j8p h ILE 541 N 0.28 0.00 -0.64 4.05 1.08 -0.51 -3.32 117.51 118.45 2j8p h ILE 541 Ca 0.03 -0.94 0.05 0.00 -0.39 0.00 0.00 64.86 63.61 2j8p h ILE 541 Cb 0.80 1.58 -0.04 0.00 -3.07 0.00 0.00 36.82 36.09 2j8p h ILE 541 CO 0.06 0.00 0.43 0.24 -0.69 0.00 0.00 178.15 178.19 2j8p h MET 542 N 0.00 0.67 -0.13 2.37 2.86 0.45 0.85 114.93 122.00 2j8p h MET 542 Ca 0.00 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2j8p h MET 542 Cb 0.97 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2j8p h MET 542 CO 0.00 0.44 0.04 1.96 1.06 0.00 0.00 176.91 180.41 2j8p h GLN 543 N 0.69 0.20 -0.13 1.72 4.20 -1.64 -1.31 115.11 118.84 2j8p h GLN 543 Ca 0.27 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.78 2j8p h GLN 543 Cb 0.20 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2j8p h GLN 543 CO -0.08 0.33 -0.59 0.28 -0.67 0.00 0.00 178.83 178.10 2j8p h VAL 544 N 0.03 1.35 0.00 -0.54 2.07 -1.55 -1.50 116.25 116.11 2j8p h VAL 544 Ca 0.04 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.66 2j8p h VAL 544 Cb 0.21 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2j8p h VAL 544 CO -0.00 0.58 0.00 0.18 0.02 0.00 0.00 177.57 178.34 2j8p n LEU 545 N -3.91 0.00 -0.09 2.57 7.99 0.29 -4.57 117.00 119.28 2j8p n LEU 545 Ca -0.03 0.13 -0.09 0.00 -0.01 0.00 0.00 56.01 56.01 2j8p n LEU 545 Cb 0.62 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.81 2j8p n LEU 545 CO 0.46 0.00 -1.06 0.00 -1.51 0.00 0.00 177.39 175.28 2j8p n GLN 546 N -0.18 1.17 -1.37 3.23 0.00 -0.94 -5.02 117.38 114.26 2j8p n GLN 546 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.02 2j8p n GLN 546 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 30.24 28.82 2j8p n GLN 546 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 2j8p n LEU 547 N -2.71 -1.16 0.00 2.61 -0.00 -0.54 -4.96 117.00 110.25 2j8p n LEU 547 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.72 2j8p n LEU 547 Cb 1.00 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 44.14 2j8p n LEU 547 CO 0.32 0.00 0.00 0.41 -0.00 0.00 0.00 177.39 178.12 2j8p n THR 548 N -1.22 0.00 0.00 1.47 -1.04 -1.25 -4.97 114.28 107.26 2j8p n THR 548 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2j8p n THR 548 Cb 0.29 -0.28 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2j8p n THR 548 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2j8p n ALA 549 N -2.38 0.00 -0.33 2.41 0.00 -1.26 -4.77 120.51 114.18 2j8p n ALA 549 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2j8p n ALA 549 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 2j8p n ALA 549 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2j8p h ASP 550 N 0.00 1.08 -0.46 0.00 1.82 -1.96 1.13 116.42 118.03 2j8p h ASP 550 Ca 0.00 -0.03 -0.05 0.00 -0.39 0.00 0.00 57.03 56.57 2j8p h ASP 550 Cb 0.00 -0.27 -0.02 0.00 0.68 0.00 0.00 39.33 39.72 2j8p h ASP 550 CO 0.00 0.78 0.11 1.56 -1.61 0.00 0.00 179.24 180.08 2j8p h GLN 551 N 1.27 0.74 0.00 0.28 4.20 -1.99 -2.40 115.11 117.21 2j8p h GLN 551 Ca 0.34 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.79 2j8p h GLN 551 Cb -0.15 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 2j8p h GLN 551 CO -0.07 0.73 -0.43 0.82 -0.67 0.00 0.00 178.83 179.21 2j8p h ILE 552 N 0.62 0.89 -0.02 2.54 1.08 -1.76 -2.78 117.51 118.08 2j8p h ILE 552 Ca 0.14 -1.78 0.00 0.00 -0.39 0.00 0.00 64.86 62.84 2j8p h ILE 552 Cb 0.32 2.10 -0.00 0.00 -3.07 0.00 0.00 36.82 36.18 2j8p h ILE 552 CO 0.00 0.42 0.04 0.00 -0.69 0.00 0.00 178.15 177.92 2j8p h ALA 553 N 1.57 1.30 0.00 1.87 0.00 0.18 0.49 119.26 124.67 2j8p h ALA 553 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2j8p h ALA 553 Cb 1.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2j8p h ALA 553 CO 0.06 -0.04 0.00 -1.33 0.00 0.00 0.00 179.25 177.93 2j8p n MET 554 N -3.44 0.08 -2.83 0.00 2.81 -1.05 -4.80 117.12 107.89 2j8p n MET 554 Ca -0.03 0.12 -0.30 0.00 -1.81 0.00 0.00 57.70 55.68 2j8p n MET 554 Cb 0.11 -1.60 -0.03 0.00 -0.71 0.00 0.00 33.22 30.99 2j8p n MET 554 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2j8p s LEU 555 N -3.49 3.81 1.00 4.03 1.43 0.17 -5.08 118.68 120.55 2j8p s LEU 555 Ca 0.11 1.11 -0.15 0.00 -1.03 0.00 0.00 54.13 54.18 2j8p s LEU 555 Cb 0.15 -4.00 0.19 0.00 0.03 0.00 0.00 46.19 42.57 2j8p s LEU 555 CO 0.50 -0.42 1.18 -2.16 0.23 0.00 0.00 176.35 175.68 2j8p s PRO 556 N -3.93 0.41 0.05 1.29 0.04 -1.26 -4.84 135.00 126.76 2j8p s PRO 556 Ca 0.51 0.01 -0.16 0.00 0.04 0.00 0.00 61.00 61.40 2j8p s PRO 556 Cb -0.10 -1.78 -0.21 0.00 0.04 0.00 0.00 34.50 32.45 2j8p s PRO 556 CO 0.33 -2.64 1.19 -1.00 0.04 0.00 0.00 177.00 174.92 2j8p h PRO 557 N -1.81 0.60 0.00 0.56 0.13 -1.97 0.60 132.00 130.10 2j8p h PRO 557 Ca -0.47 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.07 2j8p h PRO 557 Cb 1.30 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.58 2j8p h PRO 557 CO 0.49 1.20 0.00 -1.91 -0.23 0.00 0.00 178.00 177.54 2j8p n GLU 558 N -4.05 0.00 -0.08 0.86 2.13 -1.26 -1.93 120.64 116.31 2j8p n GLU 558 Ca -0.10 0.38 -0.09 0.00 0.66 0.00 0.00 57.16 58.01 2j8p n GLU 558 Cb 0.74 -1.50 -0.10 0.00 0.27 0.00 0.00 31.44 30.86 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 -1.50 1.15 -0.25 5.31 6.02 -1.13 -4.40 117.38 122.57 2j8p n GLN 559 Ca 0.02 0.04 -0.09 0.00 -0.01 0.00 0.00 57.00 56.96 2j8p n GLN 559 Cb 0.08 -1.35 -0.05 0.00 1.02 0.00 0.00 30.24 29.94 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 -0.19 -0.19 -1.09 9.65 -0.18 1.11 114.38 123.48 2j8p h ARG 560 Ca -0.38 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 58.57 2j8p h ARG 560 Cb 1.74 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 30.36 2j8p h ARG 560 CO -0.02 -0.13 0.14 0.37 2.80 0.00 0.00 179.97 183.14 2j8p h GLN 561 N -0.20 0.00 -1.13 0.20 4.15 -1.61 -1.05 115.11 115.48 2j8p h GLN 561 Ca 0.17 0.00 0.32 0.00 0.77 0.00 0.00 58.65 59.91 2j8p h GLN 561 Cb 0.55 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.14 2j8p h GLN 561 CO -0.75 0.00 0.74 1.03 -1.93 0.00 0.00 178.83 177.92 2j8p h SER 562 N 0.00 0.33 -0.52 -0.69 0.87 0.11 1.51 113.55 115.16 2j8p h SER 562 Ca 0.09 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.70 2j8p h SER 562 Cb 0.38 0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 2j8p h SER 562 CO -0.00 0.01 0.21 0.40 -0.53 0.00 0.00 176.83 176.92 2j8p h ILE 563 N 0.26 1.21 -0.53 2.23 1.08 -1.09 0.47 117.51 121.15 2j8p h ILE 563 Ca 0.64 -0.68 -0.11 0.00 -0.39 0.00 0.00 64.86 64.32 2j8p h ILE 563 Cb 1.87 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 36.16 2j8p h ILE 563 CO -0.28 0.26 -0.12 0.25 -0.69 0.00 0.00 178.15 177.57 2j8p h LEU 564 N 0.81 1.00 -0.19 1.44 6.46 0.20 0.56 115.31 125.59 2j8p h LEU 564 Ca 0.19 -0.33 -0.02 0.00 -0.12 0.00 0.00 57.88 57.60 2j8p h LEU 564 Cb 0.19 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.84 2j8p h LEU 564 CO -0.01 1.12 0.06 0.40 -0.62 0.00 0.00 178.44 179.39 2j8p h ILE 565 N 0.89 1.19 -0.23 4.05 1.08 -0.50 -0.20 117.51 123.79 2j8p h ILE 565 Ca 0.14 -0.59 -0.10 0.00 -0.39 0.00 0.00 64.86 63.92 2j8p h ILE 565 Cb 0.68 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 2j8p h ILE 565 CO 0.05 0.19 -0.28 -0.07 -0.69 0.00 0.00 178.15 177.35 2j8p h LEU 566 N 0.14 0.46 -0.72 1.44 4.07 -0.78 -2.59 115.31 117.33 2j8p h LEU 566 Ca 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 2j8p h LEU 566 Cb 0.23 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.81 2j8p h LEU 566 CO -0.00 0.73 0.41 0.11 -1.08 0.00 0.00 178.44 178.60 2j8p h LYS 567 N 0.40 1.00 -0.48 1.13 1.79 0.52 -1.59 116.57 119.34 2j8p h LYS 567 Ca 0.06 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 2j8p h LYS 567 Cb 0.70 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 2j8p h LYS 567 CO 0.05 0.74 0.21 1.05 -1.08 0.00 0.00 179.45 180.42 2j8p h GLU 568 N 0.99 0.68 -0.66 3.15 -0.00 -0.67 -1.87 114.58 116.21 2j8p h GLU 568 Ca 0.26 -0.09 -0.07 0.00 -0.00 0.00 0.00 59.36 59.46 2j8p h GLU 568 Cb 0.02 -0.13 -0.03 0.00 -0.00 0.00 0.00 28.75 28.61 2j8p h GLU 568 CO -0.04 0.55 0.15 1.96 -0.00 0.00 0.00 179.01 181.63 2j8p h GLN 569 N 0.68 1.05 -0.91 1.06 7.50 -0.98 -2.39 115.11 121.11 2j8p h GLN 569 Ca 0.17 -0.25 0.01 0.00 0.50 0.00 0.00 58.65 59.09 2j8p h GLN 569 Cb 0.11 -0.14 -0.05 0.00 0.05 0.00 0.00 27.48 27.45 2j8p h GLN 569 CO -0.02 0.93 0.60 0.82 -1.50 0.00 0.00 178.83 179.66 2j8p h ILE 570 N 0.99 1.22 -0.42 2.54 2.04 -0.63 -0.94 117.51 122.31 2j8p h ILE 570 Ca 0.21 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 2j8p h ILE 570 Cb 0.36 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.31 2j8p h ILE 570 CO 0.00 0.22 0.25 1.56 0.00 0.00 0.00 178.15 180.18 2j8p h GLN 571 N 1.22 0.57 -3.19 2.37 7.50 -1.09 -3.48 115.11 119.01 2j8p h GLN 571 Ca 0.34 -0.05 0.37 0.00 0.50 0.00 0.00 58.65 59.81 2j8p h GLN 571 Cb -0.11 -0.12 -0.12 0.00 0.05 0.00 0.00 27.48 27.17 2j8p h GLN 571 CO -0.08 0.41 -0.73 1.63 -1.50 0.00 0.00 178.83 178.56 2j8p n LYS 572 N -4.44 -2.94 -2.21 1.46 4.76 -0.36 -4.67 118.16 109.76 2j8p n LYS 572 Ca 0.03 2.09 -0.31 0.00 -2.87 0.00 0.00 58.31 57.26 2j8p n LYS 572 Cb 0.08 -3.53 -0.01 0.00 -1.84 0.00 0.00 35.03 29.73 2j8p n LYS 572 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2j8p s SER 573 N -7.08 6.38 -0.22 4.39 1.04 -1.26 -4.55 113.70 112.40 2j8p s SER 573 Ca 0.00 1.38 -0.00 0.00 0.48 0.00 0.00 55.95 57.81 2j8p s SER 573 Cb 0.00 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2j8p s SER 573 CO 0.00 -0.71 0.00 0.41 0.98 0.00 0.00 173.24 173.93 2j8p n THR 574 N -2.21 -9.05 0.00 2.02 -1.04 -1.26 -4.89 114.28 97.85 2j8p n THR 574 Ca 0.05 1.30 0.00 0.00 -2.04 0.00 0.00 64.05 63.36 2j8p n THR 574 Cb 0.54 -6.06 0.00 0.00 -1.82 0.00 0.00 70.33 62.99 2j8p n THR 574 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2j8p n GLY 575 N 0.49 -0.18 0.06 3.41 0.00 -1.26 -4.94 105.19 102.77 2j8p n GLY 575 Ca 0.00 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2j8p n GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8p h ALA 576 N 0.00 -0.00 0.00 4.61 0.00 -1.83 -3.54 119.26 118.50 2j8p h ALA 576 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2j8p h ALA 576 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2j8p h ALA 576 CO 0.00 -0.22 0.00 -0.35 0.00 0.00 0.00 179.25 178.68