#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 -0.92 1.57 2.00 -1.26 -4.81 117.12 113.69 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 -1.33 0.07 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 3.77 0.00 0.24 2.03 -2.24 -1.26 -4.78 114.28 112.04 2j8p n THR 531 Ca 0.30 -0.18 0.14 0.00 -2.27 0.00 0.00 64.05 62.03 2j8p n THR 531 Cb -0.05 -0.16 0.41 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.24 0.00 -0.38 -0.78 0.13 -2.00 -3.10 132.00 124.64 2j8p h PRO 532 Ca -0.43 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 2j8p h PRO 532 Cb 1.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 2j8p h PRO 532 CO 0.26 0.04 -0.40 0.37 -0.23 0.00 0.00 178.00 178.04 2j8p h GLN 533 N 0.00 0.94 -0.63 0.86 -0.00 -1.94 0.13 115.11 114.48 2j8p h GLN 533 Ca -0.00 -0.50 -0.04 0.00 -0.00 0.00 0.00 58.65 58.10 2j8p h GLN 533 Cb 0.78 0.02 -0.03 0.00 0.00 0.00 0.00 27.48 28.26 2j8p h GLN 533 CO 0.01 1.16 0.22 0.22 0.00 0.00 0.00 178.83 180.44 2j8p h ASP 534 N 0.76 0.86 1.24 -0.69 3.58 -1.86 0.73 116.42 121.03 2j8p h ASP 534 Ca 0.06 -0.13 -0.11 0.00 0.42 0.00 0.00 57.03 57.27 2j8p h ASP 534 Cb 1.00 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 2j8p h ASP 534 CO 0.10 0.79 -0.51 0.45 -2.88 0.00 0.00 179.24 177.18 2j8p h HIS 535 N 0.91 0.00 -0.55 0.28 3.86 -1.52 -2.94 115.15 115.20 2j8p h HIS 535 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2j8p h HIS 535 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2j8p h HIS 535 CO 0.02 0.51 0.00 0.39 0.86 0.00 0.00 177.93 179.71 2j8p n GLU 536 N -3.33 2.45 0.25 2.45 1.02 0.45 -3.93 120.64 120.00 2j8p n GLU 536 Ca 0.01 -2.23 0.13 0.00 -0.02 0.00 0.00 57.16 55.05 2j8p n GLU 536 Cb 0.68 -1.50 0.60 0.00 -0.02 0.00 0.00 31.44 31.21 2j8p n GLU 536 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2j8p h LYS 537 N 3.86 0.00 -0.11 3.49 1.79 0.63 -2.20 116.57 124.02 2j8p h LYS 537 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2j8p h LYS 537 Cb 0.87 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 2j8p h LYS 537 CO 0.00 0.12 -0.37 0.00 -1.08 0.00 0.00 179.45 178.13 2j8p h ALA 538 N 1.88 1.18 -0.90 3.86 0.00 -1.78 -2.48 119.26 121.01 2j8p h ALA 538 Ca -0.00 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.61 2j8p h ALA 538 Cb 0.58 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.22 2j8p h ALA 538 CO 0.02 0.55 0.58 0.00 0.00 0.00 0.00 179.25 180.40 2j8p h ALA 539 N 1.43 1.55 -0.22 0.00 0.00 -1.68 3.38 119.26 123.71 2j8p h ALA 539 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2j8p h ALA 539 Cb 0.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2j8p h ALA 539 CO 0.06 0.29 -0.39 1.25 0.00 0.00 0.00 179.25 180.46 2j8p h LEU 540 N 0.98 0.53 0.00 0.00 5.85 -1.55 -2.63 115.31 118.50 2j8p h LEU 540 Ca 0.40 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2j8p h LEU 540 Cb 0.27 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2j8p h LEU 540 CO -0.16 0.87 -0.64 0.40 -0.34 0.00 0.00 178.44 178.57 2j8p h ILE 541 N 0.42 0.35 -0.41 4.05 1.08 -0.64 -3.28 117.51 119.08 2j8p h ILE 541 Ca 0.04 -1.55 0.05 0.00 -0.39 0.00 0.00 64.86 63.01 2j8p h ILE 541 Cb 0.87 2.02 -0.02 0.00 -3.07 0.00 0.00 36.82 36.61 2j8p h ILE 541 CO 0.07 0.20 0.27 0.00 -0.69 0.00 0.00 178.15 178.01 2j8p h MET 542 N 0.00 0.35 -0.02 2.37 -0.00 0.65 0.75 114.93 119.03 2j8p h MET 542 Ca -0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 59.65 2j8p h MET 542 Cb 1.22 -0.08 -0.00 0.00 -0.00 0.00 0.00 31.60 32.74 2j8p h MET 542 CO 0.03 0.23 0.01 1.96 -0.00 0.00 0.00 176.91 179.14 2j8p h GLN 543 N 0.36 0.03 -0.07 -0.10 4.20 -1.60 0.24 115.11 118.17 2j8p h GLN 543 Ca 0.17 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.71 2j8p h GLN 543 Cb 0.24 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2j8p h GLN 543 CO -0.04 0.19 -0.69 0.28 -0.67 0.00 0.00 178.83 177.90 2j8p h VAL 544 N -0.13 1.39 0.00 -0.54 2.07 -1.55 -1.97 116.25 115.53 2j8p h VAL 544 Ca 0.01 -2.12 0.00 0.00 0.82 0.00 0.00 66.70 65.41 2j8p h VAL 544 Cb 0.17 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2j8p h VAL 544 CO -0.00 0.63 0.00 0.18 0.02 0.00 0.00 177.57 178.40 2j8p n LEU 545 N -3.84 0.00 -0.08 2.57 4.32 0.26 -4.61 117.00 115.62 2j8p n LEU 545 Ca -0.03 0.17 -0.09 0.00 -0.02 0.00 0.00 56.01 56.04 2j8p n LEU 545 Cb 0.68 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.36 2j8p n LEU 545 CO 0.47 0.00 -1.03 0.00 -1.22 0.00 0.00 177.39 175.61 2j8p n GLN 546 N -0.21 1.29 -0.09 3.23 3.00 -0.74 -5.00 117.38 118.86 2j8p n GLN 546 Ca 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2j8p n GLN 546 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.67 0.00 -3.71 1.08 7.94 0.78 -5.00 117.00 115.42 2j8p n LEU 547 Ca -0.27 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.51 2j8p n LEU 547 Cb 0.98 -0.04 -0.12 0.00 0.53 0.00 0.00 43.42 44.76 2j8p n LEU 547 CO 0.30 0.00 -0.08 -0.89 -1.11 0.00 0.00 177.39 175.62 2j8p s THR 548 N -2.00 -0.10 -1.93 1.96 2.01 -1.23 -4.86 115.64 109.48 2j8p s THR 548 Ca 0.00 0.15 0.31 0.00 0.31 0.00 0.00 61.69 62.47 2j8p s THR 548 Cb 0.00 -0.45 0.82 0.00 0.01 0.00 0.00 72.50 72.88 2j8p s THR 548 CO 0.00 0.06 2.17 0.00 -0.69 0.00 0.00 174.62 176.16 2j8p n ALA 549 N 4.42 2.66 -0.07 7.40 0.00 -1.26 -3.54 120.51 130.10 2j8p n ALA 549 Ca -0.22 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2j8p n ALA 549 Cb 0.53 -1.49 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 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 0.14 0.32 -0.38 0.00 1.82 -1.98 1.01 116.42 117.35 2j8p h ASP 550 Ca 0.00 -0.08 -0.14 0.00 -0.39 0.00 0.00 57.03 56.42 2j8p h ASP 550 Cb 0.08 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 2j8p h ASP 550 CO 0.00 0.31 -0.31 1.56 -1.61 0.00 0.00 179.24 179.19 2j8p h GLN 551 N 0.31 0.92 -0.14 0.28 7.50 -2.00 -2.76 115.11 119.23 2j8p h GLN 551 Ca 0.09 -0.44 -0.10 0.00 0.50 0.00 0.00 58.65 58.71 2j8p h GLN 551 Cb 0.05 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.57 2j8p h GLN 551 CO -0.02 1.10 -0.35 0.82 -1.50 0.00 0.00 178.83 178.88 2j8p h ILE 552 N 0.77 1.28 -0.22 2.54 1.08 -1.62 -2.15 117.51 119.19 2j8p h ILE 552 Ca 0.08 -1.38 -0.01 0.00 -0.39 0.00 0.00 64.86 63.16 2j8p h ILE 552 Cb 0.89 1.56 -0.01 0.00 -3.07 0.00 0.00 36.82 36.19 2j8p h ILE 552 CO 0.08 0.42 0.08 0.00 -0.69 0.00 0.00 178.15 178.04 2j8p h ALA 553 N 1.40 1.73 -0.01 1.87 0.00 0.14 0.15 119.26 124.54 2j8p h ALA 553 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2j8p h ALA 553 Cb 0.73 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2j8p h ALA 553 CO 0.06 0.22 -0.08 -1.33 0.00 0.00 0.00 179.25 178.11 2j8p n MET 554 N -4.44 1.03 -3.68 0.00 2.81 -0.84 -4.84 117.12 107.16 2j8p n MET 554 Ca 0.00 -0.43 -0.33 0.00 -1.81 0.00 0.00 57.70 55.13 2j8p n MET 554 Cb 0.13 -1.49 -0.05 0.00 -0.71 0.00 0.00 33.22 31.09 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 -2.27 4.32 0.99 4.03 1.43 0.52 -5.10 118.68 122.60 2j8p s LEU 555 Ca 0.34 0.62 -0.15 0.00 -1.03 0.00 0.00 54.13 53.92 2j8p s LEU 555 Cb 0.21 -3.06 0.19 0.00 0.03 0.00 0.00 46.19 43.55 2j8p s LEU 555 CO 0.43 0.14 1.18 -2.16 0.23 0.00 0.00 176.35 176.16 2j8p s PRO 556 N -2.23 0.48 0.08 1.29 0.04 -1.26 -4.80 135.00 128.60 2j8p s PRO 556 Ca 0.35 0.04 -0.14 0.00 0.04 0.00 0.00 61.00 61.29 2j8p s PRO 556 Cb -0.13 -1.79 -0.21 0.00 0.04 0.00 0.00 34.50 32.42 2j8p s PRO 556 CO 0.21 -2.60 1.22 -1.00 0.04 0.00 0.00 177.00 174.88 2j8p h PRO 557 N -1.78 0.71 0.00 0.56 0.13 -1.97 0.39 132.00 130.04 2j8p h PRO 557 Ca -0.48 -0.69 0.00 0.00 -0.87 0.00 0.00 66.00 63.96 2j8p h PRO 557 Cb 1.30 0.18 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2j8p h PRO 557 CO 0.50 1.28 0.00 -1.91 -0.23 0.00 0.00 178.00 177.64 2j8p n GLU 558 N -3.92 0.03 -0.05 0.86 2.13 -1.26 -2.40 120.64 116.02 2j8p n GLU 558 Ca -0.10 0.32 -0.07 0.00 0.66 0.00 0.00 57.16 57.97 2j8p n GLU 558 Cb 0.81 -1.50 -0.06 0.00 0.27 0.00 0.00 31.44 30.97 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 -1.45 0.88 0.07 5.31 6.02 -1.12 -4.38 117.38 122.69 2j8p n GLN 559 Ca 0.03 0.05 -0.05 0.00 -0.01 0.00 0.00 57.00 57.02 2j8p n GLN 559 Cb 0.10 -1.23 -0.02 0.00 1.02 0.00 0.00 30.24 30.10 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 -0.23 0.00 -1.09 2.43 0.14 -0.68 114.38 114.95 2j8p h ARG 560 Ca -0.25 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.93 2j8p h ARG 560 Cb 1.44 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.04 2j8p h ARG 560 CO -0.03 -0.16 0.28 0.37 -1.51 0.00 0.00 179.97 178.92 2j8p h GLN 561 N -0.24 0.00 -0.69 0.20 -0.00 -1.62 0.12 115.11 112.88 2j8p h GLN 561 Ca -0.01 0.00 0.10 0.00 -0.00 0.00 0.00 58.65 58.74 2j8p h GLN 561 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.65 2j8p h GLN 561 CO -0.03 0.00 0.46 1.03 0.00 0.00 0.00 178.83 180.29 2j8p h SER 562 N 0.00 0.49 -0.75 -0.69 0.87 -1.32 0.12 113.55 112.27 2j8p h SER 562 Ca 0.00 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.54 2j8p h SER 562 Cb 0.55 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 2j8p h SER 562 CO 0.00 0.29 0.36 0.40 -0.53 0.00 0.00 176.83 177.35 2j8p h ILE 563 N 0.54 1.24 -0.77 2.23 2.04 -0.74 -0.83 117.51 121.22 2j8p h ILE 563 Ca 0.32 -0.69 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2j8p h ILE 563 Cb 0.52 0.27 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 2j8p h ILE 563 CO -0.10 0.29 0.48 0.25 0.00 0.00 0.00 178.15 179.07 2j8p h LEU 564 N 1.09 0.91 -0.14 1.44 6.46 -0.91 1.30 115.31 125.46 2j8p h LEU 564 Ca 0.26 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.95 2j8p h LEU 564 Cb 0.12 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 39.81 2j8p h LEU 564 CO -0.03 0.69 -0.01 0.40 -0.62 0.00 0.00 178.44 178.86 2j8p h ILE 565 N 1.06 1.27 -0.28 4.05 2.04 -0.90 -1.09 117.51 123.67 2j8p h ILE 565 Ca 0.28 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 65.15 2j8p h ILE 565 Cb -0.07 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2j8p h ILE 565 CO -0.06 0.26 -0.24 -0.07 0.00 0.00 0.00 178.15 178.05 2j8p h LEU 566 N -0.02 0.54 -1.20 1.44 3.38 -0.59 -2.34 115.31 116.51 2j8p h LEU 566 Ca 0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2j8p h LEU 566 Cb 0.41 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2j8p h LEU 566 CO 0.01 0.77 0.31 0.11 0.09 0.00 0.00 178.44 179.73 2j8p h LYS 567 N 0.47 0.87 -0.55 1.13 1.79 0.19 -1.48 116.57 118.99 2j8p h LYS 567 Ca 0.07 -0.10 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 2j8p h LYS 567 Cb 0.67 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.12 2j8p h LYS 567 CO 0.05 0.66 0.06 0.93 -1.08 0.00 0.00 179.45 180.07 2j8p h GLU 568 N 0.87 0.88 -0.68 3.15 5.08 -0.66 -2.53 114.58 120.69 2j8p h GLU 568 Ca 0.22 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 2j8p h GLU 568 Cb 0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2j8p h GLU 568 CO -0.03 0.84 0.12 1.96 -1.00 0.00 0.00 179.01 180.90 2j8p h GLN 569 N 0.83 1.11 -0.72 2.33 1.08 -1.01 -2.23 115.11 116.51 2j8p h GLN 569 Ca 0.17 -0.29 0.02 0.00 -1.45 0.00 0.00 58.65 57.10 2j8p h GLN 569 Cb 0.41 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 27.67 2j8p h GLN 569 CO 0.01 1.00 0.47 0.82 -0.95 0.00 0.00 178.83 180.19 2j8p h ILE 570 N 1.04 1.16 -0.54 2.54 2.04 -0.95 -1.23 117.51 121.57 2j8p h ILE 570 Ca 0.21 -0.32 -0.09 0.00 1.00 0.00 0.00 64.86 65.66 2j8p h ILE 570 Cb 0.42 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 2j8p h ILE 570 CO 0.01 0.17 -0.01 1.56 0.00 0.00 0.00 178.15 179.88 2j8p h GLN 571 N 0.94 0.94 -2.55 2.37 7.50 -1.02 -3.49 115.11 119.80 2j8p h GLN 571 Ca 0.27 -0.28 0.19 0.00 0.50 0.00 0.00 58.65 59.32 2j8p h GLN 571 Cb -0.06 -0.09 -0.10 0.00 0.05 0.00 0.00 27.48 27.27 2j8p h GLN 571 CO -0.06 0.93 -0.86 1.63 -1.50 0.00 0.00 178.83 178.97 2j8p n LYS 572 N -4.19 -2.53 -1.55 1.46 5.02 -0.47 -4.48 118.16 111.42 2j8p n LYS 572 Ca 0.03 2.05 -0.27 0.00 -2.02 0.00 0.00 58.31 58.09 2j8p n LYS 572 Cb 0.33 -2.81 -0.05 0.00 -0.02 0.00 0.00 35.03 32.48 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2j8p n SER 573 N -3.33 2.05 -2.72 4.39 2.88 -1.26 -4.67 113.62 110.97 2j8p n SER 573 Ca -0.05 -0.90 -0.06 0.00 -1.33 0.00 0.00 58.87 56.53 2j8p n SER 573 Cb 0.45 -1.60 0.05 0.00 -0.75 0.00 0.00 64.21 62.36 2j8p n SER 573 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2j8p n THR 574 N 8.30 0.00 0.00 2.46 5.66 -1.26 -5.00 114.28 124.44 2j8p n THR 574 Ca 0.42 -1.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 2j8p n THR 574 Cb 0.49 1.20 0.00 0.00 -1.55 0.00 0.00 70.33 70.47 2j8p n THR 574 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2j8p n GLY 575 N 1.89 -2.18 0.05 1.09 0.00 -1.26 -4.98 105.19 99.79 2j8p n GLY 575 Ca 0.08 0.83 -0.12 0.00 0.00 0.00 0.00 46.02 46.81 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 2.00 -0.00 0.00 4.61 0.00 -1.97 -3.56 119.26 120.33 2j8p h ALA 576 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 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 -0.42 0.00 -0.35 0.00 0.00 0.00 179.25 178.48