#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 1.57 2.00 -1.26 -4.80 117.12 113.67 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 0.05 0.00 0.00 0.00 0.00 33.22 31.94 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 5.36 0.00 0.33 2.03 -2.24 -1.26 -4.76 114.28 113.74 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 -0.08 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 -1.11 0.00 -0.31 -0.78 0.13 -2.00 -3.07 132.00 124.86 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 0.00 178.00 177.91 2j8p h GLN 533 N 0.00 0.84 -0.56 0.86 -0.00 -1.97 -1.86 115.11 112.42 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 0.69 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 28.19 2j8p h GLN 533 CO 0.00 1.13 -0.05 0.22 0.00 0.00 0.00 178.83 180.13 2j8p h ASP 534 N 0.67 0.99 0.52 -0.69 3.58 -1.86 -1.99 116.42 117.64 2j8p h ASP 534 Ca 0.03 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.14 2j8p h ASP 534 Cb 1.06 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2j8p h ASP 534 CO 0.11 1.07 -0.21 0.45 -2.88 0.00 0.00 179.24 177.78 2j8p h HIS 535 N 0.91 0.00 -0.04 0.28 3.86 -1.50 -0.82 115.15 117.84 2j8p h HIS 535 Ca 0.16 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2j8p h HIS 535 Cb 0.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2j8p h HIS 535 CO 0.04 0.21 0.00 -1.91 0.86 0.00 0.00 177.93 177.13 2j8p n GLU 536 N -3.67 1.17 0.25 2.45 2.13 -0.71 -3.36 120.64 118.90 2j8p n GLU 536 Ca -0.01 -0.26 0.14 0.00 0.66 0.00 0.00 57.16 57.69 2j8p n GLU 536 Cb 0.33 -1.27 0.62 0.00 0.27 0.00 0.00 31.44 31.39 2j8p n GLU 536 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2j8p h LYS 537 N 0.50 0.00 -0.10 5.31 1.79 -1.00 -2.18 116.57 120.89 2j8p h LYS 537 Ca 0.00 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.35 2j8p h LYS 537 Cb 0.11 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2j8p h LYS 537 CO 0.00 0.11 -0.47 0.00 -1.08 0.00 0.00 179.45 178.01 2j8p h ALA 538 N 1.89 1.03 -0.80 3.86 0.00 -1.76 -2.66 119.26 120.81 2j8p h ALA 538 Ca -0.00 -0.45 0.09 0.00 0.00 0.00 0.00 54.91 54.55 2j8p h ALA 538 Cb 0.57 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2j8p h ALA 538 CO 0.01 0.63 0.52 0.00 0.00 0.00 0.00 179.25 180.42 2j8p h ALA 539 N 1.32 1.75 -0.20 0.00 0.00 -1.64 2.94 119.26 123.42 2j8p h ALA 539 Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2j8p h ALA 539 Cb 0.90 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2j8p h ALA 539 CO 0.07 0.09 -0.09 1.25 0.00 0.00 0.00 179.25 180.57 2j8p h LEU 540 N 0.75 0.30 -0.64 0.00 5.85 -1.56 -1.51 115.31 118.49 2j8p h LEU 540 Ca 0.37 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2j8p h LEU 540 Cb 0.44 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2j8p h LEU 540 CO -0.14 0.43 -0.63 -0.38 -0.34 0.00 0.00 178.44 177.37 2j8p n ILE 541 N -4.28 0.00 -0.16 4.05 5.41 0.10 -4.24 119.36 120.24 2j8p n ILE 541 Ca -0.00 -0.17 -0.06 0.00 1.00 0.00 0.00 62.75 63.52 2j8p n ILE 541 Cb 0.26 1.11 0.10 0.00 -0.71 0.00 0.00 39.64 40.39 2j8p n ILE 541 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 2j8p h MET 542 N 1.57 0.94 -0.20 0.38 4.05 0.62 0.59 114.93 122.87 2j8p h MET 542 Ca 0.00 -0.27 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 2j8p h MET 542 Cb 0.66 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 2j8p h MET 542 CO 0.00 0.92 0.03 1.96 0.23 0.00 0.00 176.91 180.04 2j8p h GLN 543 N 0.87 0.34 -0.14 0.39 4.20 -1.72 -1.73 115.11 117.32 2j8p h GLN 543 Ca 0.16 -0.10 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 2j8p h GLN 543 Cb 0.49 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2j8p h GLN 543 CO 0.02 0.51 -0.50 0.28 -0.67 0.00 0.00 178.83 178.47 2j8p h VAL 544 N 0.13 1.33 0.00 -0.54 2.07 -1.74 -1.93 116.25 115.57 2j8p h VAL 544 Ca 0.06 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.85 2j8p h VAL 544 Cb 0.33 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2j8p h VAL 544 CO 0.01 0.53 0.00 0.18 0.02 0.00 0.00 177.57 178.30 2j8p n LEU 545 N -3.96 0.00 -0.06 2.57 4.32 0.21 -4.60 117.00 115.48 2j8p n LEU 545 Ca -0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 56.01 55.94 2j8p n LEU 545 Cb 0.56 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.24 2j8p n LEU 545 CO 0.44 0.00 -0.90 0.00 -1.22 0.00 0.00 177.39 175.71 2j8p n GLN 546 N 0.00 1.31 -0.96 3.23 0.00 -1.06 -5.01 117.38 114.89 2j8p n GLN 546 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 57.00 56.96 2j8p n GLN 546 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 30.24 28.86 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 -2.41 -0.69 -3.43 2.61 -0.00 -0.68 -5.02 117.00 107.37 2j8p n LEU 547 Ca -0.18 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.84 2j8p n LEU 547 Cb 0.83 -0.20 -0.03 0.00 -0.00 0.00 0.00 43.42 44.02 2j8p n LEU 547 CO 0.32 0.00 0.32 0.42 -0.00 0.00 0.00 177.39 178.45 2j8p s THR 548 N -2.29 -0.86 0.18 1.47 -4.23 -1.24 -4.95 115.64 103.73 2j8p s THR 548 Ca 0.00 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.79 2j8p s THR 548 Cb 0.00 -1.00 0.30 0.00 1.34 0.00 0.00 72.50 73.14 2j8p s THR 548 CO 0.00 0.00 1.93 0.00 -0.54 0.00 0.00 174.62 176.01 2j8p h ALA 549 N 7.90 1.05 -0.85 3.99 0.00 -1.97 -2.57 119.26 126.81 2j8p h ALA 549 Ca -0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2j8p h ALA 549 Cb 1.12 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2j8p h ALA 549 CO 0.12 0.16 0.45 0.22 0.00 0.00 0.00 179.25 180.21 2j8p h ASP 550 N 0.00 1.08 -0.34 0.00 3.58 -1.97 1.60 116.42 120.37 2j8p h ASP 550 Ca -0.00 -0.10 -0.12 0.00 0.42 0.00 0.00 57.03 57.23 2j8p h ASP 550 Cb 0.59 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2j8p h ASP 550 CO 0.02 0.88 -0.25 1.56 -2.88 0.00 0.00 179.24 178.57 2j8p h GLN 551 N 1.20 0.77 0.00 0.28 4.20 -1.88 -2.85 115.11 116.82 2j8p h GLN 551 Ca 0.30 -0.37 -0.11 0.00 0.06 0.00 0.00 58.65 58.52 2j8p h GLN 551 Cb 0.05 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 2j8p h GLN 551 CO -0.05 0.99 -0.54 0.82 -0.67 0.00 0.00 178.83 179.39 2j8p h ILE 552 N 0.54 1.14 0.00 2.54 1.08 -1.34 -2.82 117.51 118.66 2j8p h ILE 552 Ca 0.07 -2.03 -0.01 0.00 -0.39 0.00 0.00 64.86 62.50 2j8p h ILE 552 Cb 0.81 2.18 -0.00 0.00 -3.07 0.00 0.00 36.82 36.74 2j8p h ILE 552 CO 0.07 0.53 -0.04 0.00 -0.69 0.00 0.00 178.15 178.02 2j8p h ALA 553 N 1.46 1.87 0.00 1.87 0.00 0.25 0.26 119.26 124.97 2j8p h ALA 553 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2j8p h ALA 553 Cb 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2j8p h ALA 553 CO 0.07 0.04 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 2j8p n MET 554 N -4.39 0.16 -3.44 0.00 2.81 -1.06 -4.77 117.12 106.42 2j8p n MET 554 Ca -0.03 0.08 -0.32 0.00 -1.81 0.00 0.00 57.70 55.62 2j8p n MET 554 Cb 0.12 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.08 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 -2.80 4.17 0.96 4.03 1.43 0.91 -5.09 118.68 122.30 2j8p s LEU 555 Ca 0.17 0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 54.01 2j8p s LEU 555 Cb 0.16 -3.65 0.17 0.00 0.03 0.00 0.00 46.19 42.90 2j8p s LEU 555 CO 0.40 -0.06 1.16 -2.16 0.23 0.00 0.00 176.35 175.92 2j8p s PRO 556 N -2.81 0.70 0.15 1.29 0.04 -1.26 -4.79 135.00 128.30 2j8p s PRO 556 Ca 0.47 0.12 -0.03 0.00 0.04 0.00 0.00 61.00 61.60 2j8p s PRO 556 Cb -0.11 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2j8p s PRO 556 CO 0.22 -2.47 1.35 -1.00 0.04 0.00 0.00 177.00 175.14 2j8p h PRO 557 N -1.69 0.40 0.00 0.56 0.13 -1.97 0.37 132.00 129.80 2j8p h PRO 557 Ca -0.49 -0.39 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 2j8p h PRO 557 Cb 1.31 0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2j8p h PRO 557 CO 0.54 1.05 0.00 -1.91 -0.23 0.00 0.00 178.00 177.45 2j8p n GLU 558 N -3.77 0.52 -0.01 0.86 4.07 -1.26 -2.99 120.64 118.05 2j8p n GLU 558 Ca -0.06 0.04 -0.01 0.00 -0.06 0.00 0.00 57.16 57.07 2j8p n GLU 558 Cb 0.79 -1.50 -0.01 0.00 -0.06 0.00 0.00 31.44 30.66 2j8p n GLU 558 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2j8p n GLN 559 N -1.10 1.47 -0.15 5.31 6.02 -1.09 -4.54 117.38 123.31 2j8p n GLN 559 Ca 0.13 0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.99 2j8p n GLN 559 Cb 0.10 -1.04 -0.10 0.00 1.02 0.00 0.00 30.24 30.22 2j8p n GLN 559 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2j8p h ARG 560 N 0.00 -0.37 -0.13 -1.09 3.08 -0.16 0.68 114.38 116.38 2j8p h ARG 560 Ca -0.05 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.07 2j8p h ARG 560 Cb 1.08 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2j8p h ARG 560 CO -0.00 -0.25 0.11 0.37 -1.07 0.00 0.00 179.97 179.13 2j8p h GLN 561 N -0.38 0.00 -1.18 0.04 4.15 -1.68 -1.22 115.11 114.84 2j8p h GLN 561 Ca 0.08 0.00 0.34 0.00 0.77 0.00 0.00 58.65 59.83 2j8p h GLN 561 Cb 0.59 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.19 2j8p h GLN 561 CO -0.61 0.00 0.80 1.03 -1.93 0.00 0.00 178.83 178.12 2j8p h SER 562 N 0.00 0.25 -0.53 -0.69 0.87 0.14 1.63 113.55 115.22 2j8p h SER 562 Ca 0.06 0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 2j8p h SER 562 Cb 0.29 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 2j8p h SER 562 CO -0.00 0.00 0.25 0.40 -0.53 0.00 0.00 176.83 176.95 2j8p h ILE 563 N 0.19 1.20 -0.53 2.23 1.08 -1.14 0.65 117.51 121.19 2j8p h ILE 563 Ca 0.65 -0.59 -0.12 0.00 -0.39 0.00 0.00 64.86 64.41 2j8p h ILE 563 Cb 2.05 0.50 -0.02 0.00 -3.07 0.00 0.00 36.82 36.29 2j8p h ILE 563 CO -0.22 0.24 -0.14 0.25 -0.69 0.00 0.00 178.15 177.59 2j8p h LEU 564 N 0.80 1.04 -0.19 1.44 6.46 0.22 0.51 115.31 125.59 2j8p h LEU 564 Ca 0.20 -0.36 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 2j8p h LEU 564 Cb 0.13 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2j8p h LEU 564 CO -0.02 1.16 0.06 0.40 -0.62 0.00 0.00 178.44 179.43 2j8p h ILE 565 N 0.91 1.18 -0.28 4.05 2.04 -0.63 -0.35 117.51 124.43 2j8p h ILE 565 Ca 0.13 -0.55 -0.09 0.00 1.00 0.00 0.00 64.86 65.35 2j8p h ILE 565 Cb 0.71 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.97 2j8p h ILE 565 CO 0.05 0.17 -0.22 -0.07 0.00 0.00 0.00 178.15 178.09 2j8p h LEU 566 N 0.14 0.53 -1.19 1.44 4.07 -0.76 -2.33 115.31 117.21 2j8p h LEU 566 Ca 0.06 -0.17 -0.02 0.00 0.08 0.00 0.00 57.88 57.83 2j8p h LEU 566 Cb 0.21 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 2j8p h LEU 566 CO -0.00 0.75 0.28 0.11 -1.08 0.00 0.00 178.44 178.50 2j8p h LYS 567 N 0.47 0.84 -0.58 1.13 1.79 0.42 -1.52 116.57 119.12 2j8p h LYS 567 Ca 0.07 -0.11 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2j8p h LYS 567 Cb 0.64 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.11 2j8p h LYS 567 CO 0.05 0.66 0.26 0.93 -1.08 0.00 0.00 179.45 180.26 2j8p h GLU 568 N 0.84 0.83 -0.80 3.15 4.39 -0.51 -2.08 114.58 120.40 2j8p h GLU 568 Ca 0.21 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 2j8p h GLU 568 Cb 0.10 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 2j8p h GLU 568 CO -0.03 0.66 0.39 1.96 -1.16 0.00 0.00 179.01 180.83 2j8p h GLN 569 N 0.82 1.15 -0.53 2.33 4.20 -1.12 -1.68 115.11 120.27 2j8p h GLN 569 Ca 0.20 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.75 2j8p h GLN 569 Cb 0.12 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.67 2j8p h GLN 569 CO -0.02 0.88 0.35 0.82 -0.67 0.00 0.00 178.83 180.19 2j8p h ILE 570 N 1.13 1.14 -0.30 2.54 2.04 -1.09 -0.51 117.51 122.47 2j8p h ILE 570 Ca 0.27 -0.25 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 2j8p h ILE 570 Cb 0.11 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 2j8p h ILE 570 CO -0.04 0.13 -0.03 1.56 0.00 0.00 0.00 178.15 179.78 2j8p h GLN 571 N 0.72 0.47 -5.02 2.37 7.50 -0.98 -3.48 115.11 116.69 2j8p h GLN 571 Ca 0.20 -0.10 0.01 0.00 0.50 0.00 0.00 58.65 59.25 2j8p h GLN 571 Cb -0.08 -0.07 -0.13 0.00 0.05 0.00 0.00 27.48 27.25 2j8p h GLN 571 CO -0.04 0.52 -1.58 1.63 -1.50 0.00 0.00 178.83 177.86 2j8p n LYS 572 N -4.28 -4.57 0.13 1.46 5.02 -0.20 -5.00 118.16 110.72 2j8p n LYS 572 Ca 0.01 3.45 0.00 0.00 -2.02 0.00 0.00 58.31 59.75 2j8p n LYS 572 Cb 0.25 -5.11 0.00 0.00 -0.02 0.00 0.00 35.03 30.15 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 1.66 -2.39 -2.51 4.39 2.88 -1.26 -5.10 113.62 111.29 2j8p n SER 573 Ca -0.40 0.61 -0.02 0.00 -1.33 0.00 0.00 58.87 57.72 2j8p n SER 573 Cb 0.62 2.40 -0.02 0.00 -0.75 0.00 0.00 64.21 66.47 2j8p n SER 573 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2j8p n THR 574 N -3.09 -9.71 0.00 2.46 -1.04 -1.26 -5.03 114.28 96.61 2j8p n THR 574 Ca 0.00 2.17 0.00 0.00 -2.04 0.00 0.00 64.05 64.18 2j8p n THR 574 Cb 0.00 -5.15 0.00 0.00 -1.82 0.00 0.00 70.33 63.36 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 1.93 -1.82 3.57 3.41 0.00 -1.26 -5.17 105.19 105.84 2j8p n GLY 575 Ca -0.16 0.83 -0.27 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 2.93 -2.00 4.61 0.00 -1.26 -5.31 121.76 120.73 2j8p s ALA 576 Ca 0.00 -1.49 0.24 0.00 0.00 0.00 0.00 51.96 50.72 2j8p s ALA 576 Cb 0.00 -0.72 1.44 0.00 0.00 0.00 0.00 23.12 23.84 2j8p s ALA 576 CO 0.00 0.46 1.80 -0.35 0.00 0.00 0.00 175.76 177.67