#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 -0.69 -0.41 0.00 -1.26 -4.82 117.12 109.94 2j8p n MET 530 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.38 2j8p n MET 530 Cb 0.00 -1.29 0.17 0.00 0.00 0.00 0.00 33.22 32.10 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 6.46 0.00 0.81 2.03 -2.24 -1.26 -4.85 114.28 115.23 2j8p n THR 531 Ca 0.58 -0.28 0.11 0.00 -2.27 0.00 0.00 64.05 62.19 2j8p n THR 531 Cb 0.03 -0.64 0.48 0.00 -2.10 0.00 0.00 70.33 68.11 2j8p n THR 531 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2j8p n PRO 532 N -2.21 0.06 -0.08 -0.78 -0.04 -1.26 -2.95 135.00 127.75 2j8p n PRO 532 Ca 0.02 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 2j8p n PRO 532 Cb 0.59 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.54 2j8p n PRO 532 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2j8p h GLN 533 N 0.00 0.85 -0.84 0.54 -0.00 -1.95 -0.26 115.11 113.45 2j8p h GLN 533 Ca 0.00 -0.49 -0.01 0.00 -0.00 0.00 0.00 58.65 58.14 2j8p h GLN 533 Cb 0.34 0.04 -0.04 0.00 -0.00 0.00 0.00 27.48 27.82 2j8p h GLN 533 CO 0.00 1.13 0.48 0.22 -0.00 0.00 0.00 178.83 180.66 2j8p h ASP 534 N 0.67 1.04 1.00 0.06 3.58 -1.88 -0.64 116.42 120.25 2j8p h ASP 534 Ca 0.03 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.31 2j8p h ASP 534 Cb 1.06 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.84 2j8p h ASP 534 CO 0.11 0.82 -0.42 0.45 -2.88 0.00 0.00 179.24 177.32 2j8p h HIS 535 N 1.16 0.00 -0.09 0.28 3.86 -1.65 -2.49 115.15 116.22 2j8p h HIS 535 Ca 0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.51 2j8p h HIS 535 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2j8p h HIS 535 CO 0.00 0.42 0.00 -1.91 0.86 0.00 0.00 177.93 177.31 2j8p n GLU 536 N -3.45 1.39 0.29 2.45 2.13 -0.12 -3.65 120.64 119.68 2j8p n GLU 536 Ca 0.00 -0.59 0.16 0.00 0.66 0.00 0.00 57.16 57.39 2j8p n GLU 536 Cb 0.57 -1.34 0.85 0.00 0.27 0.00 0.00 31.44 31.79 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 1.20 0.00 -0.37 5.31 1.79 -0.69 -1.04 116.57 122.77 2j8p h LYS 537 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2j8p h LYS 537 Cb 0.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2j8p h LYS 537 CO 0.00 0.06 0.10 0.00 -1.08 0.00 0.00 179.45 178.54 2j8p h ALA 538 N 1.94 1.50 -0.54 3.86 0.00 -1.76 -1.08 119.26 123.17 2j8p h ALA 538 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 2j8p h ALA 538 Cb 0.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2j8p h ALA 538 CO 0.01 0.38 0.13 0.00 0.00 0.00 0.00 179.25 179.77 2j8p h ALA 539 N 1.60 1.22 -0.15 0.00 0.00 -1.47 2.09 119.26 122.54 2j8p h ALA 539 Ca 0.12 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 2j8p h ALA 539 Cb 0.18 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2j8p h ALA 539 CO -0.01 0.54 -0.36 1.25 0.00 0.00 0.00 179.25 180.68 2j8p h LEU 540 N 0.80 0.32 0.00 0.00 6.46 -1.27 -2.41 115.31 119.21 2j8p h LEU 540 Ca 0.18 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.81 2j8p h LEU 540 Cb 0.29 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 2j8p h LEU 540 CO -0.00 0.66 -0.84 0.40 -0.62 0.00 0.00 178.44 178.03 2j8p h ILE 541 N 0.27 0.00 -0.63 4.05 2.04 -0.48 -3.34 117.51 119.41 2j8p h ILE 541 Ca 0.03 -0.77 0.05 0.00 1.00 0.00 0.00 64.86 65.17 2j8p h ILE 541 Cb 0.76 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 2j8p h ILE 541 CO 0.06 0.00 0.42 0.24 0.00 0.00 0.00 178.15 178.87 2j8p h MET 542 N 0.00 0.66 -0.49 2.37 2.86 0.39 -0.98 114.93 119.74 2j8p h MET 542 Ca 0.00 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.50 2j8p h MET 542 Cb 0.88 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.37 2j8p h MET 542 CO 0.00 0.44 -0.08 1.96 1.06 0.00 0.00 176.91 180.29 2j8p h GLN 543 N 0.68 0.89 -0.24 1.72 4.20 -1.67 0.76 115.11 121.46 2j8p h GLN 543 Ca 0.26 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 2j8p h GLN 543 Cb 0.18 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2j8p h GLN 543 CO -0.08 0.94 0.05 0.28 -0.67 0.00 0.00 178.83 179.35 2j8p h VAL 544 N 0.81 1.12 0.00 -0.54 2.07 -1.38 -3.33 116.25 115.00 2j8p h VAL 544 Ca 0.14 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2j8p h VAL 544 Cb 0.60 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2j8p h VAL 544 CO 0.04 0.16 0.00 0.18 0.02 0.00 0.00 177.57 177.96 2j8p n LEU 545 N -4.39 0.00 -0.07 2.57 7.99 -0.88 -4.90 117.00 117.32 2j8p n LEU 545 Ca 0.01 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.94 2j8p n LEU 545 Cb 0.16 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.36 2j8p n LEU 545 CO 0.36 0.00 -0.95 0.00 -1.51 0.00 0.00 177.39 175.29 2j8p n GLN 546 N 0.00 1.69 -1.57 3.23 -0.00 -0.90 -5.09 117.38 114.75 2j8p n GLN 546 Ca 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2j8p n GLN 546 Cb 0.00 -1.35 -0.00 0.00 -0.00 0.00 0.00 30.24 28.89 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 -2.53 -2.32 0.00 2.61 0.00 0.26 -4.91 117.00 110.10 2j8p n LEU 547 Ca -0.23 0.10 0.00 0.00 0.00 0.00 0.00 56.01 55.88 2j8p n LEU 547 Cb 0.94 -1.14 0.00 0.00 0.00 0.00 0.00 43.42 43.22 2j8p n LEU 547 CO 0.28 -0.20 0.00 0.41 0.00 0.00 0.00 177.39 177.88 2j8p n THR 548 N 0.05 0.00 0.00 1.96 -1.04 -1.26 -4.94 114.28 109.06 2j8p n THR 548 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2j8p n THR 548 Cb 0.01 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.52 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 -1.94 0.00 -0.19 2.41 0.00 -1.26 -4.75 120.51 114.79 2j8p n ALA 549 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2j8p n ALA 549 Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 19.45 19.74 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 0.77 -0.45 0.00 1.82 -1.97 0.88 116.42 117.46 2j8p h ASP 550 Ca 0.00 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 2j8p h ASP 550 Cb 0.00 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.81 2j8p h ASP 550 CO 0.00 0.54 0.26 1.56 -1.61 0.00 0.00 179.24 179.99 2j8p h GLN 551 N 0.90 0.62 -0.01 0.28 4.20 -2.00 -1.90 115.11 117.19 2j8p h GLN 551 Ca 0.28 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.73 2j8p h GLN 551 Cb 0.01 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 2j8p h GLN 551 CO -0.07 0.47 -0.82 0.82 -0.67 0.00 0.00 178.83 178.56 2j8p h ILE 552 N 0.60 1.46 -0.02 2.54 5.03 -1.69 -2.85 117.51 122.58 2j8p h ILE 552 Ca 0.16 -2.47 0.01 0.00 -0.12 0.00 0.00 64.86 62.44 2j8p h ILE 552 Cb 0.02 2.36 -0.00 0.00 -3.03 0.00 0.00 36.82 36.17 2j8p h ILE 552 CO -0.03 0.72 0.05 0.00 -0.68 0.00 0.00 178.15 178.21 2j8p h ALA 553 N 1.00 1.29 -0.00 1.87 0.00 0.12 0.61 119.26 124.15 2j8p h ALA 553 Ca -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2j8p h ALA 553 Cb 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.22 2j8p h ALA 553 CO 0.13 -0.06 -0.11 -1.33 0.00 0.00 0.00 179.25 177.88 2j8p n MET 554 N -3.41 0.59 -4.11 0.00 2.81 -0.76 -4.83 117.12 107.40 2j8p n MET 554 Ca -0.02 -0.19 -0.26 0.00 -1.81 0.00 0.00 57.70 55.42 2j8p n MET 554 Cb 0.12 -1.50 -0.06 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 -2.54 3.70 1.01 4.03 1.43 0.21 -5.12 118.68 121.40 2j8p s LEU 555 Ca 0.27 -0.20 -0.15 0.00 -1.03 0.00 0.00 54.13 53.02 2j8p s LEU 555 Cb 0.20 -2.31 0.20 0.00 0.03 0.00 0.00 46.19 44.30 2j8p s LEU 555 CO 0.49 0.07 1.18 -2.16 0.23 0.00 0.00 176.35 176.16 2j8p s PRO 556 N -3.12 0.33 0.09 1.29 0.04 -1.26 -4.74 135.00 127.63 2j8p s PRO 556 Ca 0.30 -0.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.19 2j8p s PRO 556 Cb -0.10 -1.77 -0.20 0.00 0.04 0.00 0.00 34.50 32.47 2j8p s PRO 556 CO 0.22 -2.69 1.23 -1.00 0.04 0.00 0.00 177.00 174.81 2j8p h PRO 557 N -1.85 0.74 0.00 0.56 0.13 -1.94 1.26 132.00 130.90 2j8p h PRO 557 Ca -0.47 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 63.94 2j8p h PRO 557 Cb 1.29 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2j8p h PRO 557 CO 0.47 1.30 0.00 -1.91 -0.23 0.00 0.00 178.00 177.63 2j8p n GLU 558 N -3.88 0.02 -0.02 0.86 2.13 -1.26 -2.61 120.64 115.87 2j8p n GLU 558 Ca -0.10 0.33 -0.03 0.00 0.66 0.00 0.00 57.16 58.03 2j8p n GLU 558 Cb 0.83 -1.50 -0.02 0.00 0.27 0.00 0.00 31.44 31.02 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 -1.47 1.44 -0.31 5.31 6.02 -1.12 -4.52 117.38 122.72 2j8p n GLN 559 Ca 0.02 0.02 -0.12 0.00 -0.01 0.00 0.00 57.00 56.91 2j8p n GLN 559 Cb 0.10 -1.09 -0.10 0.00 1.02 0.00 0.00 30.24 30.17 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 -0.14 -0.32 -1.09 9.65 0.19 1.03 114.38 123.71 2j8p h ARG 560 Ca -0.10 0.01 0.05 0.00 -1.10 0.00 0.00 59.98 58.84 2j8p h ARG 560 Cb 1.19 0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.78 2j8p h ARG 560 CO -0.01 -0.09 0.22 0.37 2.80 0.00 0.00 179.97 183.26 2j8p h GLN 561 N -0.14 0.20 -1.16 0.20 4.15 -1.64 -1.10 115.11 115.62 2j8p h GLN 561 Ca 0.12 -0.01 0.33 0.00 0.77 0.00 0.00 58.65 59.86 2j8p h GLN 561 Cb 0.47 -0.05 -0.10 0.00 0.21 0.00 0.00 27.48 28.01 2j8p h GLN 561 CO -0.80 0.13 0.75 1.03 -1.93 0.00 0.00 178.83 178.02 2j8p h SER 562 N 0.21 0.33 -0.53 -0.69 0.87 0.89 1.01 113.55 115.63 2j8p h SER 562 Ca 0.14 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2j8p h SER 562 Cb 0.30 0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2j8p h SER 562 CO -0.02 -0.01 0.25 -0.29 -0.53 0.00 0.00 176.83 176.23 2j8p h ILE 563 N 0.25 1.20 -0.96 2.23 6.09 -0.97 0.12 117.51 125.47 2j8p h ILE 563 Ca 0.67 -0.56 0.03 0.00 -1.37 0.00 0.00 64.86 63.63 2j8p h ILE 563 Cb 1.95 0.60 -0.05 0.00 0.47 0.00 0.00 36.82 39.79 2j8p h ILE 563 CO -0.30 0.22 0.63 0.25 -3.07 0.00 0.00 178.15 175.88 2j8p h LEU 564 N 0.70 1.06 -0.32 2.19 6.46 0.91 1.50 115.31 127.81 2j8p h LEU 564 Ca 0.18 -0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 2j8p h LEU 564 Cb 0.12 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.79 2j8p h LEU 564 CO -0.02 0.73 0.06 0.40 -0.62 0.00 0.00 178.44 178.99 2j8p h ILE 565 N 1.23 1.23 -0.38 4.05 2.04 -0.62 1.65 117.51 126.71 2j8p h ILE 565 Ca 0.38 -0.79 -0.14 0.00 1.00 0.00 0.00 64.86 65.31 2j8p h ILE 565 Cb -0.02 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2j8p h ILE 565 CO -0.11 0.26 -0.31 -0.07 0.00 0.00 0.00 178.15 177.93 2j8p h LEU 566 N 0.36 0.86 -0.06 1.44 4.07 -0.08 0.50 115.31 122.40 2j8p h LEU 566 Ca 0.10 -0.35 -0.02 0.00 0.08 0.00 0.00 57.88 57.68 2j8p h LEU 566 Cb 0.33 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 2j8p h LEU 566 CO 0.00 1.10 -0.06 0.11 -1.08 0.00 0.00 178.44 178.52 2j8p h LYS 567 N 0.70 0.14 -0.22 1.13 6.56 0.23 -2.54 116.57 122.57 2j8p h LYS 567 Ca 0.08 -0.07 -0.06 0.00 -1.06 0.00 0.00 60.65 59.53 2j8p h LYS 567 Cb 0.86 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.51 2j8p h LYS 567 CO 0.08 0.59 -0.13 1.05 -2.06 0.00 0.00 179.45 178.98 2j8p h GLU 568 N -0.31 0.37 -0.75 3.15 -0.00 0.25 -2.35 114.58 114.94 2j8p h GLU 568 Ca 0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 59.36 59.25 2j8p h GLU 568 Cb 0.57 -0.04 -0.04 0.00 -0.00 0.00 0.00 28.75 29.24 2j8p h GLU 568 CO 0.01 0.50 0.40 1.96 -0.00 0.00 0.00 179.01 181.88 2j8p h GLN 569 N 0.35 1.04 -0.68 1.06 4.20 0.09 -1.41 115.11 119.76 2j8p h GLN 569 Ca 0.07 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.68 2j8p h GLN 569 Cb 0.44 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 2j8p h GLN 569 CO 0.03 0.78 0.45 0.82 -0.67 0.00 0.00 178.83 180.23 2j8p h ILE 570 N 1.05 1.11 -0.70 2.54 2.04 -0.98 -1.35 117.51 121.21 2j8p h ILE 570 Ca 0.26 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2j8p h ILE 570 Cb 0.05 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.29 2j8p h ILE 570 CO -0.04 0.15 0.45 1.56 0.00 0.00 0.00 178.15 180.27 2j8p h GLN 571 N 0.84 0.94 -4.40 2.37 1.08 -1.22 -3.48 115.11 111.24 2j8p h GLN 571 Ca 0.27 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 2j8p h GLN 571 Cb 0.03 -0.21 -0.03 0.00 -0.05 0.00 0.00 27.48 27.23 2j8p h GLN 571 CO -0.07 0.64 -0.97 1.63 -0.95 0.00 0.00 178.83 179.11 2j8p n LYS 572 N -4.57 -4.30 0.15 1.46 5.02 -0.51 -5.05 118.16 110.36 2j8p n LYS 572 Ca 0.06 3.22 0.00 0.00 -2.02 0.00 0.00 58.31 59.57 2j8p n LYS 572 Cb 0.03 -4.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.85 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 1.53 -1.55 -2.83 4.39 2.88 -1.26 -5.10 113.62 111.68 2j8p n SER 573 Ca -0.09 0.55 -0.01 0.00 -1.33 0.00 0.00 58.87 57.99 2j8p n SER 573 Cb 0.14 1.59 0.00 0.00 -0.75 0.00 0.00 64.21 65.20 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 -3.29 -9.02 -0.08 2.46 -1.04 -1.26 -5.01 114.28 97.04 2j8p n THR 574 Ca 0.00 -0.12 -0.08 0.00 -2.04 0.00 0.00 64.05 61.80 2j8p n THR 574 Cb 0.00 -6.50 -0.03 0.00 -1.82 0.00 0.00 70.33 61.98 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 -1.55 -0.72 3.46 3.41 0.00 -1.26 -5.02 105.19 103.50 2j8p n GLY 575 Ca 0.01 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.81 2.70 -2.00 4.61 0.00 -1.26 -5.35 121.76 117.64 2j8p s ALA 576 Ca -0.23 -1.84 0.24 0.00 0.00 0.00 0.00 51.96 50.13 2j8p s ALA 576 Cb 0.04 -0.27 1.44 0.00 0.00 0.00 0.00 23.12 24.33 2j8p s ALA 576 CO 0.35 0.30 1.80 -0.35 0.00 0.00 0.00 175.76 177.85