#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 0.14 -0.29 -0.41 0.00 -1.26 -5.00 117.12 110.31 2j8p n MET 530 Ca 0.00 -0.35 0.04 0.00 0.00 0.00 0.00 57.70 57.39 2j8p n MET 530 Cb 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 33.22 33.70 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 -0.20 0.00 0.41 3.17 -2.24 -1.26 -1.96 114.28 112.20 2j8p n THR 531 Ca -0.00 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.91 2j8p n THR 531 Cb 0.15 -0.10 0.44 0.00 -2.10 0.00 0.00 70.33 68.73 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 -0.40 -0.78 0.13 -2.02 -3.07 132.00 125.87 2j8p h PRO 532 Ca 0.01 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.98 2j8p h PRO 532 Cb 0.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.38 2j8p h PRO 532 CO 0.00 0.00 -0.36 1.96 -0.23 0.00 0.00 178.00 179.37 2j8p h GLN 533 N 0.00 0.95 -0.49 0.86 7.50 -1.93 0.95 115.11 122.95 2j8p h GLN 533 Ca 0.00 -0.48 -0.10 0.00 0.50 0.00 0.00 58.65 58.57 2j8p h GLN 533 Cb 0.63 0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.15 2j8p h GLN 533 CO 0.00 1.14 -0.08 0.22 -1.50 0.00 0.00 178.83 178.62 2j8p h ASP 534 N 0.78 0.91 1.19 1.46 3.58 -1.29 1.28 116.42 124.33 2j8p h ASP 534 Ca 0.07 -0.34 -0.12 0.00 0.42 0.00 0.00 57.03 57.06 2j8p h ASP 534 Cb 0.96 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.74 2j8p h ASP 534 CO 0.09 1.04 -0.55 0.45 -2.88 0.00 0.00 179.24 177.39 2j8p h HIS 535 N 0.77 0.00 -0.54 0.28 3.86 -1.52 -2.97 115.15 115.03 2j8p h HIS 535 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2j8p h HIS 535 Cb 0.62 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.09 2j8p h HIS 535 CO 0.05 0.55 0.00 -1.91 0.86 0.00 0.00 177.93 177.48 2j8p n GLU 536 N -3.36 2.55 0.25 2.45 2.13 0.33 -3.78 120.64 121.22 2j8p n GLU 536 Ca 0.01 -2.38 0.14 0.00 0.66 0.00 0.00 57.16 55.59 2j8p n GLU 536 Cb 0.70 -1.53 0.61 0.00 0.27 0.00 0.00 31.44 31.49 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 4.25 0.00 -0.26 5.31 1.57 0.18 -2.34 116.57 125.29 2j8p h LYS 537 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2j8p h LYS 537 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2j8p h LYS 537 CO 0.00 0.11 -0.11 0.00 -0.57 0.00 0.00 179.45 178.89 2j8p h ALA 538 N 1.89 1.34 -0.75 3.86 0.00 -1.77 -1.89 119.26 121.93 2j8p h ALA 538 Ca -0.00 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.74 2j8p h ALA 538 Cb 0.58 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 2j8p h ALA 538 CO 0.01 0.45 0.49 0.00 0.00 0.00 0.00 179.25 180.20 2j8p h ALA 539 N 1.50 1.70 -0.37 0.00 0.00 -1.72 1.77 119.26 122.14 2j8p h ALA 539 Ca 0.08 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2j8p h ALA 539 Cb 0.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2j8p h ALA 539 CO 0.02 0.17 0.25 1.25 0.00 0.00 0.00 179.25 180.94 2j8p h LEU 540 N 0.77 0.37 0.00 0.00 5.85 -1.45 -0.36 115.31 120.49 2j8p h LEU 540 Ca 0.33 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.04 2j8p h LEU 540 Cb 0.30 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.24 2j8p h LEU 540 CO -0.12 0.26 -1.27 -0.38 -0.34 0.00 0.00 178.44 176.60 2j8p n ILE 541 N -4.48 0.06 -0.06 4.05 5.41 0.71 -4.20 119.36 120.85 2j8p n ILE 541 Ca 0.03 -0.22 0.06 0.00 1.00 0.00 0.00 62.75 63.63 2j8p n ILE 541 Cb 0.12 0.45 0.43 0.00 -0.71 0.00 0.00 39.64 39.93 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 0.00 0.54 -0.49 0.38 4.05 0.43 0.11 114.93 119.95 2j8p h MET 542 Ca 0.00 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 2j8p h MET 542 Cb 0.71 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 2j8p h MET 542 CO 0.00 0.36 0.25 -0.56 0.23 0.00 0.00 176.91 177.19 2j8p h GLN 543 N 0.56 0.69 -0.09 0.39 3.07 -1.69 -1.65 115.11 116.38 2j8p h GLN 543 Ca 0.21 -0.09 -0.14 0.00 0.09 0.00 0.00 58.65 58.72 2j8p h GLN 543 Cb 0.15 -0.13 -0.01 0.00 0.08 0.00 0.00 27.48 27.57 2j8p h GLN 543 CO -0.06 0.56 -0.57 0.28 0.09 0.00 0.00 178.83 179.13 2j8p h VAL 544 N 0.64 1.37 0.00 1.86 2.07 -1.55 -2.88 116.25 117.76 2j8p h VAL 544 Ca 0.17 -1.90 0.00 0.00 0.82 0.00 0.00 66.70 65.79 2j8p h VAL 544 Cb 0.09 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2j8p h VAL 544 CO -0.02 0.57 0.00 -0.11 0.02 0.00 0.00 177.57 178.02 2j8p n LEU 545 N -3.90 0.00 -0.07 2.57 -0.00 0.27 -4.71 117.00 111.17 2j8p n LEU 545 Ca -0.02 0.03 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 2j8p n LEU 545 Cb 0.60 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.94 2j8p n LEU 545 CO 0.45 0.00 -0.95 0.00 -0.00 0.00 0.00 177.39 176.88 2j8p n GLN 546 N -0.03 1.18 -0.06 1.96 3.00 -0.95 -5.03 117.38 117.45 2j8p n GLN 546 Ca 0.00 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2j8p n GLN 546 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 28.93 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 -2.71 -0.04 -3.21 1.08 7.94 -0.67 -5.01 117.00 114.38 2j8p n LEU 547 Ca -0.24 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.70 2j8p n LEU 547 Cb 0.84 -0.01 -0.01 0.00 0.53 0.00 0.00 43.42 44.76 2j8p n LEU 547 CO 0.20 0.00 0.20 0.42 -1.11 0.00 0.00 177.39 177.10 2j8p s THR 548 N -2.01 -0.96 -0.57 1.96 -4.23 -1.26 -4.95 115.64 103.62 2j8p s THR 548 Ca 0.00 0.00 0.16 0.00 -1.18 0.00 0.00 61.69 60.67 2j8p s THR 548 Cb 0.00 -1.00 0.16 0.00 1.34 0.00 0.00 72.50 73.00 2j8p s THR 548 CO 0.00 0.00 1.49 0.00 -0.54 0.00 0.00 174.62 175.57 2j8p n ALA 549 N 5.43 1.27 -0.12 3.99 0.00 -1.26 -1.83 120.51 127.98 2j8p n ALA 549 Ca -0.03 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.42 2j8p n ALA 549 Cb 0.51 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 0.48 -0.42 0.00 1.82 -1.97 1.66 116.42 117.99 2j8p h ASP 550 Ca 0.00 -0.09 -0.14 0.00 -0.39 0.00 0.00 57.03 56.41 2j8p h ASP 550 Cb 0.12 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 2j8p h ASP 550 CO 0.00 0.43 -0.29 1.56 -1.61 0.00 0.00 179.24 179.33 2j8p h GLN 551 N 0.49 0.95 0.00 0.28 4.20 -1.80 -2.67 115.11 116.56 2j8p h GLN 551 Ca 0.13 -0.45 -0.07 0.00 0.06 0.00 0.00 58.65 58.32 2j8p h GLN 551 Cb 0.06 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 2j8p h GLN 551 CO -0.02 1.11 -0.36 0.82 -0.67 0.00 0.00 178.83 179.71 2j8p h ILE 552 N 0.80 0.79 -0.02 2.54 1.08 -1.45 -2.65 117.51 118.60 2j8p h ILE 552 Ca 0.09 -1.54 0.01 0.00 -0.39 0.00 0.00 64.86 63.02 2j8p h ILE 552 Cb 0.87 1.98 -0.00 0.00 -3.07 0.00 0.00 36.82 36.60 2j8p h ILE 552 CO 0.08 0.35 0.05 0.00 -0.69 0.00 0.00 178.15 177.93 2j8p h ALA 553 N 1.64 1.27 0.00 1.87 0.00 0.28 0.27 119.26 124.60 2j8p h ALA 553 Ca -0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2j8p h ALA 553 Cb 0.95 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2j8p h ALA 553 CO 0.05 -0.06 -0.08 0.52 0.00 0.00 0.00 179.25 179.68 2j8p h MET 554 N 0.00 0.00 -5.92 0.00 2.86 -1.49 -3.43 114.93 106.95 2j8p h MET 554 Ca 0.01 0.00 -0.62 0.00 -2.06 0.00 0.00 59.70 57.03 2j8p h MET 554 Cb 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.71 2j8p h MET 554 CO -0.00 0.08 -0.41 -0.51 1.06 0.00 0.00 176.91 177.13 2j8p s LEU 555 N -6.46 4.36 0.99 1.22 1.43 0.96 -5.10 118.68 116.08 2j8p s LEU 555 Ca 0.00 0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 53.44 2j8p s LEU 555 Cb 0.10 -2.77 0.19 0.00 0.03 0.00 0.00 46.19 43.73 2j8p s LEU 555 CO 0.57 0.22 1.18 -2.16 0.23 0.00 0.00 176.35 176.39 2j8p s PRO 556 N -2.00 0.44 0.09 1.29 0.04 -1.26 -4.75 135.00 128.85 2j8p s PRO 556 Ca 0.30 0.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.23 2j8p s PRO 556 Cb -0.13 -1.78 -0.20 0.00 0.04 0.00 0.00 34.50 32.43 2j8p s PRO 556 CO 0.19 -2.62 1.23 -1.00 0.04 0.00 0.00 177.00 174.85 2j8p h PRO 557 N -1.80 0.73 0.00 0.56 0.13 -1.96 1.02 132.00 130.68 2j8p h PRO 557 Ca -0.48 -0.72 0.00 0.00 -0.87 0.00 0.00 66.00 63.94 2j8p h PRO 557 Cb 1.30 0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.61 2j8p h PRO 557 CO 0.49 1.30 0.00 -1.91 -0.23 0.00 0.00 178.00 177.65 2j8p n GLU 558 N -3.88 0.04 -0.03 0.86 2.13 -1.26 -2.71 120.64 115.79 2j8p n GLU 558 Ca -0.10 0.30 -0.04 0.00 0.66 0.00 0.00 57.16 57.99 2j8p n GLU 558 Cb 0.84 -1.50 -0.03 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 -1.44 0.42 -0.34 5.31 6.02 -1.12 -4.72 117.38 121.50 2j8p n GLN 559 Ca 0.03 0.03 -0.07 0.00 -0.01 0.00 0.00 57.00 56.98 2j8p n GLN 559 Cb 0.10 -1.12 -0.03 0.00 1.02 0.00 0.00 30.24 30.21 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 -0.07 -1.51 -1.09 2.43 0.13 1.45 114.38 115.73 2j8p h ARG 560 Ca -0.13 0.00 0.46 0.00 -0.81 0.00 0.00 59.98 59.51 2j8p h ARG 560 Cb 1.21 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 2j8p h ARG 560 CO -0.02 -0.04 1.03 0.37 -1.51 0.00 0.00 179.97 179.80 2j8p h GLN 561 N -0.07 0.05 -1.00 0.20 4.15 -1.64 0.71 115.11 117.51 2j8p h GLN 561 Ca 0.23 -0.00 0.35 0.00 0.77 0.00 0.00 58.65 60.00 2j8p h GLN 561 Cb 0.53 -0.01 -0.16 0.00 0.21 0.00 0.00 27.48 28.05 2j8p h GLN 561 CO -0.89 0.03 0.56 0.66 -1.93 0.00 0.00 178.83 177.27 2j8p h SER 562 N 0.05 0.46 -0.69 -0.69 4.64 0.17 1.56 113.55 119.06 2j8p h SER 562 Ca 0.82 0.21 0.01 0.00 -0.47 0.00 0.00 61.79 62.36 2j8p h SER 562 Cb 2.90 0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 65.13 2j8p h SER 562 CO -0.24 -0.22 0.46 -0.29 -0.87 0.00 0.00 176.83 175.66 2j8p h ILE 563 N 0.23 1.17 -0.59 0.95 2.10 0.33 0.28 117.51 121.99 2j8p h ILE 563 Ca 0.77 -0.32 0.02 0.00 1.08 0.00 0.00 64.86 66.41 2j8p h ILE 563 Cb 1.84 0.16 -0.03 0.00 -1.09 0.00 0.00 36.82 37.70 2j8p h ILE 563 CO -0.65 0.17 0.39 0.25 -1.08 0.00 0.00 178.15 177.23 2j8p h LEU 564 N 0.93 0.63 -0.12 2.19 6.46 0.21 1.36 115.31 126.97 2j8p h LEU 564 Ca 0.25 -0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.90 2j8p h LEU 564 Cb -0.10 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.68 2j8p h LEU 564 CO -0.06 0.45 -0.32 0.40 -0.62 0.00 0.00 178.44 178.29 2j8p h ILE 565 N 0.74 1.38 -0.34 4.05 2.04 -0.15 0.65 117.51 125.88 2j8p h ILE 565 Ca 0.23 -1.63 -0.05 0.00 1.00 0.00 0.00 64.86 64.41 2j8p h ILE 565 Cb 0.00 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 2j8p h ILE 565 CO -0.06 0.48 0.04 0.25 0.00 0.00 0.00 178.15 178.86 2j8p h LEU 566 N 0.01 0.56 -0.67 1.44 7.12 0.36 -1.05 115.31 123.07 2j8p h LEU 566 Ca -0.01 -0.28 -0.13 0.00 0.13 0.00 0.00 57.88 57.60 2j8p h LEU 566 Cb 0.94 -0.15 -0.01 0.00 -0.53 0.00 0.00 40.66 40.91 2j8p h LEU 566 CO 0.07 0.70 -0.34 0.50 -0.13 0.00 0.00 178.44 179.23 2j8p h LYS 567 N 0.40 0.65 -0.57 1.25 1.63 0.18 -2.72 116.57 117.38 2j8p h LYS 567 Ca 0.10 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.59 2j8p h LYS 567 Cb 0.39 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 2j8p h LYS 567 CO 0.01 0.90 0.32 0.93 -3.45 0.00 0.00 179.45 178.16 2j8p h GLU 568 N 0.54 0.78 -0.69 1.90 4.39 0.61 -1.61 114.58 120.50 2j8p h GLU 568 Ca 0.06 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2j8p h GLU 568 Cb 0.85 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.30 2j8p h GLU 568 CO 0.07 0.57 0.29 1.96 -1.16 0.00 0.00 179.01 180.74 2j8p h GLN 569 N 0.79 1.00 -0.83 2.33 4.20 -0.88 -1.32 115.11 120.41 2j8p h GLN 569 Ca 0.20 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2j8p h GLN 569 Cb 0.01 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.57 2j8p h GLN 569 CO -0.03 0.80 0.54 0.82 -0.67 0.00 0.00 178.83 180.29 2j8p h ILE 570 N 0.99 1.16 -0.62 2.54 2.04 -1.20 -1.83 117.51 120.60 2j8p h ILE 570 Ca 0.23 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.63 2j8p h ILE 570 Cb 0.16 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2j8p h ILE 570 CO -0.02 0.20 0.01 1.56 0.00 0.00 0.00 178.15 179.89 2j8p h GLN 571 N 1.07 1.08 -7.00 2.37 7.50 -1.15 -3.44 115.11 115.55 2j8p h GLN 571 Ca 0.32 -0.34 -0.52 0.00 0.50 0.00 0.00 58.65 58.61 2j8p h GLN 571 Cb -0.05 -0.10 0.08 0.00 0.05 0.00 0.00 27.48 27.46 2j8p h GLN 571 CO -0.09 1.05 0.52 0.15 -1.50 0.00 0.00 178.83 178.96 2j8p s LYS 572 N -5.04 3.71 -1.22 1.46 1.02 -0.56 -4.89 119.74 114.21 2j8p s LYS 572 Ca -0.12 1.90 -0.20 0.00 0.02 0.00 0.00 55.97 57.57 2j8p s LYS 572 Cb 0.14 -2.45 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 2j8p s LYS 572 CO 0.86 -0.63 1.78 0.45 -0.92 0.00 0.00 175.35 176.89 2j8p s SER 573 N -1.20 6.18 0.27 2.83 0.15 -1.26 -4.91 113.70 115.75 2j8p s SER 573 Ca 0.63 -2.05 -0.29 0.00 0.70 0.00 0.00 55.95 54.94 2j8p s SER 573 Cb -0.32 -2.58 -0.09 0.00 -1.71 0.00 0.00 66.02 61.32 2j8p s SER 573 CO 0.39 -1.86 1.04 -0.89 1.20 0.00 0.00 173.24 173.12 2j8p s THR 574 N 6.65 3.70 0.13 6.45 2.01 -1.26 -4.96 115.64 128.36 2j8p s THR 574 Ca 0.58 1.70 -0.31 0.00 0.31 0.00 0.00 61.69 63.98 2j8p s THR 574 Cb 0.02 -4.08 -0.07 0.00 0.01 0.00 0.00 72.50 68.38 2j8p s THR 574 CO 0.08 0.40 1.57 1.23 -0.69 0.00 0.00 174.62 177.20 2j8p h GLY 575 N 3.89 -0.83 -7.49 4.40 0.00 -1.99 -3.28 103.07 97.78 2j8p h GLY 575 Ca -0.46 0.60 -0.68 0.00 0.00 0.00 0.00 47.33 46.80 2j8p h GLY 575 CO 0.67 -0.19 -0.47 0.00 0.00 0.00 0.00 176.54 176.55 2j8p s ALA 576 N -5.79 3.46 -2.00 3.60 0.00 -1.26 -5.31 121.76 114.45 2j8p s ALA 576 Ca -0.15 -3.23 0.24 0.00 0.00 0.00 0.00 51.96 48.82 2j8p s ALA 576 Cb 0.09 -2.46 1.43 0.00 0.00 0.00 0.00 23.12 22.18 2j8p s ALA 576 CO 0.63 -2.06 1.80 -0.35 0.00 0.00 0.00 175.76 175.78