#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 -0.91 -0.41 2.00 -1.26 -4.82 117.12 111.73 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 31.97 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 3.95 0.00 0.26 2.03 -2.24 -1.26 -4.75 114.28 112.28 2j8p n THR 531 Ca 0.31 -0.17 0.15 0.00 -2.27 0.00 0.00 64.05 62.07 2j8p n THR 531 Cb -0.05 -0.18 0.44 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 -1.29 0.00 -0.38 -0.78 0.13 -1.99 -3.08 132.00 124.61 2j8p h PRO 532 Ca -0.44 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.53 2j8p h PRO 532 Cb 1.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.49 2j8p h PRO 532 CO 0.26 0.00 -0.39 0.37 -0.23 0.00 0.00 178.00 178.01 2j8p h GLN 533 N 0.00 0.94 -0.60 0.86 -0.00 -1.92 1.07 115.11 115.46 2j8p h GLN 533 Ca 0.00 -0.50 -0.10 0.00 -0.00 0.00 0.00 58.65 58.05 2j8p h GLN 533 Cb 0.74 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.22 2j8p h GLN 533 CO 0.00 1.16 -0.02 0.22 0.00 0.00 0.00 178.83 180.19 2j8p h ASP 534 N 0.76 1.05 0.54 -0.69 3.58 -1.86 0.78 116.42 120.57 2j8p h ASP 534 Ca 0.06 -0.31 -0.23 0.00 0.42 0.00 0.00 57.03 56.97 2j8p h ASP 534 Cb 0.99 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 41.76 2j8p h ASP 534 CO 0.10 1.11 -1.00 0.45 -2.88 0.00 0.00 179.24 177.02 2j8p h HIS 535 N 0.96 0.43 -0.35 0.28 3.86 -1.47 -3.02 115.15 115.84 2j8p h HIS 535 Ca 0.17 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 2j8p h HIS 535 Cb 0.58 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.01 2j8p h HIS 535 CO 0.04 1.11 0.00 -1.91 0.86 0.00 0.00 177.93 178.03 2j8p n GLU 536 N -3.64 1.89 0.24 2.45 2.13 0.37 -3.68 120.64 120.41 2j8p n GLU 536 Ca -0.06 -1.38 0.12 0.00 0.66 0.00 0.00 57.16 56.51 2j8p n GLU 536 Cb 0.88 -1.33 0.58 0.00 0.27 0.00 0.00 31.44 31.84 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 -0.17 5.31 3.11 0.71 -2.22 116.57 125.64 2j8p h LYS 537 Ca 0.00 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.76 2j8p h LYS 537 Cb 0.53 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 2j8p h LYS 537 CO 0.00 0.15 -0.25 0.00 -2.81 0.00 0.00 179.45 176.54 2j8p h ALA 538 N 1.85 1.25 -0.75 5.00 0.00 -1.78 -2.21 119.26 122.62 2j8p h ALA 538 Ca -0.00 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.66 2j8p h ALA 538 Cb 0.59 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2j8p h ALA 538 CO 0.02 0.50 0.49 0.00 0.00 0.00 0.00 179.25 180.26 2j8p h ALA 539 N 1.45 1.71 -0.11 0.00 0.00 -1.68 2.03 119.26 122.67 2j8p h ALA 539 Ca 0.04 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 2j8p h ALA 539 Cb 0.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2j8p h ALA 539 CO 0.04 0.16 -0.39 1.25 0.00 0.00 0.00 179.25 180.32 2j8p h LEU 540 N 0.76 0.23 -2.70 0.00 5.85 -1.50 -2.12 115.31 115.84 2j8p h LEU 540 Ca 0.33 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2j8p h LEU 540 Cb 0.30 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.27 2j8p h LEU 540 CO -0.11 0.61 0.00 -0.38 -0.34 0.00 0.00 178.44 178.21 2j8p n ILE 541 N -4.05 0.93 -0.13 4.05 -0.00 0.64 -4.38 119.36 116.43 2j8p n ILE 541 Ca -0.01 -0.96 -0.11 0.00 -0.00 0.00 0.00 62.75 61.67 2j8p n ILE 541 Cb 0.46 0.57 -0.02 0.00 -0.00 0.00 0.00 39.64 40.65 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 4.07 0.68 -0.73 0.38 4.05 0.38 -0.96 114.93 122.80 2j8p h MET 542 Ca 0.00 -0.24 -0.04 0.00 -0.28 0.00 0.00 59.70 59.15 2j8p h MET 542 Cb 0.96 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.67 2j8p h MET 542 CO 0.00 0.81 0.30 -0.56 0.23 0.00 0.00 176.91 177.69 2j8p h GLN 543 N 0.50 1.08 -0.18 0.39 -0.00 -1.76 -1.82 115.11 113.31 2j8p h GLN 543 Ca 0.10 -0.18 -0.10 0.00 -0.00 0.00 0.00 58.65 58.47 2j8p h GLN 543 Cb 0.52 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.48 27.80 2j8p h GLN 543 CO 0.03 0.87 -0.32 0.28 -0.00 0.00 0.00 178.83 179.68 2j8p h VAL 544 N 1.06 1.28 0.00 1.86 2.07 -1.78 -1.46 116.25 119.28 2j8p h VAL 544 Ca 0.25 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2j8p h VAL 544 Cb 0.18 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 2j8p h VAL 544 CO -0.02 0.42 0.00 0.18 0.02 0.00 0.00 177.57 178.16 2j8p n LEU 545 N -4.09 0.00 -0.01 2.57 7.99 -0.38 -4.60 117.00 118.49 2j8p n LEU 545 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 56.01 56.07 2j8p n LEU 545 Cb 0.43 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.62 2j8p n LEU 545 CO 0.42 0.00 -0.62 0.00 -1.51 0.00 0.00 177.39 175.68 2j8p n GLN 546 N 0.00 0.65 -0.69 3.23 3.00 -1.17 -4.99 117.38 117.41 2j8p n GLN 546 Ca 0.00 -0.13 0.00 0.00 -0.01 0.00 0.00 57.00 56.86 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 -0.11 0.00 0.00 0.00 177.06 176.95 2j8p n LEU 547 N -1.99 -0.37 -3.69 1.08 0.00 -0.55 -5.04 117.00 106.44 2j8p n LEU 547 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.86 2j8p n LEU 547 Cb 0.41 -0.17 -0.09 0.00 0.00 0.00 0.00 43.42 43.57 2j8p n LEU 547 CO 0.35 0.00 0.21 -0.89 0.00 0.00 0.00 177.39 177.06 2j8p s THR 548 N -2.03 -0.00 -0.01 1.96 2.01 -1.25 -4.91 115.64 111.40 2j8p s THR 548 Ca 0.00 0.01 0.11 0.00 0.31 0.00 0.00 61.69 62.12 2j8p s THR 548 Cb 0.00 -0.74 -0.17 0.00 0.01 0.00 0.00 72.50 71.60 2j8p s THR 548 CO 0.00 0.00 1.04 0.00 -0.69 0.00 0.00 174.62 174.97 2j8p h ALA 549 N 5.52 0.58 -0.86 7.40 0.00 -1.98 -3.27 119.26 126.66 2j8p h ALA 549 Ca -0.28 -1.01 -0.01 0.00 0.00 0.00 0.00 54.91 53.60 2j8p h ALA 549 Cb 1.18 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 2j8p h ALA 549 CO 0.18 1.22 0.48 0.22 0.00 0.00 0.00 179.25 181.35 2j8p h ASP 550 N 0.00 1.06 -0.66 0.00 3.58 -1.98 0.51 116.42 118.93 2j8p h ASP 550 Ca -0.12 -0.08 -0.07 0.00 0.42 0.00 0.00 57.03 57.18 2j8p h ASP 550 Cb 1.77 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 42.52 2j8p h ASP 550 CO 0.09 0.84 0.16 1.56 -2.88 0.00 0.00 179.24 179.01 2j8p h GLN 551 N 1.20 1.06 -0.06 0.28 4.20 -1.99 -2.40 115.11 117.40 2j8p h GLN 551 Ca 0.30 -0.26 -0.15 0.00 0.06 0.00 0.00 58.65 58.61 2j8p h GLN 551 Cb 0.01 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2j8p h GLN 551 CO -0.05 0.95 -0.63 0.82 -0.67 0.00 0.00 178.83 179.26 2j8p h ILE 552 N 0.99 1.39 0.00 2.54 1.08 -1.42 -2.54 117.51 119.55 2j8p h ILE 552 Ca 0.21 -2.03 -0.00 0.00 -0.39 0.00 0.00 64.86 62.64 2j8p h ILE 552 Cb 0.37 2.04 -0.00 0.00 -3.07 0.00 0.00 36.82 36.16 2j8p h ILE 552 CO 0.00 0.60 -0.02 0.00 -0.69 0.00 0.00 178.15 178.04 2j8p h ALA 553 N 1.17 1.25 0.00 1.87 0.00 0.47 0.30 119.26 124.32 2j8p h ALA 553 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2j8p h ALA 553 Cb 1.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2j8p h ALA 553 CO 0.10 0.02 -0.01 -1.33 0.00 0.00 0.00 179.25 178.03 2j8p n MET 554 N -3.47 0.02 -3.88 0.00 2.81 -0.96 -4.80 117.12 106.83 2j8p n MET 554 Ca -0.03 0.01 -0.30 0.00 -1.81 0.00 0.00 57.70 55.58 2j8p n MET 554 Cb 0.11 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.07 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 -3.09 4.34 1.00 4.03 1.43 0.10 -5.11 118.68 121.38 2j8p s LEU 555 Ca 0.14 0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.38 2j8p s LEU 555 Cb 0.19 -3.00 0.19 0.00 0.03 0.00 0.00 46.19 43.60 2j8p s LEU 555 CO 0.54 0.12 1.18 -2.16 0.23 0.00 0.00 176.35 176.26 2j8p s PRO 556 N -2.71 0.38 0.08 1.29 0.04 -1.26 -4.81 135.00 128.00 2j8p s PRO 556 Ca 0.36 0.01 -0.14 0.00 0.04 0.00 0.00 61.00 61.27 2j8p s PRO 556 Cb -0.12 -1.78 -0.21 0.00 0.04 0.00 0.00 34.50 32.43 2j8p s PRO 556 CO 0.28 -2.66 1.22 -1.00 0.04 0.00 0.00 177.00 174.88 2j8p h PRO 557 N -1.82 0.71 0.00 0.56 0.13 -1.97 0.21 132.00 129.82 2j8p h PRO 557 Ca -0.47 -0.70 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 0.48 1.29 0.00 -1.91 -0.23 0.00 0.00 178.00 177.63 2j8p n GLU 558 N -3.92 0.03 -0.06 0.86 2.13 -1.26 -2.22 120.64 116.21 2j8p n GLU 558 Ca -0.10 0.31 -0.07 0.00 0.66 0.00 0.00 57.16 57.96 2j8p n GLU 558 Cb 0.82 -1.50 -0.07 0.00 0.27 0.00 0.00 31.44 30.96 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 1.38 0.18 5.31 6.02 -1.12 -4.46 117.38 123.23 2j8p n GLN 559 Ca 0.03 0.03 -0.17 0.00 -0.01 0.00 0.00 57.00 56.88 2j8p n GLN 559 Cb 0.10 -1.27 -0.09 0.00 1.02 0.00 0.00 30.24 30.00 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 -0.80 -0.70 -1.09 2.43 -0.11 0.52 114.38 114.63 2j8p h ARG 560 Ca -0.29 0.05 0.20 0.00 -0.81 0.00 0.00 59.98 59.14 2j8p h ARG 560 Cb 1.56 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 31.26 2j8p h ARG 560 CO -0.01 -0.53 0.56 0.37 -1.51 0.00 0.00 179.97 178.84 2j8p h GLN 561 N -0.83 0.00 -1.21 0.20 4.15 -1.59 0.72 115.11 116.54 2j8p h GLN 561 Ca -0.02 0.00 0.36 0.00 0.77 0.00 0.00 58.65 59.76 2j8p h GLN 561 Cb 0.79 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.37 2j8p h GLN 561 CO -0.20 0.00 0.79 1.03 -1.93 0.00 0.00 178.83 178.52 2j8p h SER 562 N 0.00 0.30 -0.83 -0.69 0.87 -1.10 1.61 113.55 113.71 2j8p h SER 562 Ca 0.33 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.97 2j8p h SER 562 Cb 1.45 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 63.44 2j8p h SER 562 CO -0.00 -0.06 0.41 0.40 -0.53 0.00 0.00 176.83 177.05 2j8p h ILE 563 N 0.20 1.25 -0.77 2.23 2.04 -0.91 0.20 117.51 121.75 2j8p h ILE 563 Ca 0.72 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 2j8p h ILE 563 Cb 2.16 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 2j8p h ILE 563 CO -0.33 0.30 0.38 0.25 0.00 0.00 0.00 178.15 178.75 2j8p h LEU 564 N 1.17 0.98 -0.17 1.44 6.46 0.22 1.33 115.31 126.74 2j8p h LEU 564 Ca 0.29 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 2j8p h LEU 564 Cb 0.10 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 39.77 2j8p h LEU 564 CO -0.04 0.82 0.02 0.40 -0.62 0.00 0.00 178.44 179.02 2j8p h ILE 565 N 1.08 1.23 -0.18 4.05 1.08 -0.57 -0.22 117.51 123.99 2j8p h ILE 565 Ca 0.27 -0.76 -0.11 0.00 -0.39 0.00 0.00 64.86 63.86 2j8p h ILE 565 Cb 0.09 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 35.25 2j8p h ILE 565 CO -0.04 0.23 -0.36 0.25 -0.69 0.00 0.00 178.15 177.54 2j8p h LEU 566 N 0.05 0.41 -0.19 1.44 5.85 -0.52 -0.26 115.31 122.10 2j8p h LEU 566 Ca 0.05 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.60 2j8p h LEU 566 Cb 0.33 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2j8p h LEU 566 CO 0.01 0.74 0.11 0.11 -0.34 0.00 0.00 178.44 179.07 2j8p h LYS 567 N 0.33 0.26 -0.29 1.25 1.79 0.20 0.77 116.57 120.88 2j8p h LYS 567 Ca 0.04 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 2j8p h LYS 567 Cb 0.79 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.38 2j8p h LYS 567 CO 0.06 0.23 -0.28 1.05 -1.08 0.00 0.00 179.45 179.43 2j8p h GLU 568 N 0.21 0.59 -0.68 3.15 4.11 -0.85 -2.77 114.58 118.34 2j8p h GLU 568 Ca 0.07 -0.24 -0.04 0.00 0.07 0.00 0.00 59.36 59.22 2j8p h GLU 568 Cb 0.04 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2j8p h GLU 568 CO -0.01 0.80 0.27 0.37 0.07 0.00 0.00 179.01 180.51 2j8p h GLN 569 N 0.51 1.00 -0.83 1.06 5.75 -0.57 -1.89 115.11 120.14 2j8p h GLN 569 Ca 0.07 -0.17 0.03 0.00 -0.15 0.00 0.00 58.65 58.43 2j8p h GLN 569 Cb 0.74 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.08 2j8p h GLN 569 CO 0.06 0.82 0.55 0.82 -2.65 0.00 0.00 178.83 178.43 2j8p h ILE 570 N 0.98 1.16 -0.73 2.39 2.04 -0.57 -1.45 117.51 121.33 2j8p h ILE 570 Ca 0.23 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2j8p h ILE 570 Cb 0.19 0.01 -0.04 0.00 -0.74 0.00 0.00 36.82 36.24 2j8p h ILE 570 CO -0.02 0.19 0.46 1.56 0.00 0.00 0.00 178.15 180.34 2j8p h GLN 571 N 1.06 0.97 -4.44 2.37 1.08 -1.25 -3.48 115.11 111.43 2j8p h GLN 571 Ca 0.32 -0.07 -0.03 0.00 -1.45 0.00 0.00 58.65 57.42 2j8p h GLN 571 Cb -0.01 -0.21 0.03 0.00 -0.05 0.00 0.00 27.48 27.24 2j8p h GLN 571 CO -0.09 0.67 -0.11 1.63 -0.95 0.00 0.00 178.83 179.98 2j8p n LYS 572 N -4.55 -0.92 -3.26 1.46 5.02 -0.55 -5.04 118.16 110.33 2j8p n LYS 572 Ca 0.07 0.98 -0.17 0.00 -2.02 0.00 0.00 58.31 57.16 2j8p n LYS 572 Cb 0.04 -4.08 -0.07 0.00 -0.02 0.00 0.00 35.03 30.90 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2j8p s SER 573 N -2.74 0.73 -0.39 4.39 0.15 -1.26 -5.00 113.70 109.58 2j8p s SER 573 Ca 0.06 -1.97 -0.26 0.00 0.70 0.00 0.00 55.95 54.47 2j8p s SER 573 Cb -0.01 0.57 0.04 0.00 -1.71 0.00 0.00 66.02 64.91 2j8p s SER 573 CO 0.45 -0.20 0.54 0.41 1.20 0.00 0.00 173.24 175.64 2j8p n THR 574 N 3.66 -6.24 -2.02 6.45 -1.04 -1.26 -4.95 114.28 108.88 2j8p n THR 574 Ca 0.17 0.46 -0.29 0.00 -2.04 0.00 0.00 64.05 62.35 2j8p n THR 574 Cb 0.48 -4.76 0.04 0.00 -1.82 0.00 0.00 70.33 64.26 2j8p n THR 574 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2j8p s GLY 575 N -1.75 1.62 -0.49 3.41 0.00 -1.26 -5.05 107.32 103.79 2j8p s GLY 575 Ca 0.28 -0.39 0.03 0.00 0.00 0.00 0.00 44.72 44.64 2j8p s GLY 575 CO 0.75 -0.06 0.33 0.00 0.00 0.00 0.00 173.10 174.11 2j8p s ALA 576 N -3.24 2.34 -2.00 3.20 0.00 -1.26 -5.19 121.76 115.61 2j8p s ALA 576 Ca 0.56 -2.84 0.24 0.00 0.00 0.00 0.00 51.96 49.92 2j8p s ALA 576 Cb -0.11 -1.88 1.43 0.00 0.00 0.00 0.00 23.12 22.57 2j8p s ALA 576 CO 0.50 -2.05 1.80 -0.35 0.00 0.00 0.00 175.76 175.66