#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 3.39 -0.46 -0.41 2.00 -1.26 -4.94 117.12 115.43 2j8p n MET 530 Ca 0.00 -3.37 0.06 0.00 0.00 0.00 0.00 57.70 54.39 2j8p n MET 530 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 33.22 30.14 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 4.15 0.00 0.42 2.03 -2.24 -1.26 -1.79 114.28 115.59 2j8p n THR 531 Ca 0.42 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.34 2j8p n THR 531 Cb 0.39 -0.16 0.44 0.00 -2.10 0.00 0.00 70.33 68.90 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 -0.37 -0.78 0.13 -2.00 -3.08 132.00 125.90 2j8p h PRO 532 Ca 0.01 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.97 2j8p h PRO 532 Cb 0.42 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 2j8p h PRO 532 CO 0.00 0.00 -0.41 0.37 -0.23 0.00 0.00 178.00 177.73 2j8p h GLN 533 N 0.00 0.94 -0.77 0.86 4.15 -1.97 0.13 115.11 118.45 2j8p h GLN 533 Ca 0.00 -0.51 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2j8p h GLN 533 Cb 0.63 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.30 2j8p h GLN 533 CO 0.00 1.17 0.49 0.22 -1.93 0.00 0.00 178.83 178.78 2j8p h ASP 534 N 0.76 0.90 1.51 -0.69 3.58 -1.25 -0.37 116.42 120.86 2j8p h ASP 534 Ca 0.05 -0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.36 2j8p h ASP 534 Cb 1.01 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.82 2j8p h ASP 534 CO 0.10 0.67 -0.49 0.45 -2.88 0.00 0.00 179.24 177.09 2j8p h HIS 535 N 1.06 0.00 0.00 0.28 3.86 -1.59 -3.00 115.15 115.75 2j8p h HIS 535 Ca 0.28 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.49 2j8p h HIS 535 Cb -0.09 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.38 2j8p h HIS 535 CO 0.00 0.49 0.00 0.39 0.86 0.00 0.00 177.93 179.67 2j8p n GLU 536 N -3.22 0.49 0.29 2.45 1.02 0.45 -3.08 120.64 119.03 2j8p n GLU 536 Ca 0.02 0.01 0.16 0.00 -0.02 0.00 0.00 57.16 57.34 2j8p n GLU 536 Cb 0.73 -1.50 0.87 0.00 -0.02 0.00 0.00 31.44 31.52 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 0.00 0.00 -0.10 3.49 1.79 -1.05 -0.55 116.57 120.15 2j8p h LYS 537 Ca 0.00 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.34 2j8p h LYS 537 Cb 0.23 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2j8p h LYS 537 CO 0.00 0.06 -0.51 0.00 -1.08 0.00 0.00 179.45 177.91 2j8p h ALA 538 N 1.94 0.94 -0.87 3.86 0.00 -1.75 -2.76 119.26 120.64 2j8p h ALA 538 Ca -0.00 -0.48 0.15 0.00 0.00 0.00 0.00 54.91 54.58 2j8p h ALA 538 Cb 0.24 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.87 2j8p h ALA 538 CO 0.01 0.67 0.56 0.00 0.00 0.00 0.00 179.25 180.49 2j8p h ALA 539 N 1.25 1.92 -0.07 0.00 0.00 -1.32 2.02 119.26 123.07 2j8p h ALA 539 Ca 0.01 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2j8p h ALA 539 Cb 0.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2j8p h ALA 539 CO 0.08 -0.17 -0.37 1.25 0.00 0.00 0.00 179.25 180.05 2j8p h LEU 540 N 0.61 0.14 0.00 0.00 5.85 -1.56 -2.25 115.31 118.10 2j8p h LEU 540 Ca 0.44 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.11 2j8p h LEU 540 Cb 0.80 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.79 2j8p h LEU 540 CO -0.19 0.51 -0.88 0.40 -0.34 0.00 0.00 178.44 177.93 2j8p h ILE 541 N 0.12 0.00 -0.99 4.05 1.08 0.23 -3.34 117.51 118.66 2j8p h ILE 541 Ca 0.01 -0.96 0.07 0.00 -0.39 0.00 0.00 64.86 63.59 2j8p h ILE 541 Cb 0.71 1.51 -0.07 0.00 -3.07 0.00 0.00 36.82 35.91 2j8p h ILE 541 CO 0.05 0.00 0.64 0.24 -0.69 0.00 0.00 178.15 178.39 2j8p h MET 542 N 0.00 1.10 -0.36 2.37 2.86 0.35 0.26 114.93 121.52 2j8p h MET 542 Ca 0.00 -0.07 -0.13 0.00 -2.06 0.00 0.00 59.70 57.45 2j8p h MET 542 Cb 0.98 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2j8p h MET 542 CO 0.00 0.73 -0.28 1.96 1.06 0.00 0.00 176.91 180.38 2j8p h GLN 543 N 1.13 0.82 -0.34 1.72 4.20 -1.67 -2.87 115.11 118.09 2j8p h GLN 543 Ca 0.44 -0.40 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 2j8p h GLN 543 Cb 0.22 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2j8p h GLN 543 CO -0.18 1.03 -0.02 0.28 -0.67 0.00 0.00 178.83 179.27 2j8p h VAL 544 N 0.60 1.21 0.00 -0.54 2.07 -1.46 -1.57 116.25 116.56 2j8p h VAL 544 Ca 0.07 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2j8p h VAL 544 Cb 0.85 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 2j8p h VAL 544 CO 0.07 0.29 0.00 0.18 0.02 0.00 0.00 177.57 178.13 2j8p n LEU 545 N -4.26 0.00 -0.02 2.57 7.99 0.83 -4.61 117.00 119.51 2j8p n LEU 545 Ca 0.01 0.00 0.06 0.00 -0.01 0.00 0.00 56.01 56.08 2j8p n LEU 545 Cb 0.26 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.44 2j8p n LEU 545 CO 0.39 0.00 -0.74 0.00 -1.51 0.00 0.00 177.39 175.54 2j8p n GLN 546 N 0.00 0.62 -1.00 3.23 0.00 -1.22 -5.00 117.38 114.02 2j8p n GLN 546 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 57.00 56.86 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 -2.15 -0.63 0.00 2.61 -0.00 -0.59 -4.97 117.00 111.27 2j8p n LEU 547 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 2j8p n LEU 547 Cb 0.51 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 2j8p n LEU 547 CO 0.35 0.00 -0.24 0.41 -0.00 0.00 0.00 177.39 177.91 2j8p n THR 548 N -1.89 0.00 0.00 1.96 -1.04 -1.26 -4.95 114.28 107.10 2j8p n THR 548 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2j8p n THR 548 Cb 0.23 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 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 -2.66 0.00 -0.15 2.41 0.00 -1.26 -4.85 120.51 114.01 2j8p n ALA 549 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2j8p n ALA 549 Cb 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 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 -0.51 0.00 3.58 -1.95 0.77 116.42 119.09 2j8p h ASP 550 Ca 0.00 -0.31 -0.01 0.00 0.42 0.00 0.00 57.03 57.13 2j8p h ASP 550 Cb 0.00 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 2j8p h ASP 550 CO 0.00 0.89 0.28 1.56 -2.88 0.00 0.00 179.24 179.09 2j8p h GLN 551 N 0.63 0.71 0.00 0.28 7.50 -1.97 -1.89 115.11 120.37 2j8p h GLN 551 Ca 0.13 -0.08 -0.10 0.00 0.50 0.00 0.00 58.65 59.09 2j8p h GLN 551 Cb 0.50 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.87 2j8p h GLN 551 CO 0.02 0.55 -0.50 0.82 -1.50 0.00 0.00 178.83 178.23 2j8p h ILE 552 N 0.68 1.04 0.00 2.54 1.08 -1.90 -2.77 117.51 118.17 2j8p h ILE 552 Ca 0.18 -1.93 -0.01 0.00 -0.39 0.00 0.00 64.86 62.71 2j8p h ILE 552 Cb 0.05 2.15 -0.00 0.00 -3.07 0.00 0.00 36.82 35.94 2j8p h ILE 552 CO -0.03 0.49 -0.02 0.00 -0.69 0.00 0.00 178.15 177.89 2j8p h ALA 553 N 1.50 1.49 -0.00 1.87 0.00 0.14 0.33 119.26 124.59 2j8p h ALA 553 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2j8p h ALA 553 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2j8p h ALA 553 CO 0.06 0.03 -0.03 0.00 0.00 0.00 0.00 179.25 179.31 2j8p n MET 554 N -3.82 0.45 -3.63 0.00 0.00 -1.00 -4.81 117.12 104.31 2j8p n MET 554 Ca -0.03 -0.05 -0.31 0.00 0.00 0.00 0.00 57.70 57.32 2j8p n MET 554 Cb 0.11 -1.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.79 2j8p n MET 554 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2j8p s LEU 555 N -2.58 4.24 1.02 3.17 1.43 0.12 -5.10 118.68 120.97 2j8p s LEU 555 Ca 0.27 0.59 -0.16 0.00 -1.03 0.00 0.00 54.13 53.81 2j8p s LEU 555 Cb 0.20 -3.33 0.21 0.00 0.03 0.00 0.00 46.19 43.29 2j8p s LEU 555 CO 0.47 0.01 1.19 -2.16 0.23 0.00 0.00 176.35 176.09 2j8p s PRO 556 N -2.85 0.21 0.01 1.29 0.04 -1.26 -4.81 135.00 127.63 2j8p s PRO 556 Ca 0.41 -0.06 -0.20 0.00 0.04 0.00 0.00 61.00 61.20 2j8p s PRO 556 Cb -0.12 -1.76 -0.22 0.00 0.04 0.00 0.00 34.50 32.44 2j8p s PRO 556 CO 0.26 -2.76 1.14 -1.00 0.04 0.00 0.00 177.00 174.67 2j8p h PRO 557 N -1.90 0.42 0.00 0.56 0.13 -1.96 0.26 132.00 129.51 2j8p h PRO 557 Ca -0.47 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.25 2j8p h PRO 557 Cb 1.29 0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2j8p h PRO 557 CO 0.45 1.06 0.00 -1.91 -0.23 0.00 0.00 178.00 177.37 2j8p n GLU 558 N -4.25 0.11 -0.08 0.86 2.13 -1.26 -1.58 120.64 116.57 2j8p n GLU 558 Ca -0.10 0.57 -0.09 0.00 0.66 0.00 0.00 57.16 58.20 2j8p n GLU 558 Cb 0.63 -1.82 -0.10 0.00 0.27 0.00 0.00 31.44 30.42 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 -2.05 1.21 -0.13 5.31 6.02 -1.15 -4.43 117.38 122.15 2j8p n GLN 559 Ca -0.01 0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.90 2j8p n GLN 559 Cb 0.05 -1.36 -0.08 0.00 1.02 0.00 0.00 30.24 29.87 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 -0.37 -0.57 -1.09 2.43 0.54 0.68 114.38 116.01 2j8p h ARG 560 Ca -0.39 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 58.97 2j8p h ARG 560 Cb 1.76 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 31.37 2j8p h ARG 560 CO -0.01 -0.24 0.42 0.37 -1.51 0.00 0.00 179.97 178.99 2j8p h GLN 561 N -0.38 0.00 -0.92 0.20 -0.00 -1.62 0.15 115.11 112.54 2j8p h GLN 561 Ca 0.09 0.00 0.22 0.00 -0.00 0.00 0.00 58.65 58.96 2j8p h GLN 561 Cb 0.60 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 28.01 2j8p h GLN 561 CO -0.59 0.00 0.61 1.03 0.00 0.00 0.00 178.83 179.88 2j8p h SER 562 N 0.00 0.37 -0.79 -0.69 0.87 0.16 0.54 113.55 114.01 2j8p h SER 562 Ca 0.27 0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.84 2j8p h SER 562 Cb 1.11 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 63.01 2j8p h SER 562 CO -0.00 0.14 0.36 0.40 -0.53 0.00 0.00 176.83 177.20 2j8p h ILE 563 N 0.37 1.25 -0.88 2.23 1.08 -0.58 -0.15 117.51 120.84 2j8p h ILE 563 Ca 0.48 -0.74 -0.00 0.00 -0.39 0.00 0.00 64.86 64.20 2j8p h ILE 563 Cb 1.26 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.22 2j8p h ILE 563 CO -0.17 0.31 0.54 0.25 -0.69 0.00 0.00 178.15 178.39 2j8p h LEU 564 N 1.15 1.04 -0.19 1.44 6.46 -0.04 1.21 115.31 126.37 2j8p h LEU 564 Ca 0.27 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.94 2j8p h LEU 564 Cb 0.15 -0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2j8p h LEU 564 CO -0.03 0.79 -0.02 0.40 -0.62 0.00 0.00 178.44 178.95 2j8p h ILE 565 N 1.21 1.27 -0.25 4.05 2.04 -0.81 -1.81 117.51 123.21 2j8p h ILE 565 Ca 0.32 -0.95 -0.09 0.00 1.00 0.00 0.00 64.86 65.14 2j8p h ILE 565 Cb -0.07 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 2j8p h ILE 565 CO -0.06 0.29 -0.22 0.25 0.00 0.00 0.00 178.15 178.40 2j8p h LEU 566 N 0.08 0.45 -1.27 1.44 5.85 -0.46 -2.25 115.31 119.15 2j8p h LEU 566 Ca 0.05 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2j8p h LEU 566 Cb 0.44 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 2j8p h LEU 566 CO 0.01 0.68 0.39 0.11 -0.34 0.00 0.00 178.44 179.30 2j8p h LYS 567 N 0.41 0.89 -0.74 1.25 1.79 0.17 -0.29 116.57 120.04 2j8p h LYS 567 Ca 0.06 -0.08 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 2j8p h LYS 567 Cb 0.62 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 2j8p h LYS 567 CO 0.04 0.62 0.29 0.93 -1.08 0.00 0.00 179.45 180.26 2j8p h GLU 568 N 0.90 1.12 -0.44 3.15 4.39 -0.72 -2.06 114.58 120.92 2j8p h GLU 568 Ca 0.24 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 2j8p h GLU 568 Cb -0.03 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 2j8p h GLU 568 CO -0.04 0.92 -0.20 1.96 -1.16 0.00 0.00 179.01 180.48 2j8p h GLN 569 N 1.08 0.89 -0.53 2.33 4.20 -1.12 -2.59 115.11 119.36 2j8p h GLN 569 Ca 0.25 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.62 2j8p h GLN 569 Cb 0.22 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 2j8p h GLN 569 CO -0.02 1.00 0.35 0.82 -0.67 0.00 0.00 178.83 180.31 2j8p h ILE 570 N 0.77 1.09 -0.18 2.54 2.04 -0.67 0.24 117.51 123.34 2j8p h ILE 570 Ca 0.11 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2j8p h ILE 570 Cb 0.74 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2j8p h ILE 570 CO 0.06 0.12 0.09 1.56 0.00 0.00 0.00 178.15 179.98 2j8p h GLN 571 N 0.64 0.25 -3.20 2.37 1.08 -0.97 -3.48 115.11 111.80 2j8p h GLN 571 Ca 0.20 -0.02 0.37 0.00 -1.45 0.00 0.00 58.65 57.76 2j8p h GLN 571 Cb 0.03 -0.05 -0.12 0.00 -0.05 0.00 0.00 27.48 27.29 2j8p h GLN 571 CO -0.05 0.19 -0.68 1.63 -0.95 0.00 0.00 178.83 178.97 2j8p n LYS 572 N -4.48 -2.93 -1.44 1.46 4.76 0.07 -4.72 118.16 110.88 2j8p n LYS 572 Ca -0.00 2.06 -0.49 0.00 -2.87 0.00 0.00 58.31 57.00 2j8p n LYS 572 Cb 0.10 -3.54 -0.04 0.00 -1.84 0.00 0.00 35.03 29.72 2j8p n LYS 572 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2j8p n SER 573 N -4.20 -0.70 -3.76 4.39 2.88 -1.26 -4.97 113.62 105.99 2j8p n SER 573 Ca -0.01 1.14 -0.13 0.00 -1.33 0.00 0.00 58.87 58.54 2j8p n SER 573 Cb 0.65 -1.00 -0.13 0.00 -0.75 0.00 0.00 64.21 62.98 2j8p n SER 573 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2j8p s THR 574 N -0.85 -0.02 -0.85 2.46 -1.32 -1.26 -5.10 115.64 108.70 2j8p s THR 574 Ca 0.67 0.09 -0.25 0.00 -1.21 0.00 0.00 61.69 60.99 2j8p s THR 574 Cb -0.94 -0.32 0.03 0.00 -1.51 0.00 0.00 72.50 69.76 2j8p s THR 574 CO 0.56 0.04 1.42 -0.83 -2.21 0.00 0.00 174.62 173.60 2j8p s GLY 575 N 0.75 0.96 0.08 6.08 0.00 -1.26 -4.95 107.32 108.97 2j8p s GLY 575 Ca -0.05 -1.69 0.02 0.00 0.00 0.00 0.00 44.72 43.00 2j8p s GLY 575 CO -0.04 2.76 -0.08 0.00 0.00 0.00 0.00 173.10 175.74 2j8p s ALA 576 N 5.86 0.91 -2.00 3.20 0.00 -1.26 -5.33 121.76 123.14 2j8p s ALA 576 Ca 0.43 -1.16 0.24 0.00 0.00 0.00 0.00 51.96 51.47 2j8p s ALA 576 Cb -0.05 0.10 1.43 0.00 0.00 0.00 0.00 23.12 24.60 2j8p s ALA 576 CO 0.04 -0.13 1.80 -0.35 0.00 0.00 0.00 175.76 177.12