#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 -0.88 -1.40 2.00 -1.26 -4.82 117.12 110.75 2j8p n MET 530 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 57.70 57.34 2j8p n MET 530 Cb 0.00 -1.33 0.08 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 3.05 0.00 0.27 2.03 -2.24 -1.26 -4.78 114.28 111.36 2j8p n THR 531 Ca 0.25 -0.13 0.15 0.00 -2.27 0.00 0.00 64.05 62.05 2j8p n THR 531 Cb -0.03 -0.22 0.44 0.00 -2.10 0.00 0.00 70.33 68.42 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 -1.38 0.00 -0.38 -0.78 0.13 -2.00 -3.08 132.00 124.52 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 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 2j8p h PRO 532 CO 0.27 0.00 -0.38 0.37 -0.23 0.00 0.00 178.00 178.03 2j8p h GLN 533 N 0.00 0.90 -0.40 0.86 4.15 -1.95 0.21 115.11 118.88 2j8p h GLN 533 Ca 0.00 -0.47 -0.07 0.00 0.77 0.00 0.00 58.65 58.88 2j8p h GLN 533 Cb 0.74 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 2j8p h GLN 533 CO 0.00 1.12 -0.06 0.22 -1.93 0.00 0.00 178.83 178.18 2j8p h ASP 534 N 0.74 0.64 0.89 -0.69 3.58 -1.86 -1.29 116.42 118.43 2j8p h ASP 534 Ca 0.06 -0.16 -0.18 0.00 0.42 0.00 0.00 57.03 57.17 2j8p h ASP 534 Cb 0.97 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.82 2j8p h ASP 534 CO 0.09 0.75 -0.84 0.45 -2.88 0.00 0.00 179.24 176.82 2j8p h HIS 535 N 0.62 0.00 -0.07 0.28 3.86 -1.50 -2.89 115.15 115.45 2j8p h HIS 535 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2j8p h HIS 535 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 2j8p h HIS 535 CO 0.02 0.84 0.00 -0.85 0.86 0.00 0.00 177.93 178.80 2j8p n GLU 536 N -3.50 1.27 0.28 2.45 -0.00 0.72 -3.54 120.64 118.33 2j8p n GLU 536 Ca -0.00 -0.41 0.16 0.00 -0.00 0.00 0.00 57.16 56.90 2j8p n GLU 536 Cb 0.81 -1.30 0.84 0.00 -0.00 0.00 0.00 31.44 31.80 2j8p n GLU 536 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2j8p h LYS 537 N 0.81 0.00 -0.18 3.44 1.79 -1.03 -0.79 116.57 120.62 2j8p h LYS 537 Ca 0.00 0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2j8p h LYS 537 Cb 0.18 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.82 2j8p h LYS 537 CO 0.00 0.07 -0.34 0.00 -1.08 0.00 0.00 179.45 178.10 2j8p h ALA 538 N 1.93 1.10 -0.87 3.86 0.00 -1.77 -2.48 119.26 121.03 2j8p h ALA 538 Ca -0.00 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2j8p h ALA 538 Cb 0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 2j8p h ALA 538 CO 0.01 0.57 0.57 0.00 0.00 0.00 0.00 179.25 180.40 2j8p h ALA 539 N 1.33 1.51 -0.17 0.00 0.00 -1.41 2.09 119.26 122.62 2j8p h ALA 539 Ca 0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2j8p h ALA 539 Cb 0.75 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2j8p h ALA 539 CO 0.06 0.37 -0.34 1.25 0.00 0.00 0.00 179.25 180.59 2j8p h LEU 540 N 1.01 0.36 -0.91 0.00 5.85 -1.49 -1.91 115.31 118.21 2j8p h LEU 540 Ca 0.36 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.95 2j8p h LEU 540 Cb 0.14 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2j8p h LEU 540 CO -0.12 0.68 -0.17 -0.38 -0.34 0.00 0.00 178.44 178.11 2j8p n ILE 541 N -4.07 0.00 -0.10 4.05 5.41 0.20 -4.02 119.36 120.83 2j8p n ILE 541 Ca -0.01 -0.24 -0.05 0.00 1.00 0.00 0.00 62.75 63.45 2j8p n ILE 541 Cb 0.45 0.71 0.14 0.00 -0.71 0.00 0.00 39.64 40.22 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 2.23 0.78 -0.73 0.38 4.05 0.41 -2.38 114.93 119.68 2j8p h MET 542 Ca 0.00 -0.25 -0.06 0.00 -0.28 0.00 0.00 59.70 59.12 2j8p h MET 542 Cb 0.61 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.30 2j8p h MET 542 CO 0.00 0.84 0.24 -0.56 0.23 0.00 0.00 176.91 177.66 2j8p h GLN 543 N 0.72 1.13 -0.15 0.39 3.07 -1.70 0.11 115.11 118.68 2j8p h GLN 543 Ca 0.13 -0.24 -0.05 0.00 0.09 0.00 0.00 58.65 58.58 2j8p h GLN 543 Cb 0.55 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 27.93 2j8p h GLN 543 CO 0.03 0.96 -0.12 0.28 0.09 0.00 0.00 178.83 180.07 2j8p h VAL 544 N 1.08 1.17 0.00 1.86 2.07 -1.72 -3.27 116.25 117.44 2j8p h VAL 544 Ca 0.24 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2j8p h VAL 544 Cb 0.29 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2j8p h VAL 544 CO -0.01 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.00 2j8p n LEU 545 N -4.28 0.00 -0.04 2.57 4.77 -0.74 -4.85 117.00 114.43 2j8p n LEU 545 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2j8p n LEU 545 Cb 0.26 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 2j8p n LEU 545 CO 0.38 0.00 -0.83 0.00 -1.33 0.00 0.00 177.39 175.61 2j8p n GLN 546 N 0.00 1.10 -2.54 3.23 3.00 -1.02 -5.04 117.38 116.12 2j8p n GLN 546 Ca 0.00 -0.07 -0.07 0.00 -0.01 0.00 0.00 57.00 56.85 2j8p n GLN 546 Cb 0.00 -1.36 0.03 0.00 0.00 0.00 0.00 30.24 28.91 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 -2.29 -4.34 0.00 1.08 7.94 0.32 -4.96 117.00 114.75 2j8p n LEU 547 Ca -0.13 -0.36 0.00 0.00 -1.11 0.00 0.00 56.01 54.41 2j8p n LEU 547 Cb 0.69 -2.19 0.00 0.00 0.53 0.00 0.00 43.42 42.45 2j8p n LEU 547 CO 0.31 -0.07 -0.08 0.41 -1.11 0.00 0.00 177.39 176.85 2j8p n THR 548 N -2.35 0.00 0.00 1.96 -1.04 -1.26 -4.96 114.28 106.63 2j8p n THR 548 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2j8p n THR 548 Cb 0.56 -0.59 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 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 -2.48 0.00 -0.08 2.41 0.00 -1.26 -4.82 120.51 114.28 2j8p n ALA 549 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 2j8p n ALA 549 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 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 0.40 -0.40 0.00 3.58 -1.97 1.55 116.42 119.58 2j8p h ASP 550 Ca 0.00 -0.29 -0.14 0.00 0.42 0.00 0.00 57.03 57.02 2j8p h ASP 550 Cb 0.00 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2j8p h ASP 550 CO 0.00 0.59 -0.28 1.56 -2.88 0.00 0.00 179.24 178.23 2j8p h GLN 551 N 0.20 0.92 0.00 0.28 7.50 -1.99 -2.36 115.11 119.66 2j8p h GLN 551 Ca 0.07 -0.42 -0.13 0.00 0.50 0.00 0.00 58.65 58.67 2j8p h GLN 551 Cb 0.37 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.87 2j8p h GLN 551 CO 0.01 1.08 -0.60 0.82 -1.50 0.00 0.00 178.83 178.63 2j8p h ILE 552 N 0.78 1.25 -0.63 2.54 1.08 -1.91 -2.93 117.51 117.69 2j8p h ILE 552 Ca 0.09 -2.21 -0.06 0.00 -0.39 0.00 0.00 64.86 62.29 2j8p h ILE 552 Cb 0.85 2.25 -0.03 0.00 -3.07 0.00 0.00 36.82 36.83 2j8p h ILE 552 CO 0.08 0.59 0.15 0.00 -0.69 0.00 0.00 178.15 178.28 2j8p h ALA 553 N 1.40 1.07 -0.00 1.87 0.00 0.25 -1.04 119.26 122.81 2j8p h ALA 553 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2j8p h ALA 553 Cb 1.21 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2j8p h ALA 553 CO 0.08 0.61 -0.02 0.00 0.00 0.00 0.00 179.25 179.93 2j8p n MET 554 N -4.25 0.73 -3.19 0.00 0.00 -0.92 -4.82 117.12 104.68 2j8p n MET 554 Ca 0.05 -0.07 -0.34 0.00 0.00 0.00 0.00 57.70 57.34 2j8p n MET 554 Cb 0.25 -1.50 -0.06 0.00 0.00 0.00 0.00 33.22 31.91 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 -2.32 4.18 0.99 3.17 1.43 -0.39 -5.08 118.68 120.66 2j8p s LEU 555 Ca 0.36 1.24 -0.15 0.00 -1.03 0.00 0.00 54.13 54.56 2j8p s LEU 555 Cb 0.21 -3.81 0.18 0.00 0.03 0.00 0.00 46.19 42.81 2j8p s LEU 555 CO 0.42 -0.09 1.17 -2.16 0.23 0.00 0.00 176.35 175.93 2j8p s PRO 556 N -2.59 0.51 0.08 1.29 0.04 -1.26 -4.80 135.00 128.27 2j8p s PRO 556 Ca 0.48 0.05 -0.14 0.00 0.04 0.00 0.00 61.00 61.43 2j8p s PRO 556 Cb -0.13 -1.79 -0.21 0.00 0.04 0.00 0.00 34.50 32.42 2j8p s PRO 556 CO 0.19 -2.58 1.22 -1.00 0.04 0.00 0.00 177.00 174.87 2j8p h PRO 557 N -1.77 0.71 0.00 0.56 0.13 -1.98 0.29 132.00 129.95 2j8p h PRO 557 Ca -0.48 -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 0.50 1.29 0.00 -1.91 -0.23 0.00 0.00 178.00 177.65 2j8p n GLU 558 N -3.92 0.06 -0.06 0.86 4.07 -1.26 -2.46 120.64 117.93 2j8p n GLU 558 Ca -0.10 0.28 -0.08 0.00 -0.06 0.00 0.00 57.16 57.20 2j8p n GLU 558 Cb 0.82 -1.50 -0.06 0.00 -0.06 0.00 0.00 31.44 30.64 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 -1.41 0.59 0.05 5.31 6.02 -1.12 -4.33 117.38 122.49 2j8p n GLN 559 Ca 0.03 0.06 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 2j8p n GLN 559 Cb 0.10 -1.25 -0.07 0.00 1.02 0.00 0.00 30.24 30.04 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 -0.48 -0.24 -1.09 2.43 -0.09 0.92 114.38 115.83 2j8p h ARG 560 Ca -0.28 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 58.99 2j8p h ARG 560 Cb 1.46 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.11 2j8p h ARG 560 CO -0.04 -0.32 0.22 0.37 -1.51 0.00 0.00 179.97 178.70 2j8p h GLN 561 N -0.50 0.00 -1.15 0.20 4.15 -1.56 -0.98 115.11 115.27 2j8p h GLN 561 Ca 0.00 0.00 0.33 0.00 0.77 0.00 0.00 58.65 59.76 2j8p h GLN 561 Cb 0.52 0.00 -0.11 0.00 0.21 0.00 0.00 27.48 28.11 2j8p h GLN 561 CO -0.23 0.00 0.75 1.03 -1.93 0.00 0.00 178.83 178.44 2j8p h SER 562 N 0.00 0.35 -0.81 -0.69 0.87 -1.00 1.48 113.55 113.74 2j8p h SER 562 Ca 0.11 0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.75 2j8p h SER 562 Cb 0.56 0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 2j8p h SER 562 CO -0.00 -0.02 0.40 0.40 -0.53 0.00 0.00 176.83 177.07 2j8p h ILE 563 N 0.26 1.25 -0.70 2.23 2.04 -1.15 0.13 117.51 121.57 2j8p h ILE 563 Ca 0.68 -0.69 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 2j8p h ILE 563 Cb 1.95 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 38.20 2j8p h ILE 563 CO -0.33 0.30 0.18 0.25 0.00 0.00 0.00 178.15 178.55 2j8p h LEU 564 N 1.16 1.04 -0.14 1.44 6.46 0.19 1.08 115.31 126.54 2j8p h LEU 564 Ca 0.28 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 2j8p h LEU 564 Cb 0.10 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 2j8p h LEU 564 CO -0.04 0.99 0.02 0.40 -0.62 0.00 0.00 178.44 179.19 2j8p h ILE 565 N 1.05 1.23 -0.21 4.05 1.08 -0.47 -1.27 117.51 122.96 2j8p h ILE 565 Ca 0.22 -0.73 -0.10 0.00 -0.39 0.00 0.00 64.86 63.86 2j8p h ILE 565 Cb 0.35 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 2j8p h ILE 565 CO -0.00 0.22 -0.30 0.25 -0.69 0.00 0.00 178.15 177.63 2j8p h LEU 566 N -0.01 0.41 -1.22 1.44 6.46 -0.51 -2.43 115.31 119.46 2j8p h LEU 566 Ca 0.04 -0.15 -0.01 0.00 -0.12 0.00 0.00 57.88 57.65 2j8p h LEU 566 Cb 0.32 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 2j8p h LEU 566 CO 0.00 0.70 0.41 0.11 -0.62 0.00 0.00 178.44 179.05 2j8p h LYS 567 N 0.36 0.95 -0.57 1.25 1.79 0.15 -1.19 116.57 119.30 2j8p h LYS 567 Ca 0.05 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 2j8p h LYS 567 Cb 0.71 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 31.13 2j8p h LYS 567 CO 0.05 0.67 0.25 0.93 -1.08 0.00 0.00 179.45 180.27 2j8p h GLU 568 N 0.96 0.82 -0.75 3.15 4.39 -0.73 -1.96 114.58 120.46 2j8p h GLU 568 Ca 0.25 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 2j8p h GLU 568 Cb -0.03 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.44 2j8p h GLU 568 CO -0.05 0.66 0.30 1.96 -1.16 0.00 0.00 179.01 180.72 2j8p h GLN 569 N 0.81 1.10 -0.85 2.33 4.20 -1.12 -1.06 115.11 120.53 2j8p h GLN 569 Ca 0.20 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2j8p h GLN 569 Cb 0.13 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.68 2j8p h GLN 569 CO -0.02 0.89 0.45 0.82 -0.67 0.00 0.00 178.83 180.30 2j8p h ILE 570 N 1.08 1.25 -0.59 2.54 2.04 -1.00 -2.32 117.51 120.50 2j8p h ILE 570 Ca 0.25 -0.64 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2j8p h ILE 570 Cb 0.19 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 2j8p h ILE 570 CO -0.02 0.29 0.12 1.56 0.00 0.00 0.00 178.15 180.10 2j8p h GLN 571 N 1.19 0.97 -3.55 2.37 7.50 -0.95 -3.25 115.11 119.38 2j8p h GLN 571 Ca 0.30 -0.24 -0.75 0.00 0.50 0.00 0.00 58.65 58.45 2j8p h GLN 571 Cb 0.05 -0.12 -0.14 0.00 0.05 0.00 0.00 27.48 27.32 2j8p h GLN 571 CO -0.05 0.90 2.18 1.63 -1.50 0.00 0.00 178.83 181.99 2j8p n LYS 572 N -4.34 3.53 -3.88 1.46 5.02 -0.46 -4.88 118.16 114.62 2j8p n LYS 572 Ca 0.03 -3.40 -0.29 0.00 -2.02 0.00 0.00 58.31 52.63 2j8p n LYS 572 Cb 0.26 -2.97 -0.16 0.00 -0.02 0.00 0.00 35.03 32.13 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 1.15 3.35 0.09 4.39 0.15 -1.23 -4.88 113.70 116.71 2j8p s SER 573 Ca 0.40 -0.95 -0.32 0.00 0.70 0.00 0.00 55.95 55.79 2j8p s SER 573 Cb 0.10 -0.97 -0.14 0.00 -1.71 0.00 0.00 66.02 63.30 2j8p s SER 573 CO -0.01 -0.24 1.61 0.74 1.20 0.00 0.00 173.24 176.54 2j8p h THR 574 N 6.55 0.26 -0.02 6.45 2.02 -1.93 -3.43 112.91 122.81 2j8p h THR 574 Ca -0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2j8p h THR 574 Cb 1.09 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2j8p h THR 574 CO 0.39 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.89 2j8p n GLY 575 N -1.48 -2.07 3.37 2.16 0.00 -1.26 -4.96 105.19 100.95 2j8p n GLY 575 Ca -0.11 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.53 3.15 -2.00 4.61 0.00 -1.26 -5.17 121.76 118.55 2j8p s ALA 576 Ca 0.00 -1.47 0.24 0.00 0.00 0.00 0.00 51.96 50.73 2j8p s ALA 576 Cb 0.00 -2.27 1.43 0.00 0.00 0.00 0.00 23.12 22.28 2j8p s ALA 576 CO 0.00 -0.98 1.80 -0.35 0.00 0.00 0.00 175.76 176.22