#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 -0.96 -0.41 2.00 -1.26 -4.80 117.12 111.70 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 0.05 0.00 0.00 0.00 0.00 33.22 31.95 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 5.84 0.00 0.42 2.03 -2.24 -1.26 -4.78 114.28 114.29 2j8p n THR 531 Ca 0.50 -0.28 0.13 0.00 -2.27 0.00 0.00 64.05 62.13 2j8p n THR 531 Cb -0.03 -0.10 0.44 0.00 -2.10 0.00 0.00 70.33 68.55 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 -1.13 0.00 -0.31 -0.78 0.13 -2.00 -3.07 132.00 124.85 2j8p h PRO 532 Ca -0.43 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.53 2j8p h PRO 532 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 2j8p h PRO 532 CO 0.24 0.00 -0.49 0.37 -0.23 0.00 0.00 178.00 177.89 2j8p h GLN 533 N 0.00 0.87 -0.30 0.86 -0.00 -1.95 0.21 115.11 114.80 2j8p h GLN 533 Ca 0.00 -0.52 -0.02 0.00 -0.00 0.00 0.00 58.65 58.11 2j8p h GLN 533 Cb 0.62 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 28.14 2j8p h GLN 533 CO 0.00 1.15 0.10 0.22 0.00 0.00 0.00 178.83 180.31 2j8p h ASP 534 N 0.68 0.42 0.80 -0.69 3.58 -1.86 -1.71 116.42 117.65 2j8p h ASP 534 Ca 0.03 -0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.22 2j8p h ASP 534 Cb 1.09 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 2j8p h ASP 534 CO 0.11 0.50 -0.33 0.45 -2.88 0.00 0.00 179.24 177.09 2j8p h HIS 535 N 0.32 0.00 -0.02 0.28 3.86 -1.56 -1.97 115.15 116.06 2j8p h HIS 535 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 2j8p h HIS 535 Cb 0.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.69 2j8p h HIS 535 CO 0.00 0.33 0.00 0.39 0.86 0.00 0.00 177.93 179.51 2j8p n GLU 536 N -3.54 1.13 0.29 2.45 1.02 0.73 -3.45 120.64 119.26 2j8p n GLU 536 Ca -0.00 -0.19 0.17 0.00 -0.02 0.00 0.00 57.16 57.11 2j8p n GLU 536 Cb 0.47 -1.37 0.89 0.00 -0.02 0.00 0.00 31.44 31.42 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 0.41 0.00 -0.03 3.49 1.57 -0.52 -0.19 116.57 121.30 2j8p h LYS 537 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2j8p h LYS 537 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2j8p h LYS 537 CO 0.00 0.05 -0.32 0.00 -0.57 0.00 0.00 179.45 178.61 2j8p h ALA 538 N 1.95 1.43 -0.69 3.86 0.00 -1.79 -2.04 119.26 121.98 2j8p h ALA 538 Ca -0.00 -0.30 0.15 0.00 0.00 0.00 0.00 54.91 54.76 2j8p h ALA 538 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2j8p h ALA 538 CO 0.01 0.42 0.47 0.00 0.00 0.00 0.00 179.25 180.15 2j8p h ALA 539 N 1.64 2.24 -0.07 0.00 0.00 -1.30 2.31 119.26 124.09 2j8p h ALA 539 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2j8p h ALA 539 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2j8p h ALA 539 CO 0.04 -0.43 -0.34 1.25 0.00 0.00 0.00 179.25 179.77 2j8p h LEU 540 N 0.29 0.13 -2.29 0.00 5.85 -1.49 -2.18 115.31 115.62 2j8p h LEU 540 Ca 0.34 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.01 2j8p h LEU 540 Cb 0.91 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2j8p h LEU 540 CO -0.08 0.47 0.00 -0.38 -0.34 0.00 0.00 178.44 178.11 2j8p n ILE 541 N -4.10 0.54 0.10 4.05 5.41 0.23 -4.40 119.36 121.18 2j8p n ILE 541 Ca -0.01 -0.77 0.00 0.00 1.00 0.00 0.00 62.75 62.97 2j8p n ILE 541 Cb 0.41 0.89 0.30 0.00 -0.71 0.00 0.00 39.64 40.53 2j8p n ILE 541 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 2j8p h MET 542 N 3.22 0.26 -0.89 0.38 2.86 0.42 -1.90 114.93 119.28 2j8p h MET 542 Ca 0.00 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 2j8p h MET 542 Cb 0.79 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.38 2j8p h MET 542 CO 0.00 0.51 0.49 1.96 1.06 0.00 0.00 176.91 180.93 2j8p h GLN 543 N 0.24 1.24 -0.22 1.72 7.50 -1.77 2.00 115.11 125.82 2j8p h GLN 543 Ca 0.04 -0.14 -0.13 0.00 0.50 0.00 0.00 58.65 58.92 2j8p h GLN 543 Cb 0.58 -0.24 -0.00 0.00 0.05 0.00 0.00 27.48 27.87 2j8p h GLN 543 CO 0.04 0.90 -0.37 0.28 -1.50 0.00 0.00 178.83 178.18 2j8p h VAL 544 N 1.24 1.32 -0.50 -0.54 2.07 -1.78 -2.86 116.25 115.21 2j8p h VAL 544 Ca 0.31 -1.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.18 2j8p h VAL 544 Cb 0.02 1.80 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 2j8p h VAL 544 CO -0.05 0.50 0.08 0.18 0.02 0.00 0.00 177.57 178.30 2j8p n LEU 545 N -4.25 4.86 0.00 2.57 4.32 -0.74 -3.98 117.00 119.77 2j8p n LEU 545 Ca -0.05 -2.49 0.13 0.00 -0.02 0.00 0.00 56.01 53.58 2j8p n LEU 545 Cb 0.52 -0.66 0.35 0.00 -1.62 0.00 0.00 43.42 42.00 2j8p n LEU 545 CO 0.45 0.60 0.59 0.00 -1.22 0.00 0.00 177.39 177.81 2j8p n GLN 546 N 0.28 0.01 -0.70 3.23 6.02 0.67 -3.37 117.38 123.52 2j8p n GLN 546 Ca 0.25 0.00 0.53 0.00 -0.01 0.00 0.00 57.00 57.78 2j8p n GLN 546 Cb 1.05 -1.51 0.81 0.00 1.02 0.00 0.00 30.24 31.62 2j8p n GLN 546 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2j8p n LEU 547 N -1.52 0.00 0.04 1.08 -0.00 -1.26 -3.15 117.00 112.20 2j8p n LEU 547 Ca 0.06 0.99 0.00 0.00 -0.00 0.00 0.00 56.01 57.06 2j8p n LEU 547 Cb 0.34 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 2j8p n LEU 547 CO 0.33 -0.99 -0.17 0.41 -0.00 0.00 0.00 177.39 176.97 2j8p n THR 548 N -3.90 0.25 0.00 1.96 -1.04 -1.26 -5.02 114.28 105.27 2j8p n THR 548 Ca 0.44 0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.53 2j8p n THR 548 Cb 2.02 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 69.47 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 -3.04 0.00 -0.26 2.41 0.00 -1.19 -4.76 120.51 113.68 2j8p n ALA 549 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2j8p n ALA 549 Cb 0.17 0.00 0.22 0.00 0.00 0.00 0.00 19.45 19.84 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 0.92 -0.43 0.00 1.82 -1.90 1.49 116.42 118.32 2j8p h ASP 550 Ca 0.00 -0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 2j8p h ASP 550 Cb 0.00 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 2j8p h ASP 550 CO 0.00 0.65 0.23 0.06 -1.61 0.00 0.00 179.24 178.57 2j8p h GLN 551 N 1.08 0.60 -0.05 0.28 3.07 -1.89 0.52 115.11 118.71 2j8p h GLN 551 Ca 0.31 -0.07 -0.22 0.00 0.09 0.00 0.00 58.65 58.76 2j8p h GLN 551 Cb -0.07 -0.12 0.02 0.00 0.08 0.00 0.00 27.48 27.39 2j8p h GLN 551 CO -0.08 0.49 -0.82 0.82 0.09 0.00 0.00 178.83 179.33 2j8p h ILE 552 N 0.56 1.32 0.00 1.86 1.08 -1.62 -2.92 117.51 117.78 2j8p h ILE 552 Ca 0.15 -2.09 -0.01 0.00 -0.39 0.00 0.00 64.86 62.52 2j8p h ILE 552 Cb 0.07 2.29 -0.00 0.00 -3.07 0.00 0.00 36.82 36.11 2j8p h ILE 552 CO -0.02 0.64 -0.05 0.00 -0.69 0.00 0.00 178.15 178.03 2j8p h ALA 553 N 0.43 1.18 -0.01 1.87 0.00 0.23 0.11 119.26 123.07 2j8p h ALA 553 Ca -0.09 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2j8p h ALA 553 Cb 1.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2j8p h ALA 553 CO 0.16 0.07 -0.20 -1.33 0.00 0.00 0.00 179.25 177.95 2j8p n MET 554 N -3.41 0.73 -2.96 0.00 2.81 0.18 -4.86 117.12 109.62 2j8p n MET 554 Ca -0.02 -0.36 -0.39 0.00 -1.81 0.00 0.00 57.70 55.12 2j8p n MET 554 Cb 0.19 -1.49 -0.06 0.00 -0.71 0.00 0.00 33.22 31.14 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 -2.51 4.57 1.02 4.03 1.43 0.37 -5.05 118.68 122.53 2j8p s LEU 555 Ca 0.26 1.66 -0.16 0.00 -1.03 0.00 0.00 54.13 54.86 2j8p s LEU 555 Cb 0.19 -3.38 0.21 0.00 0.03 0.00 0.00 46.19 43.24 2j8p s LEU 555 CO 0.51 0.18 1.19 -2.16 0.23 0.00 0.00 176.35 176.30 2j8p s PRO 556 N -1.26 0.20 -0.00 1.29 0.04 -1.26 -4.81 135.00 129.21 2j8p s PRO 556 Ca 0.37 -0.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.05 2j8p s PRO 556 Cb -0.23 -1.76 -0.04 0.00 0.04 0.00 0.00 34.50 32.51 2j8p s PRO 556 CO 0.26 -2.76 1.19 -1.25 0.04 0.00 0.00 177.00 174.48 2j8p s PRO 557 N -5.53 4.40 0.00 0.56 0.04 -1.26 -2.54 135.00 130.66 2j8p s PRO 557 Ca 0.70 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.44 2j8p s PRO 557 Cb -0.09 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2j8p s PRO 557 CO 0.54 -0.35 0.00 -1.91 0.04 0.00 0.00 177.00 175.32 2j8p n GLU 558 N 4.59 0.00 -0.03 4.56 2.13 -1.26 -4.82 120.64 125.81 2j8p n GLU 558 Ca 0.10 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.83 2j8p n GLU 558 Cb 0.46 -0.38 -0.14 0.00 0.27 0.00 0.00 31.44 31.65 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 -2.00 0.65 0.03 5.31 1.13 -1.05 -4.33 117.38 117.11 2j8p n GLN 559 Ca 0.00 0.24 -0.14 0.00 -1.94 0.00 0.00 57.00 55.16 2j8p n GLN 559 Cb 0.00 -1.74 -0.08 0.00 0.11 0.00 0.00 30.24 28.53 2j8p n GLN 559 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2j8p h ARG 560 N 0.00 -0.56 -1.43 -1.09 3.08 -1.80 0.14 114.38 112.72 2j8p h ARG 560 Ca -0.34 0.04 0.48 0.00 0.07 0.00 0.00 59.98 60.23 2j8p h ARG 560 Cb 2.05 0.13 -0.13 0.00 0.08 0.00 0.00 29.97 32.10 2j8p h ARG 560 CO 0.07 -0.38 0.94 0.94 -1.07 0.00 0.00 179.97 180.47 2j8p n GLN 561 N -5.45 -0.03 -0.44 0.04 7.27 -1.23 0.17 117.38 117.71 2j8p n GLN 561 Ca -0.06 1.20 0.36 0.00 0.07 0.00 0.00 57.00 58.58 2j8p n GLN 561 Cb 0.38 -2.42 0.66 0.00 2.41 0.00 0.00 30.24 31.27 2j8p n GLN 561 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2j8p h SER 562 N 0.00 0.21 -0.73 1.69 0.87 -0.93 1.86 113.55 116.52 2j8p h SER 562 Ca 0.87 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 61.50 2j8p h SER 562 Cb 2.91 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 64.91 2j8p h SER 562 CO -0.39 -0.09 0.37 -0.29 -0.53 0.00 0.00 176.83 175.89 2j8p h ILE 563 N 0.12 1.23 -0.96 2.23 6.09 0.16 -0.17 117.51 126.21 2j8p h ILE 563 Ca 0.76 -0.64 0.04 0.00 -1.37 0.00 0.00 64.86 63.66 2j8p h ILE 563 Cb 2.51 0.31 -0.06 0.00 0.47 0.00 0.00 36.82 40.05 2j8p h ILE 563 CO -0.29 0.27 0.63 0.25 -3.07 0.00 0.00 178.15 175.94 2j8p h LEU 564 N 1.02 1.03 -0.26 2.19 6.46 0.28 1.43 115.31 127.45 2j8p h LEU 564 Ca 0.25 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.96 2j8p h LEU 564 Cb 0.09 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.78 2j8p h LEU 564 CO -0.03 0.70 -0.02 0.40 -0.62 0.00 0.00 178.44 178.86 2j8p h ILE 565 N 1.19 1.27 -0.35 4.05 2.04 -0.89 1.55 117.51 126.36 2j8p h ILE 565 Ca 0.39 -0.98 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2j8p h ILE 565 Cb 0.04 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 2j8p h ILE 565 CO -0.12 0.31 0.00 0.25 0.00 0.00 0.00 178.15 178.59 2j8p h LEU 566 N 0.24 0.60 -0.66 1.44 5.85 -0.13 -0.15 115.31 122.50 2j8p h LEU 566 Ca 0.07 -0.31 -0.13 0.00 0.84 0.00 0.00 57.88 58.36 2j8p h LEU 566 Cb 0.46 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2j8p h LEU 566 CO 0.02 0.76 -0.35 0.50 -0.34 0.00 0.00 178.44 179.03 2j8p h LYS 567 N 0.43 0.66 -0.80 1.25 1.63 0.20 -2.65 116.57 117.29 2j8p h LYS 567 Ca 0.10 -0.31 -0.03 0.00 -0.85 0.00 0.00 60.65 59.56 2j8p h LYS 567 Cb 0.45 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 2j8p h LYS 567 CO 0.02 0.91 0.38 1.49 -3.45 0.00 0.00 179.45 178.80 2j8p h GLU 568 N 0.55 1.15 -0.79 1.90 4.81 0.25 -2.22 114.58 120.23 2j8p h GLU 568 Ca 0.06 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 2j8p h GLU 568 Cb 0.86 -0.21 -0.04 0.00 0.63 0.00 0.00 28.75 29.99 2j8p h GLU 568 CO 0.07 0.89 0.38 1.96 -0.73 0.00 0.00 179.01 181.59 2j8p h GLN 569 N 1.13 1.13 -0.84 1.92 7.50 -0.80 -1.79 115.11 123.36 2j8p h GLN 569 Ca 0.27 -0.16 0.01 0.00 0.50 0.00 0.00 58.65 59.28 2j8p h GLN 569 Cb 0.12 -0.21 -0.04 0.00 0.05 0.00 0.00 27.48 27.40 2j8p h GLN 569 CO -0.03 0.87 0.55 0.82 -1.50 0.00 0.00 178.83 179.54 2j8p h ILE 570 N 1.12 1.21 -0.65 2.54 2.04 -1.07 -1.16 117.51 121.55 2j8p h ILE 570 Ca 0.27 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 2j8p h ILE 570 Cb 0.11 -0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.14 2j8p h ILE 570 CO -0.04 0.21 0.31 1.56 0.00 0.00 0.00 178.15 180.19 2j8p h GLN 571 N 1.12 0.92 -3.47 2.37 1.08 -0.87 -3.49 115.11 112.78 2j8p h GLN 571 Ca 0.31 -0.12 0.36 0.00 -1.45 0.00 0.00 58.65 57.75 2j8p h GLN 571 Cb -0.11 -0.17 -0.17 0.00 -0.05 0.00 0.00 27.48 26.97 2j8p h GLN 571 CO -0.07 0.72 -1.08 1.63 -0.95 0.00 0.00 178.83 179.07 2j8p n LYS 572 N -4.34 -3.25 -0.18 1.46 5.02 -0.44 -4.07 118.16 112.36 2j8p n LYS 572 Ca 0.06 2.54 -0.11 0.00 -2.02 0.00 0.00 58.31 58.78 2j8p n LYS 572 Cb 0.14 -3.85 -0.08 0.00 -0.02 0.00 0.00 35.03 31.21 2j8p n LYS 572 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2j8p h SER 573 N -1.43 -1.61 -3.36 4.39 0.87 -1.89 -3.37 113.55 107.14 2j8p h SER 573 Ca -0.14 0.22 -0.57 0.00 -1.23 0.00 0.00 61.79 60.07 2j8p h SER 573 Cb 1.39 0.68 -0.07 0.00 -0.44 0.00 0.00 62.40 63.96 2j8p h SER 573 CO 0.06 -0.29 0.14 -0.89 -0.53 0.00 0.00 176.83 175.32 2j8p s THR 574 N -5.14 5.01 0.00 2.23 2.01 -1.26 -4.77 115.64 113.73 2j8p s THR 574 Ca -0.11 1.41 0.00 0.00 0.31 0.00 0.00 61.69 63.30 2j8p s THR 574 Cb 0.07 -4.03 0.00 0.00 0.01 0.00 0.00 72.50 68.55 2j8p s THR 574 CO 0.51 0.18 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 2j8p n GLY 575 N 3.31 -1.20 1.44 4.40 0.00 -1.26 -4.96 105.19 106.92 2j8p n GLY 575 Ca -0.00 0.55 0.16 0.00 0.00 0.00 0.00 46.02 46.73 2j8p n GLY 575 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j8p n ALA 576 N 0.00 -3.67 1.50 4.61 0.00 -1.26 -5.16 120.51 116.53 2j8p n ALA 576 Ca 0.00 0.92 0.12 0.00 0.00 0.00 0.00 53.44 54.48 2j8p n ALA 576 Cb 0.00 -1.57 0.71 0.00 0.00 0.00 0.00 19.45 18.59 2j8p n ALA 576 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15