#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jek h GLN 629 N 0.00 1.04 -0.39 5.87 4.15 -2.05 0.24 115.11 123.96 1jek h GLN 629 Ca 0.00 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.22 1jek h GLN 629 Cb 0.00 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 1jek h GLN 629 CO 0.00 0.69 -0.32 0.37 -1.93 0.00 0.00 178.83 177.64 1jek h GLN 630 N 1.07 0.87 -0.68 1.69 5.75 -2.05 -0.00 115.11 121.75 1jek h GLN 630 Ca 0.32 -0.41 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 1jek h GLN 630 Cb -0.03 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 1jek h GLN 630 CO -0.09 1.06 0.31 2.35 -2.65 0.00 0.00 178.83 179.81 1jek h TRP 631 N 0.73 0.99 -0.21 3.99 7.01 -1.73 -0.55 115.95 126.18 1jek h TRP 631 Ca 0.08 -0.06 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 1jek h TRP 631 Cb 0.88 -0.31 -0.01 0.00 -2.10 0.00 0.00 29.16 27.63 1jek h TRP 631 CO 0.05 0.75 0.07 0.93 -2.79 0.00 0.00 178.44 177.45 1jek h GLU 632 N 0.95 0.33 -0.76 2.65 4.39 -0.62 0.59 114.58 122.11 1jek h GLU 632 Ca 0.23 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.89 1jek h GLU 632 Cb 0.15 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1jek h GLU 632 CO -0.03 0.42 0.48 0.93 -1.16 0.00 0.00 179.01 179.66 1jek h GLU 633 N 0.17 0.91 -0.50 2.33 5.08 -0.78 -1.73 114.58 120.07 1jek h GLU 633 Ca 0.07 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 58.26 1jek h GLU 633 Cb 0.23 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1jek h GLU 633 CO -0.00 0.61 -0.15 0.93 -1.00 0.00 0.00 179.01 179.39 1jek h GLU 634 N 0.94 0.97 -0.14 2.33 5.08 -0.76 -2.33 114.58 120.67 1jek h GLU 634 Ca 0.31 -0.37 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1jek h GLU 634 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1jek h GLU 634 CO -0.11 1.04 -0.28 0.97 -1.00 0.00 0.00 179.01 179.63 1jek h ILE 635 N 0.85 1.25 -0.40 3.13 2.10 -0.50 -1.04 117.51 122.91 1jek h ILE 635 Ca 0.13 -1.21 -0.08 0.00 1.08 0.00 0.00 64.86 64.77 1jek h ILE 635 Cb 0.71 1.47 -0.02 0.00 -1.09 0.00 0.00 36.82 37.89 1jek h ILE 635 CO 0.05 0.37 -0.10 -0.33 -1.08 0.00 0.00 178.15 177.06 1jek h GLU 636 N 0.23 0.70 -0.41 2.19 5.08 -1.06 -0.49 114.58 120.82 1jek h GLU 636 Ca 0.03 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 1jek h GLU 636 Cb 0.63 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1jek h GLU 636 CO 0.05 0.79 -0.22 1.96 -1.00 0.00 0.00 179.01 180.58 1jek h GLN 637 N 0.64 0.87 -0.66 2.33 4.20 -0.86 -1.14 115.11 120.49 1jek h GLN 637 Ca 0.11 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.42 1jek h GLN 637 Cb 0.55 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.28 1jek h GLN 637 CO 0.03 1.04 0.37 0.45 -0.67 0.00 0.00 178.83 180.05 1jek h HIS 638 N 0.69 0.90 -0.31 2.96 3.86 -0.84 -1.87 115.15 120.54 1jek h HIS 638 Ca 0.09 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1jek h HIS 638 Cb 0.79 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 1jek h HIS 638 CO 0.06 0.63 0.06 0.93 0.86 0.00 0.00 177.93 180.47 1jek h GLU 639 N 0.90 0.50 -0.36 2.45 5.08 -0.92 0.67 114.58 122.90 1jek h GLU 639 Ca 0.23 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1jek h GLU 639 Cb 0.03 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 1jek h GLU 639 CO -0.04 0.59 0.20 0.78 -1.00 0.00 0.00 179.01 179.54 1jek h GLY 640 N 0.34 0.49 1.21 -3.84 0.00 -1.04 -0.13 103.07 100.10 1jek h GLY 640 Ca 0.10 -0.14 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 1jek h GLY 640 CO 0.00 0.12 -0.31 -0.57 0.00 0.00 0.00 176.54 175.79 1jek h ASN 641 N 0.40 0.92 -0.59 0.19 -0.73 -1.25 -2.35 115.58 112.17 1jek h ASN 641 Ca 0.14 -0.38 -0.09 0.00 1.87 0.00 0.00 56.30 57.84 1jek h ASN 641 Cb 0.03 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 1jek h ASN 641 CO -0.08 1.15 0.01 0.25 -0.37 0.00 0.00 177.43 178.39 1jek h LEU 642 N 0.74 1.03 -0.94 0.34 5.85 -0.54 -1.19 115.31 120.61 1jek h LEU 642 Ca 0.08 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1jek h LEU 642 Cb 0.87 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 1jek h LEU 642 CO 0.08 1.07 0.55 0.77 -0.34 0.00 0.00 178.44 180.57 1jek h SER 643 N 0.96 1.14 -0.45 1.25 4.64 -0.90 0.58 113.55 120.77 1jek h SER 643 Ca 0.17 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 61.36 1jek h SER 643 Cb 0.54 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.33 1jek h SER 643 CO 0.03 0.88 0.06 0.25 -0.87 0.00 0.00 176.83 177.18 1jek h LEU 644 N 1.30 0.73 -0.76 5.97 5.85 -1.08 -1.40 115.31 125.91 1jek h LEU 644 Ca 0.33 -0.27 -0.12 0.00 0.84 0.00 0.00 57.88 58.66 1jek h LEU 644 Cb -0.03 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1jek h LEU 644 CO -0.06 0.81 -0.37 -0.07 -0.34 0.00 0.00 178.44 178.41 1jek h LEU 645 N 0.61 0.53 -0.42 2.25 3.38 -0.70 -2.12 115.31 118.84 1jek h LEU 645 Ca 0.13 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1jek h LEU 645 Cb 0.40 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1jek h LEU 645 CO 0.01 0.85 0.08 -0.07 0.09 0.00 0.00 178.44 179.40 1jek h LEU 646 N 0.42 0.66 -0.59 1.67 3.38 -0.70 -1.03 115.31 119.12 1jek h LEU 646 Ca 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1jek h LEU 646 Cb 0.84 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.39 1jek h LEU 646 CO 0.07 0.74 0.33 -0.09 0.09 0.00 0.00 178.44 179.58 1jek h ARG 647 N 0.55 0.81 -0.58 1.13 2.43 -1.09 -0.30 114.38 117.34 1jek h ARG 647 Ca 0.13 -0.09 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 1jek h ARG 647 Cb 0.36 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1jek h ARG 647 CO 0.01 0.61 0.06 1.49 -1.51 0.00 0.00 179.97 180.63 1jek h GLU 648 N 0.79 0.97 -0.44 0.20 4.57 -1.29 -1.12 114.58 118.26 1jek h GLU 648 Ca 0.21 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1jek h GLU 648 Cb 0.03 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1jek h GLU 648 CO -0.03 0.94 0.20 0.00 -1.18 0.00 0.00 179.01 178.94 1jek h ALA 649 N 0.99 0.57 -0.89 2.92 0.00 -0.95 -1.13 119.26 120.78 1jek h ALA 649 Ca 0.17 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1jek h ALA 649 Cb 0.46 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1jek h ALA 649 CO 0.02 0.15 0.56 0.00 0.00 0.00 0.00 179.25 179.98 1jek h ALA 650 N 1.05 1.22 -0.18 0.00 0.00 -0.72 0.17 119.26 120.80 1jek h ALA 650 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1jek h ALA 650 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1jek h ALA 650 CO -0.02 0.33 0.07 -0.07 0.00 0.00 0.00 179.25 179.57 1jek h LEU 651 N 1.03 0.24 -1.02 0.00 3.38 -0.90 -0.86 115.31 117.18 1jek h LEU 651 Ca 0.38 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1jek h LEU 651 Cb 0.14 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1jek h LEU 651 CO -0.16 0.34 0.15 1.56 0.09 0.00 0.00 178.44 180.42 1jek h GLN 652 N 0.13 0.85 -0.73 1.13 4.20 -0.57 -1.68 115.11 118.44 1jek h GLN 652 Ca 0.06 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 1jek h GLN 652 Cb 0.17 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 1jek h GLN 652 CO -0.00 0.76 0.29 0.28 -0.67 0.00 0.00 178.83 179.48 1jek h VAL 653 N 0.82 1.25 -0.56 -0.54 2.07 -0.43 -1.65 116.25 117.21 1jek h VAL 653 Ca 0.18 -0.78 -0.00 0.00 0.82 0.00 0.00 66.70 66.91 1jek h VAL 653 Cb 0.28 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1jek h VAL 653 CO -0.00 0.32 0.34 -0.74 0.02 0.00 0.00 177.57 177.50 1jek h HIS 654 N 1.04 0.74 -0.65 1.57 -0.00 -0.65 -0.22 115.15 116.99 1jek h HIS 654 Ca 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1jek h HIS 654 Cb 0.21 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.35 1jek h HIS 654 CO 0.02 0.51 0.40 0.82 -0.00 0.00 0.00 177.93 179.69 1jek h ILE 655 N 0.76 1.18 -0.50 6.26 2.04 -1.08 -0.08 117.51 126.09 1jek h ILE 655 Ca 0.20 -0.37 -0.10 0.00 1.00 0.00 0.00 64.86 65.59 1jek h ILE 655 Cb -0.01 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 1jek h ILE 655 CO -0.04 0.18 -0.09 0.00 0.00 0.00 0.00 178.15 178.20 1jek h ALA 656 N 1.21 0.90 -0.73 1.87 0.00 -0.87 -0.74 119.26 120.89 1jek h ALA 656 Ca 0.23 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1jek h ALA 656 Cb -0.05 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1jek h ALA 656 CO -0.05 0.64 0.23 1.96 0.00 0.00 0.00 179.25 182.03 1jek h GLN 657 N 0.82 1.14 -0.33 0.00 4.20 -0.55 -1.30 115.11 119.09 1jek h GLN 657 Ca 0.14 -0.25 -0.13 0.00 0.06 0.00 0.00 58.65 58.47 1jek h GLN 657 Cb 0.61 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1jek h GLN 657 CO 0.04 0.97 -0.32 -0.09 -0.67 0.00 0.00 178.83 178.76 1jek h ARG 658 N 1.08 0.71 -0.59 1.46 2.43 -0.72 -2.42 114.38 116.33 1jek h ARG 658 Ca 0.24 -0.33 -0.09 0.00 -0.81 0.00 0.00 59.98 58.99 1jek h ARG 658 Cb 0.31 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 1jek h ARG 658 CO -0.01 0.94 0.02 -0.44 -1.51 0.00 0.00 179.97 178.97 1jek h ASP 659 N 0.60 1.01 0.98 -3.80 3.45 -0.83 -2.89 116.42 114.93 1jek h ASP 659 Ca 0.07 -0.30 -0.02 0.00 0.43 0.00 0.00 57.03 57.21 1jek h ASP 659 Cb 0.84 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 39.34 1jek h ASP 659 CO 0.07 1.06 -0.09 0.00 -1.57 0.00 0.00 179.24 178.71 1jek h ALA 660 N 0.99 1.02 0.00 3.45 0.00 -0.98 -3.51 119.26 120.22 1jek h ALA 660 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jek h ALA 660 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jek h ALA 660 CO 0.03 0.11 0.00 -2.13 0.00 0.00 0.00 179.25 177.26