#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bj4 n SER 585 N 0.00 -0.32 0.00 1.61 7.64 -1.26 -1.63 113.62 119.65 3bj4 n SER 585 Ca 0.00 -0.23 0.00 0.00 1.01 0.00 0.00 58.87 59.65 3bj4 n SER 585 Cb 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 3bj4 n SER 585 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3bj4 n ASN 586 N 0.73 0.00 -4.74 6.43 4.05 -1.26 -5.09 115.26 115.38 3bj4 n ASN 586 Ca 0.00 0.00 -0.38 0.00 0.45 0.00 0.00 54.58 54.65 3bj4 n ASN 586 Cb 0.08 0.00 0.05 0.00 1.23 0.00 0.00 39.78 41.14 3bj4 n ASN 586 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 3bj4 n THR 587 N 0.00 4.10 -0.19 -0.44 -1.04 -0.65 -4.81 114.28 111.25 3bj4 n THR 587 Ca 0.00 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.43 3bj4 n THR 587 Cb 0.00 -1.63 0.02 0.00 -1.82 0.00 0.00 70.33 66.89 3bj4 n THR 587 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 3bj4 h ILE 588 N 1.24 1.21 -0.45 12.58 2.04 -1.99 0.01 117.51 132.14 3bj4 h ILE 588 Ca -0.51 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 64.71 3bj4 h ILE 588 Cb 1.31 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3bj4 h ILE 588 CO 0.56 0.24 0.10 1.23 0.00 0.00 0.00 178.15 180.28 3bj4 h GLY 589 N 0.72 0.73 0.57 5.37 0.00 -1.99 -1.12 103.07 107.34 3bj4 h GLY 589 Ca 0.18 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3bj4 h GLY 589 CO -0.02 0.38 -0.07 0.00 0.00 0.00 0.00 176.54 176.83 3bj4 h ALA 590 N 1.46 0.07 -0.46 3.60 0.00 -1.81 -1.30 119.26 120.82 3bj4 h ALA 590 Ca 0.15 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.84 3bj4 h ALA 590 Cb 0.26 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3bj4 h ALA 590 CO -0.00 -0.11 0.11 0.00 0.00 0.00 0.00 179.25 179.25 3bj4 h ARG 591 N -0.35 0.24 -0.17 0.00 3.08 -0.92 -0.31 114.38 115.95 3bj4 h ARG 591 Ca 0.01 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 3bj4 h ARG 591 Cb 0.60 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3bj4 h ARG 591 CO 0.02 0.16 -0.08 -0.07 -1.07 0.00 0.00 179.97 178.93 3bj4 h LEU 592 N 0.25 0.25 -0.23 3.04 3.38 -1.20 0.06 115.31 120.87 3bj4 h LEU 592 Ca 0.22 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 3bj4 h LEU 592 Cb 0.27 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3bj4 h LEU 592 CO -0.28 0.37 -0.01 -1.13 0.09 0.00 0.00 178.44 177.48 3bj4 h ASN 593 N 0.26 0.40 -0.07 -0.43 -1.24 -0.37 -0.34 115.58 113.79 3bj4 h ASN 593 Ca 0.06 -0.32 0.00 0.00 0.71 0.00 0.00 56.30 56.75 3bj4 h ASN 593 Cb 0.31 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.25 3bj4 h ASN 593 CO 0.02 0.63 0.04 0.03 -1.29 0.00 0.00 177.43 176.85 3bj4 h ARG 594 N 0.17 0.08 -0.38 6.67 3.08 -0.75 -1.33 114.38 121.91 3bj4 h ARG 594 Ca 0.06 -0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.16 3bj4 h ARG 594 Cb 0.43 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.41 3bj4 h ARG 594 CO 0.01 0.05 0.09 0.28 -1.07 0.00 0.00 179.97 179.34 3bj4 h VAL 595 N 0.08 0.82 -0.50 2.04 2.07 -0.92 -0.17 116.25 119.67 3bj4 h VAL 595 Ca 0.03 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 3bj4 h VAL 595 Cb -0.00 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 3bj4 h VAL 595 CO -0.01 0.04 0.13 -0.08 0.02 0.00 0.00 177.57 177.66 3bj4 h GLU 596 N 0.22 0.80 -0.47 1.57 4.81 -0.95 -0.93 114.58 119.63 3bj4 h GLU 596 Ca 0.18 -0.19 0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3bj4 h GLU 596 Cb 0.20 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 3bj4 h GLU 596 CO -0.23 0.77 0.31 -0.44 -0.73 0.00 0.00 179.01 178.69 3bj4 h ASP 597 N 0.69 0.53 -0.68 1.04 3.32 -0.96 -1.37 116.42 118.98 3bj4 h ASP 597 Ca 0.16 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 3bj4 h ASP 597 Cb 0.32 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.72 3bj4 h ASP 597 CO 0.00 0.38 0.12 0.11 -1.72 0.00 0.00 179.24 178.13 3bj4 h LYS 598 N 0.63 1.13 -0.57 3.56 1.57 -0.78 -0.83 116.57 121.28 3bj4 h LYS 598 Ca 0.18 -0.30 -0.07 0.00 -1.87 0.00 0.00 60.65 58.59 3bj4 h LYS 598 Cb -0.06 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 3bj4 h LYS 598 CO -0.05 1.02 0.08 0.28 -0.57 0.00 0.00 179.45 180.22 3bj4 h VAL 599 N 1.05 1.25 -0.53 0.50 2.07 -1.03 -0.11 116.25 119.46 3bj4 h VAL 599 Ca 0.21 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 3bj4 h VAL 599 Cb 0.44 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3bj4 h VAL 599 CO 0.01 0.35 0.24 0.74 0.02 0.00 0.00 177.57 178.93 3bj4 h THR 600 N 0.87 1.21 -0.70 2.57 2.02 -0.89 -1.25 112.91 116.74 3bj4 h THR 600 Ca 0.18 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3bj4 h THR 600 Cb 0.39 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 3bj4 h THR 600 CO 0.01 0.24 0.30 1.56 0.37 0.00 0.00 175.52 178.00 3bj4 h GLN 601 N 0.71 1.01 -0.94 6.66 4.20 -0.78 -2.08 115.11 123.89 3bj4 h GLN 601 Ca 0.18 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3bj4 h GLN 601 Cb 0.15 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.71 3bj4 h GLN 601 CO -0.02 0.81 0.57 -0.07 -0.67 0.00 0.00 178.83 179.45 3bj4 h LEU 602 N 1.00 1.12 -0.73 1.46 3.38 -0.56 -1.66 115.31 119.32 3bj4 h LEU 602 Ca 0.24 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 3bj4 h LEU 602 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3bj4 h LEU 602 CO -0.02 0.85 0.15 -0.78 0.09 0.00 0.00 178.44 178.73 3bj4 h ASP 603 N 1.29 1.07 -0.43 -0.43 1.82 -0.61 0.03 116.42 119.15 3bj4 h ASP 603 Ca 0.34 -0.23 -0.11 0.00 -0.39 0.00 0.00 57.03 56.63 3bj4 h ASP 603 Cb -0.06 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.65 3bj4 h ASP 603 CO -0.06 1.03 -0.17 1.56 -1.61 0.00 0.00 179.24 179.99 3bj4 h GLN 604 N 1.06 0.88 -0.70 0.28 4.20 -1.12 -0.95 115.11 118.76 3bj4 h GLN 604 Ca 0.22 -0.37 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 3bj4 h GLN 604 Cb 0.39 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3bj4 h GLN 604 CO 0.01 1.01 0.23 0.00 -0.67 0.00 0.00 178.83 179.41 3bj4 h ARG 605 N 0.70 1.09 -0.21 1.46 3.08 -1.09 -1.82 114.38 117.59 3bj4 h ARG 605 Ca 0.10 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 3bj4 h ARG 605 Cb 0.73 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 3bj4 h ARG 605 CO 0.06 0.93 -0.31 -0.07 -1.07 0.00 0.00 179.97 179.51 3bj4 h LEU 606 N 1.03 0.42 -0.79 3.04 3.38 -0.88 0.97 115.31 122.48 3bj4 h LEU 606 Ca 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3bj4 h LEU 606 Cb 0.29 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3bj4 h LEU 606 CO -0.01 0.71 0.46 0.00 0.09 0.00 0.00 178.44 179.69 3bj4 h ALA 607 N 1.32 1.01 -0.51 1.53 0.00 -1.00 -1.28 119.26 120.33 3bj4 h ALA 607 Ca 0.05 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3bj4 h ALA 607 Cb 0.72 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3bj4 h ALA 607 CO 0.06 0.49 -0.17 -0.07 0.00 0.00 0.00 179.25 179.56 3bj4 h LEU 608 N 1.09 1.03 -0.72 0.00 3.38 -0.84 -1.48 115.31 117.77 3bj4 h LEU 608 Ca 0.28 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3bj4 h LEU 608 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3bj4 h LEU 608 CO -0.05 1.17 0.44 0.40 0.09 0.00 0.00 178.44 180.49 3bj4 h ILE 609 N 0.88 1.20 -0.71 1.22 2.04 -0.73 -1.48 117.51 119.92 3bj4 h ILE 609 Ca 0.12 -0.44 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 3bj4 h ILE 609 Cb 0.75 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3bj4 h ILE 609 CO 0.06 0.21 0.27 0.74 0.00 0.00 0.00 178.15 179.43 3bj4 h THR 610 N 0.98 1.25 -0.63 -0.27 2.02 -1.08 -1.38 112.91 113.80 3bj4 h THR 610 Ca 0.26 -0.81 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 3bj4 h THR 610 Cb -0.04 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3bj4 h THR 610 CO -0.05 0.32 0.31 -0.78 0.37 0.00 0.00 175.52 175.70 3bj4 h ASP 611 N 1.03 0.82 -0.85 4.18 3.58 -0.95 -0.29 116.42 123.93 3bj4 h ASP 611 Ca 0.24 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 3bj4 h ASP 611 Cb 0.24 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.04 3bj4 h ASP 611 CO -0.02 0.71 0.45 0.24 -2.88 0.00 0.00 179.24 177.75 3bj4 h MET 612 N 0.87 1.20 -0.57 0.28 2.86 -0.87 -1.61 114.93 117.08 3bj4 h MET 612 Ca 0.22 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 3bj4 h MET 612 Cb 0.10 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 3bj4 h MET 612 CO -0.03 0.89 0.05 -0.07 1.06 0.00 0.00 176.91 178.81 3bj4 h LEU 613 N 1.20 0.91 -0.31 1.22 3.38 -0.96 -1.67 115.31 119.08 3bj4 h LEU 613 Ca 0.30 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 58.05 3bj4 h LEU 613 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3bj4 h LEU 613 CO -0.05 0.94 0.20 0.45 0.09 0.00 0.00 178.44 180.08 3bj4 h HIS 614 N 0.89 0.38 -0.74 1.13 3.86 -0.62 -0.79 115.15 119.25 3bj4 h HIS 614 Ca 0.17 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.47 3bj4 h HIS 614 Cb 0.46 -0.13 -0.07 0.00 1.06 0.00 0.00 27.41 28.73 3bj4 h HIS 614 CO 0.03 0.23 0.41 1.96 0.86 0.00 0.00 177.93 181.42 3bj4 h GLN 615 N 0.41 0.69 -0.26 2.45 4.20 -1.11 -0.11 115.11 121.38 3bj4 h GLN 615 Ca 0.12 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.75 3bj4 h GLN 615 Cb -0.04 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 3bj4 h GLN 615 CO -0.03 0.46 0.03 -0.07 -0.67 0.00 0.00 178.83 178.55 3bj4 h LEU 616 N 0.71 0.41 -0.76 1.46 3.38 -0.96 -1.33 115.31 118.23 3bj4 h LEU 616 Ca 0.35 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3bj4 h LEU 616 Cb 0.29 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3bj4 h LEU 616 CO -0.23 0.58 0.36 -0.07 0.09 0.00 0.00 178.44 179.18 3bj4 h LEU 617 N 0.24 0.99 -1.09 1.67 3.38 -0.99 -3.03 115.31 116.48 3bj4 h LEU 617 Ca 0.08 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 3bj4 h LEU 617 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3bj4 h LEU 617 CO 0.01 0.84 -0.32 0.28 0.09 0.00 0.00 178.44 179.34 3bj4 h SER 618 N 1.06 0.24 0.84 -0.43 0.02 -0.81 -2.71 113.55 111.76 3bj4 h SER 618 Ca 0.26 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3bj4 h SER 618 Cb 0.12 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3bj4 h SER 618 CO -0.03 0.56 -0.14 0.00 -1.14 0.00 0.00 176.83 176.08 3bj4 n LEU 619 N -4.11 0.15 -0.01 5.07 -0.00 -0.52 -3.39 117.00 114.19 3bj4 n LEU 619 Ca -0.01 0.35 -0.14 0.00 -0.00 0.00 0.00 56.01 56.20 3bj4 n LEU 619 Cb 0.41 -0.42 -0.14 0.00 -0.00 0.00 0.00 43.42 43.27 3bj4 n LEU 619 CO 0.40 0.04 -0.68 1.41 -0.00 0.00 0.00 177.39 178.57 3bj4 n HIS 620 N -1.48 1.08 0.51 1.47 8.25 -1.07 -5.10 115.22 118.88 3bj4 n HIS 620 Ca 0.07 0.31 0.04 0.00 -0.26 0.00 0.00 57.72 57.88 3bj4 n HIS 620 Cb 0.34 -1.17 0.24 0.00 1.12 0.00 0.00 29.99 30.52 3bj4 n HIS 620 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39