#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bj4 n ASN 586 N 0.00 3.62 -4.78 6.43 3.02 -1.26 -4.35 115.26 117.94 3bj4 n ASN 586 Ca 0.00 -1.99 -0.32 0.00 -0.03 0.00 0.00 54.58 52.23 3bj4 n ASN 586 Cb 0.00 -0.43 0.06 0.00 -0.61 0.00 0.00 39.78 38.80 3bj4 n ASN 586 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3bj4 s THR 587 N -1.14 3.40 0.22 3.41 -4.23 -1.26 -4.81 115.64 111.23 3bj4 s THR 587 Ca 0.45 0.56 -0.08 0.00 -1.18 0.00 0.00 61.69 61.44 3bj4 s THR 587 Cb 0.24 -3.09 0.16 0.00 1.34 0.00 0.00 72.50 71.14 3bj4 s THR 587 CO 0.31 -0.49 1.80 0.40 -0.54 0.00 0.00 174.62 176.10 3bj4 h ILE 588 N -0.42 0.93 -0.83 2.99 1.08 -1.99 0.20 117.51 119.47 3bj4 h ILE 588 Ca -0.45 -0.23 -0.02 0.00 -0.39 0.00 0.00 64.86 63.77 3bj4 h ILE 588 Cb 1.23 0.20 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 3bj4 h ILE 588 CO 0.54 0.12 0.46 1.23 -0.69 0.00 0.00 178.15 179.80 3bj4 h GLY 589 N 0.67 1.24 0.99 5.37 0.00 -1.98 0.62 103.07 109.98 3bj4 h GLY 589 Ca 0.32 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.97 3bj4 h GLY 589 CO -0.21 0.54 -0.23 0.00 0.00 0.00 0.00 176.54 176.64 3bj4 h ALA 590 N 1.24 0.48 -0.16 3.60 0.00 -1.59 -1.70 119.26 121.13 3bj4 h ALA 590 Ca 0.29 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3bj4 h ALA 590 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3bj4 h ALA 590 CO -0.05 0.46 0.06 0.00 0.00 0.00 0.00 179.25 179.72 3bj4 h ARG 591 N 0.53 0.24 -0.71 0.00 3.08 -0.44 -2.48 114.38 114.60 3bj4 h ARG 591 Ca 0.07 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3bj4 h ARG 591 Cb 0.79 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.77 3bj4 h ARG 591 CO 0.06 0.35 0.34 -0.07 -1.07 0.00 0.00 179.97 179.58 3bj4 h LEU 592 N 0.09 0.90 -0.92 3.04 3.38 -0.87 -1.24 115.31 119.69 3bj4 h LEU 592 Ca 0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3bj4 h LEU 592 Cb 0.20 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.68 3bj4 h LEU 592 CO -0.00 0.76 0.39 0.78 0.09 0.00 0.00 178.44 180.46 3bj4 h ASN 593 N 1.00 1.05 -0.49 -0.43 4.21 -1.22 -0.33 115.58 119.38 3bj4 h ASN 593 Ca 0.25 -0.12 -0.10 0.00 1.21 0.00 0.00 56.30 57.53 3bj4 h ASN 593 Cb 0.10 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.01 3bj4 h ASN 593 CO -0.03 0.89 -0.08 0.03 -1.29 0.00 0.00 177.43 176.94 3bj4 h ARG 594 N 1.15 0.92 -0.33 0.81 3.08 -0.94 -1.29 114.38 117.78 3bj4 h ARG 594 Ca 0.28 -0.33 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 3bj4 h ARG 594 Cb 0.12 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 3bj4 h ARG 594 CO -0.03 0.99 0.04 0.28 -1.07 0.00 0.00 179.97 180.17 3bj4 h VAL 595 N 0.77 1.24 -0.45 2.04 2.07 -0.98 0.13 116.25 121.07 3bj4 h VAL 595 Ca 0.13 -0.86 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 3bj4 h VAL 595 Cb 0.63 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3bj4 h VAL 595 CO 0.04 0.28 0.17 -0.08 0.02 0.00 0.00 177.57 178.00 3bj4 h GLU 596 N 0.38 0.68 -0.08 1.57 4.81 -0.97 -0.32 114.58 120.64 3bj4 h GLU 596 Ca 0.10 -0.13 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3bj4 h GLU 596 Cb 0.37 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3bj4 h GLU 596 CO 0.01 0.63 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.41 3bj4 h ASP 597 N 0.59 -0.23 -0.82 1.04 3.32 -1.13 -1.11 116.42 118.08 3bj4 h ASP 597 Ca 0.15 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.25 3bj4 h ASP 597 Cb 0.21 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 3bj4 h ASP 597 CO -0.01 -0.10 0.54 0.11 -1.72 0.00 0.00 179.24 178.06 3bj4 h LYS 598 N -0.09 1.07 -0.72 3.56 1.57 -0.76 -1.47 116.57 119.73 3bj4 h LYS 598 Ca 0.06 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3bj4 h LYS 598 Cb 0.17 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3bj4 h LYS 598 CO -0.14 0.71 0.24 0.28 -0.57 0.00 0.00 179.45 179.97 3bj4 h VAL 599 N 1.11 1.26 -0.70 0.50 2.07 -0.89 -0.62 116.25 118.97 3bj4 h VAL 599 Ca 0.30 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.98 3bj4 h VAL 599 Cb -0.13 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 3bj4 h VAL 599 CO -0.06 0.34 0.43 0.74 0.02 0.00 0.00 177.57 179.04 3bj4 h THR 600 N 1.06 1.06 -0.66 2.57 2.02 -0.94 -2.12 112.91 115.90 3bj4 h THR 600 Ca 0.23 -0.28 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 3bj4 h THR 600 Cb 0.29 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 3bj4 h THR 600 CO -0.01 0.15 0.23 1.56 0.37 0.00 0.00 175.52 177.82 3bj4 h GLN 601 N 0.82 0.98 -0.97 6.66 4.20 -0.72 -2.06 115.11 124.02 3bj4 h GLN 601 Ca 0.29 -0.18 0.04 0.00 0.06 0.00 0.00 58.65 58.86 3bj4 h GLN 601 Cb 0.07 -0.16 -0.06 0.00 0.30 0.00 0.00 27.48 27.63 3bj4 h GLN 601 CO -0.13 0.83 0.64 -0.07 -0.67 0.00 0.00 178.83 179.42 3bj4 h LEU 602 N 0.96 1.06 -0.72 1.46 3.38 -0.67 -1.36 115.31 119.41 3bj4 h LEU 602 Ca 0.22 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.09 3bj4 h LEU 602 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3bj4 h LEU 602 CO -0.01 0.73 0.03 -0.78 0.09 0.00 0.00 178.44 178.49 3bj4 h ASP 603 N 1.23 0.98 -0.09 -0.43 1.82 -0.86 -0.34 116.42 118.72 3bj4 h ASP 603 Ca 0.39 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.77 3bj4 h ASP 603 Cb 0.00 -0.26 -0.00 0.00 0.68 0.00 0.00 39.33 39.75 3bj4 h ASP 603 CO -0.12 1.02 0.06 1.56 -1.61 0.00 0.00 179.24 180.15 3bj4 h GLN 604 N 0.93 0.12 -0.42 0.28 4.20 -0.96 -1.22 115.11 118.04 3bj4 h GLN 604 Ca 0.17 -0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.95 3bj4 h GLN 604 Cb 0.50 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 3bj4 h GLN 604 CO 0.02 0.08 0.03 0.00 -0.67 0.00 0.00 178.83 178.30 3bj4 h ARG 605 N 0.12 0.14 -1.01 1.46 3.08 -1.06 -2.21 114.38 114.90 3bj4 h ARG 605 Ca 0.03 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.18 3bj4 h ARG 605 Cb -0.01 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 29.93 3bj4 h ARG 605 CO -0.01 0.09 0.64 -0.07 -1.07 0.00 0.00 179.97 179.56 3bj4 h LEU 606 N 0.15 0.97 -0.78 3.04 4.07 -0.83 0.05 115.31 121.97 3bj4 h LEU 606 Ca 0.21 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 58.12 3bj4 h LEU 606 Cb 0.28 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 3bj4 h LEU 606 CO -0.32 0.56 0.03 0.00 -1.08 0.00 0.00 178.44 177.62 3bj4 h ALA 607 N 1.51 0.98 -0.26 1.53 0.00 -0.65 -0.70 119.26 121.68 3bj4 h ALA 607 Ca 0.48 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3bj4 h ALA 607 Cb 0.37 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3bj4 h ALA 607 CO -0.23 0.63 -0.17 1.25 0.00 0.00 0.00 179.25 180.72 3bj4 h LEU 608 N 0.88 0.59 -0.69 0.00 5.85 -0.85 -1.64 115.31 119.45 3bj4 h LEU 608 Ca 0.17 -0.44 0.04 0.00 0.84 0.00 0.00 57.88 58.49 3bj4 h LEU 608 Cb 0.48 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3bj4 h LEU 608 CO 0.02 0.90 0.42 0.40 -0.34 0.00 0.00 178.44 179.84 3bj4 h ILE 609 N 0.29 1.06 -0.54 4.05 2.04 -0.90 -0.91 117.51 122.61 3bj4 h ILE 609 Ca 0.05 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3bj4 h ILE 609 Cb 0.70 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3bj4 h ILE 609 CO 0.05 0.15 0.29 0.74 0.00 0.00 0.00 178.15 179.37 3bj4 h THR 610 N 0.81 1.19 -0.27 -0.27 2.02 -1.04 -1.13 112.91 114.22 3bj4 h THR 610 Ca 0.28 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.92 3bj4 h THR 610 Cb 0.06 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3bj4 h THR 610 CO -0.13 0.20 -0.08 0.44 0.37 0.00 0.00 175.52 176.33 3bj4 h ASP 611 N 0.72 0.41 -0.34 4.18 5.19 -0.95 -1.11 116.42 124.51 3bj4 h ASP 611 Ca 0.19 -0.09 -0.16 0.00 -0.62 0.00 0.00 57.03 56.35 3bj4 h ASP 611 Cb 0.07 -0.11 -0.00 0.00 0.18 0.00 0.00 39.33 39.46 3bj4 h ASP 611 CO -0.03 0.54 -0.41 0.24 -3.12 0.00 0.00 179.24 176.46 3bj4 h MET 612 N 0.41 0.89 -0.38 3.56 2.86 -0.80 -2.48 114.93 119.00 3bj4 h MET 612 Ca 0.08 -0.49 -0.11 0.00 -2.06 0.00 0.00 59.70 57.12 3bj4 h MET 612 Cb 0.40 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 3bj4 h MET 612 CO 0.02 1.14 -0.21 -0.07 1.06 0.00 0.00 176.91 178.85 3bj4 h LEU 613 N 0.69 0.75 -0.59 1.22 3.38 -0.92 -0.96 115.31 118.87 3bj4 h LEU 613 Ca 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3bj4 h LEU 613 Cb 1.01 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3bj4 h LEU 613 CO 0.10 0.95 0.38 0.45 0.09 0.00 0.00 178.44 180.40 3bj4 h HIS 614 N 0.65 0.76 -0.35 1.13 3.86 -1.24 -0.54 115.15 119.43 3bj4 h HIS 614 Ca 0.09 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.34 3bj4 h HIS 614 Cb 0.71 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.90 3bj4 h HIS 614 CO 0.04 0.50 0.17 1.96 0.86 0.00 0.00 177.93 181.46 3bj4 h GLN 615 N 0.80 0.34 -0.72 2.45 4.20 -1.12 -1.44 115.11 119.61 3bj4 h GLN 615 Ca 0.21 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.84 3bj4 h GLN 615 Cb -0.06 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 3bj4 h GLN 615 CO -0.04 0.23 0.20 -0.07 -0.67 0.00 0.00 178.83 178.47 3bj4 h LEU 616 N 0.35 1.08 -0.38 1.46 3.38 -1.00 -0.66 115.31 119.54 3bj4 h LEU 616 Ca 0.15 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3bj4 h LEU 616 Cb 0.06 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3bj4 h LEU 616 CO -0.11 1.02 -0.05 -0.07 0.09 0.00 0.00 178.44 179.32 3bj4 h LEU 617 N 1.08 0.69 -0.41 1.67 3.38 -0.97 -2.91 115.31 117.85 3bj4 h LEU 617 Ca 0.23 -0.34 -0.18 0.00 0.09 0.00 0.00 57.88 57.68 3bj4 h LEU 617 Cb 0.34 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3bj4 h LEU 617 CO -0.00 0.87 -0.63 0.77 0.09 0.00 0.00 178.44 179.54 3bj4 h SER 618 N 0.50 0.67 -0.06 -0.43 4.64 -1.13 -2.31 113.55 115.43 3bj4 h SER 618 Ca 0.10 -0.39 0.02 0.00 -0.47 0.00 0.00 61.79 61.05 3bj4 h SER 618 Cb 0.54 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3bj4 h SER 618 CO 0.03 1.13 0.06 0.25 -0.87 0.00 0.00 176.83 177.43 3bj4 h LEU 619 N 0.43 0.00 0.08 5.97 6.46 -1.14 -2.60 115.31 124.52 3bj4 h LEU 619 Ca -0.01 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.45 3bj4 h LEU 619 Cb 1.20 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.11 3bj4 h LEU 619 CO 0.12 0.00 -1.56 0.45 -0.62 0.00 0.00 178.44 176.83 3bj4 h HIS 620 N 0.00 0.30 0.00 1.25 3.86 -1.25 -3.51 115.15 115.81 3bj4 h HIS 620 Ca 0.03 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 3bj4 h HIS 620 Cb 0.15 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3bj4 h HIS 620 CO 0.00 1.29 0.00 0.41 0.86 0.00 0.00 177.93 180.49