#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va3 n LYS 596 N 0.00 1.37 -1.70 1.64 5.02 -1.26 -4.77 118.16 118.45 1va3 n LYS 596 Ca 0.00 -3.05 -0.24 0.00 -2.02 0.00 0.00 58.31 53.00 1va3 n LYS 596 Cb 0.00 -1.26 0.06 0.00 -0.02 0.00 0.00 35.03 33.81 1va3 n LYS 596 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1va3 n PHE 597 N -0.64 2.64 -2.68 2.13 3.72 -1.26 -5.02 117.46 116.35 1va3 n PHE 597 Ca 0.17 -2.35 -0.00 0.00 -0.05 0.00 0.00 57.45 55.23 1va3 n PHE 597 Cb 0.84 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 1va3 n PHE 597 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1va3 n ALA 598 N -0.81 0.01 -3.95 4.37 0.00 -1.26 -2.53 120.51 116.33 1va3 n ALA 598 Ca 0.47 -0.02 -0.31 0.00 0.00 0.00 0.00 53.44 53.58 1va3 n ALA 598 Cb 0.89 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.19 1va3 n ALA 598 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1va3 h PRO 600 N 7.83 0.00 -0.65 0.00 0.13 -2.00 -3.09 132.00 134.22 1va3 h PRO 600 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1va3 h PRO 600 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1va3 h PRO 600 CO 0.56 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 1va3 n GLU 601 N -2.40 3.07 -3.93 0.86 1.02 -1.26 -4.95 120.64 113.06 1va3 n GLU 601 Ca 0.04 -1.94 0.03 0.00 -0.02 0.00 0.00 57.16 55.27 1va3 n GLU 601 Cb 0.37 -1.80 0.01 0.00 -0.02 0.00 0.00 31.44 30.00 1va3 n GLU 601 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1va3 n PRO 603 N -0.84 0.41 -1.87 0.00 -0.04 -1.26 -4.65 135.00 126.76 1va3 n PRO 603 Ca 0.02 0.08 -0.39 0.00 -0.04 0.00 0.00 63.50 63.17 1va3 n PRO 603 Cb 0.59 -1.72 0.02 0.00 -0.04 0.00 0.00 33.50 32.34 1va3 n PRO 603 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1va3 s LYS 604 N -3.25 3.65 0.09 0.54 3.01 -1.26 -4.94 119.74 117.58 1va3 s LYS 604 Ca 0.03 2.31 0.08 0.00 -1.01 0.00 0.00 55.97 57.38 1va3 s LYS 604 Cb 0.12 -2.59 -0.03 0.00 -1.01 0.00 0.00 37.83 34.31 1va3 s LYS 604 CO 0.76 -0.81 -0.21 1.03 0.51 0.00 0.00 175.35 176.63 1va3 s ARG 605 N -2.50 1.16 0.03 1.68 0.52 -1.26 -3.15 118.95 115.43 1va3 s ARG 605 Ca 0.62 -1.13 0.07 0.00 -0.52 0.00 0.00 55.73 54.76 1va3 s ARG 605 Cb -0.41 -1.41 -0.02 0.00 0.52 0.00 0.00 34.95 33.62 1va3 s ARG 605 CO 0.52 0.33 -0.19 -0.06 0.02 0.00 0.00 175.30 175.92 1va3 s PHE 606 N -1.11 1.71 -0.37 -0.53 0.40 -1.05 -4.99 117.98 112.04 1va3 s PHE 606 Ca 0.07 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 56.11 1va3 s PHE 606 Cb -0.10 -1.03 0.66 0.00 0.51 0.00 0.00 43.02 43.05 1va3 s PHE 606 CO 0.04 0.06 1.73 0.00 0.70 0.00 0.00 175.22 177.75 1va3 n MET 607 N 2.02 3.13 -3.85 0.44 0.00 -1.26 -4.11 117.12 113.49 1va3 n MET 607 Ca -0.17 -2.74 -0.08 0.00 0.00 0.00 0.00 57.70 54.71 1va3 n MET 607 Cb 0.54 -2.11 -0.03 0.00 0.00 0.00 0.00 33.22 31.62 1va3 n MET 607 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1va3 s ARG 608 N -2.78 1.69 -0.11 3.17 0.52 -1.26 -5.06 118.95 115.12 1va3 s ARG 608 Ca 0.50 -0.99 0.13 0.00 -0.52 0.00 0.00 55.73 54.84 1va3 s ARG 608 Cb 0.40 0.58 -0.19 0.00 0.52 0.00 0.00 34.95 36.27 1va3 s ARG 608 CO 0.12 -0.76 0.12 -1.13 0.02 0.00 0.00 175.30 173.66 1va3 n SER 609 N -0.43 1.58 -0.09 0.23 3.41 -1.26 -3.85 113.62 113.21 1va3 n SER 609 Ca -0.05 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.49 1va3 n SER 609 Cb 0.60 1.05 -0.00 0.00 -0.26 0.00 0.00 64.21 65.59 1va3 n SER 609 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 1va3 h ASP 610 N 0.00 0.20 0.41 4.04 2.03 -2.00 -1.06 116.42 120.04 1va3 h ASP 610 Ca -0.28 0.02 -0.31 0.00 -0.73 0.00 0.00 57.03 55.72 1va3 h ASP 610 Cb 1.57 -0.02 0.02 0.00 -0.83 0.00 0.00 39.33 40.07 1va3 h ASP 610 CO 0.02 0.15 -1.44 -0.74 -1.03 0.00 0.00 179.24 176.20 1va3 h HIS 611 N 0.30 0.72 0.00 4.15 2.76 -2.01 -3.24 115.15 117.83 1va3 h HIS 611 Ca 0.13 -0.52 0.00 0.00 -2.20 0.00 0.00 60.37 57.78 1va3 h HIS 611 Cb 0.06 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1va3 h HIS 611 CO -0.11 1.45 0.00 1.25 -1.30 0.00 0.00 177.93 179.23 1va3 h LEU 612 N 0.11 0.00 -0.13 0.26 7.12 -1.63 -1.67 115.31 119.37 1va3 h LEU 612 Ca -0.22 0.00 -0.21 0.00 0.13 0.00 0.00 57.88 57.58 1va3 h LEU 612 Cb 2.08 0.00 0.01 0.00 -0.53 0.00 0.00 40.66 42.22 1va3 h LEU 612 CO 0.23 0.00 -0.74 0.77 -0.13 0.00 0.00 178.44 178.57 1va3 h SER 613 N 0.00 0.86 0.62 1.25 4.64 -1.21 -3.01 113.55 116.71 1va3 h SER 613 Ca 0.00 -0.64 -0.18 0.00 -0.47 0.00 0.00 61.79 60.49 1va3 h SER 613 Cb 0.06 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1va3 h SER 613 CO 0.00 1.37 -0.83 0.50 -0.87 0.00 0.00 176.83 177.00 1va3 h LYS 614 N 0.42 0.15 -0.37 4.77 3.64 -1.46 -2.88 116.57 120.83 1va3 h LYS 614 Ca -0.06 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1va3 h LYS 614 Cb 1.37 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.22 1va3 h LYS 614 CO 0.15 0.89 0.24 1.25 -2.27 0.00 0.00 179.45 179.71 1va3 h HIS 615 N 0.08 0.47 -0.03 1.91 2.76 -1.44 -2.46 115.15 116.45 1va3 h HIS 615 Ca -0.03 0.01 -0.12 0.00 -2.20 0.00 0.00 60.37 58.02 1va3 h HIS 615 Cb 1.44 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.23 1va3 h HIS 615 CO 0.02 0.32 -0.54 0.82 -1.30 0.00 0.00 177.93 177.25 1va3 h ILE 616 N 0.49 1.38 -0.69 6.26 2.04 -1.57 -3.04 117.51 122.38 1va3 h ILE 616 Ca 0.13 -1.84 0.05 0.00 1.00 0.00 0.00 64.86 64.20 1va3 h ILE 616 Cb -0.03 1.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.96 1va3 h ILE 616 CO -0.03 0.53 0.41 0.11 0.00 0.00 0.00 178.15 179.17 1va3 h LYS 617 N 0.07 0.74 0.00 2.37 1.57 -1.22 -1.58 116.57 118.53 1va3 h LYS 617 Ca -0.00 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 1va3 h LYS 617 Cb 0.98 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1va3 h LYS 617 CO 0.08 0.49 -0.55 0.00 -0.57 0.00 0.00 179.45 178.90 1va3 h THR 618 N 0.77 1.37 -0.05 -0.16 1.03 -1.43 -2.92 112.91 111.53 1va3 h THR 618 Ca 0.29 -1.88 0.01 0.00 -0.01 0.00 0.00 66.41 64.83 1va3 h THR 618 Cb 0.12 2.02 -0.00 0.00 -1.07 0.00 0.00 68.15 69.22 1va3 h THR 618 CO -0.15 0.53 0.03 0.45 -0.01 0.00 0.00 175.52 176.38 1va3 h HIS 619 N 0.00 0.01 0.00 0.00 3.86 -1.18 -1.67 115.15 116.16 1va3 h HIS 619 Ca -0.01 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.97 1va3 h HIS 619 Cb 0.98 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1va3 h HIS 619 CO 0.00 0.00 -0.96 0.37 0.86 0.00 0.00 177.93 178.21 1va3 h GLN 620 N 0.01 0.44 -4.26 2.45 4.15 -1.32 -3.40 115.11 113.18 1va3 h GLN 620 Ca 0.02 -0.48 -0.74 0.00 0.77 0.00 0.00 58.65 58.22 1va3 h GLN 620 Cb 0.08 0.14 -0.23 0.00 0.21 0.00 0.00 27.48 27.68 1va3 h GLN 620 CO -0.00 1.13 -0.13 1.21 -1.93 0.00 0.00 178.83 179.11 1va3 s ASN 621 N -7.11 6.19 -0.14 -0.69 2.47 -0.63 -5.05 114.94 109.98 1va3 s ASN 621 Ca -0.06 -1.68 -0.05 0.00 0.42 0.00 0.00 52.86 51.49 1va3 s ASN 621 Cb 0.09 -2.23 -0.04 0.00 -1.45 0.00 0.00 41.25 37.61 1va3 s ASN 621 CO 0.87 -0.92 0.03 -0.75 -3.72 0.00 0.00 177.10 172.61 1va3 s LYS 622 N 1.90 3.60 0.00 0.43 2.20 -1.26 -4.85 119.74 121.75 1va3 s LYS 622 Ca 0.05 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.28 1va3 s LYS 622 Cb -0.28 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.01 1va3 s LYS 622 CO 0.04 0.43 0.45 1.17 -0.36 0.00 0.00 175.35 177.08