#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 3.40 -3.68 1.64 5.02 -1.26 -4.50 118.16 118.78 1va3 n LYS 596 Ca 0.00 -3.70 -0.15 0.00 -2.02 0.00 0.00 58.31 52.45 1va3 n LYS 596 Cb 0.00 -3.06 -0.14 0.00 -0.02 0.00 0.00 35.03 31.81 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1va3 s PHE 597 N 1.54 -0.28 0.35 2.13 0.08 -1.26 -5.04 117.98 115.51 1va3 s PHE 597 Ca 0.43 0.75 0.02 0.00 0.12 0.00 0.00 56.93 58.25 1va3 s PHE 597 Cb 0.01 -0.12 -0.01 0.00 -0.57 0.00 0.00 43.02 42.33 1va3 s PHE 597 CO 0.01 -0.29 0.42 0.00 -0.10 0.00 0.00 175.22 175.26 1va3 n ALA 598 N 5.09 0.07 -3.09 5.36 0.00 -1.26 -3.10 120.51 123.58 1va3 n ALA 598 Ca -0.10 -1.80 -0.35 0.00 0.00 0.00 0.00 53.44 51.19 1va3 n ALA 598 Cb 0.50 1.46 -0.13 0.00 0.00 0.00 0.00 19.45 21.28 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 7.35 0.00 0.00 0.00 0.13 -2.00 -3.26 132.00 134.22 1va3 h PRO 600 Ca -0.35 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.72 1va3 h PRO 600 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1va3 h PRO 600 CO 0.61 0.76 -0.26 0.93 -0.23 0.00 0.00 178.00 179.81 1va3 h GLU 601 N 0.00 0.00 -4.95 0.86 5.08 -1.98 -3.45 114.58 110.14 1va3 h GLU 601 Ca -0.02 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.87 1va3 h GLU 601 Cb 1.60 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.71 1va3 h GLU 601 CO 0.10 0.26 -0.54 0.00 -1.00 0.00 0.00 179.01 177.84 1va3 n PRO 603 N -0.70 0.15 -1.77 0.00 -0.04 -1.26 -4.64 135.00 126.74 1va3 n PRO 603 Ca -0.00 -0.08 -0.37 0.00 -0.04 0.00 0.00 63.50 63.00 1va3 n PRO 603 Cb 0.65 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.67 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 -2.91 2.60 0.01 0.54 3.01 -1.26 -4.97 119.74 116.76 1va3 s LYS 604 Ca 0.14 2.04 0.04 0.00 -1.01 0.00 0.00 55.97 57.18 1va3 s LYS 604 Cb 0.18 -1.86 -0.01 0.00 -1.01 0.00 0.00 37.83 35.13 1va3 s LYS 604 CO 0.66 -1.56 -0.12 1.03 0.51 0.00 0.00 175.35 175.88 1va3 s ARG 605 N -3.37 0.88 0.51 1.68 0.52 -1.26 -3.54 118.95 114.37 1va3 s ARG 605 Ca 0.82 -0.54 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 1va3 s ARG 605 Cb -0.37 -0.85 -0.01 0.00 0.52 0.00 0.00 34.95 34.24 1va3 s ARG 605 CO 0.39 0.22 0.11 -0.06 0.02 0.00 0.00 175.30 175.98 1va3 s PHE 606 N -0.54 1.90 -0.18 -0.53 0.40 -1.18 -5.03 117.98 112.83 1va3 s PHE 606 Ca 0.02 -0.89 0.13 0.00 -0.60 0.00 0.00 56.93 55.60 1va3 s PHE 606 Cb -0.06 -1.71 0.42 0.00 0.51 0.00 0.00 43.02 42.18 1va3 s PHE 606 CO 0.00 0.08 1.21 -0.12 0.70 0.00 0.00 175.22 177.09 1va3 n MET 607 N -1.36 1.34 -3.84 0.44 1.56 -1.26 -4.54 117.12 109.45 1va3 n MET 607 Ca -0.13 -3.10 0.01 0.00 -0.27 0.00 0.00 57.70 54.21 1va3 n MET 607 Cb 0.66 -1.36 0.01 0.00 2.15 0.00 0.00 33.22 34.68 1va3 n MET 607 CO 0.00 0.00 0.00 -2.13 -0.73 0.00 0.00 175.97 173.11 1va3 n ARG 608 N -0.86 0.28 -0.02 2.12 0.63 -1.26 -3.34 116.66 114.21 1va3 n ARG 608 Ca 0.17 -0.90 0.02 0.00 -0.92 0.00 0.00 57.85 56.22 1va3 n ARG 608 Cb 0.76 1.38 -0.08 0.00 0.45 0.00 0.00 32.46 34.98 1va3 n ARG 608 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1va3 n SER 609 N -1.09 2.70 -0.12 6.15 2.88 -1.26 -4.04 113.62 118.84 1va3 n SER 609 Ca 0.03 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.52 1va3 n SER 609 Cb 0.55 1.23 0.03 0.00 -0.75 0.00 0.00 64.21 65.27 1va3 n SER 609 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1va3 h ASP 610 N 0.00 0.08 0.43 -3.46 3.58 -2.00 -0.21 116.42 114.83 1va3 h ASP 610 Ca -0.08 0.06 -0.31 0.00 0.42 0.00 0.00 57.03 57.12 1va3 h ASP 610 Cb 0.81 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.91 1va3 h ASP 610 CO 0.00 0.08 -1.56 0.45 -2.88 0.00 0.00 179.24 175.34 1va3 h HIS 611 N 0.26 0.47 0.00 0.28 3.86 -2.00 -3.29 115.15 114.72 1va3 h HIS 611 Ca 0.19 -0.34 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1va3 h HIS 611 Cb 0.21 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.66 1va3 h HIS 611 CO -0.18 1.40 0.00 1.25 0.86 0.00 0.00 177.93 181.27 1va3 h LEU 612 N 0.07 0.00 0.05 2.43 7.12 -1.65 -1.66 115.31 121.67 1va3 h LEU 612 Ca -0.25 0.00 -0.24 0.00 0.13 0.00 0.00 57.88 57.52 1va3 h LEU 612 Cb 2.02 0.00 0.02 0.00 -0.53 0.00 0.00 40.66 42.17 1va3 h LEU 612 CO 0.16 0.00 -0.97 -1.28 -0.13 0.00 0.00 178.44 176.22 1va3 h SER 613 N 0.00 0.77 0.63 1.25 0.87 -1.10 -3.08 113.55 112.89 1va3 h SER 613 Ca 0.00 -0.79 -0.19 0.00 -1.23 0.00 0.00 61.79 59.59 1va3 h SER 613 Cb 0.09 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1va3 h SER 613 CO 0.00 1.47 -0.84 0.50 -0.53 0.00 0.00 176.83 177.43 1va3 h LYS 614 N 0.17 0.15 -0.42 2.24 1.63 -1.51 -3.05 116.57 115.78 1va3 h LYS 614 Ca -0.14 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1va3 h LYS 614 Cb 1.66 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 33.31 1va3 h LYS 614 CO 0.19 0.90 0.24 1.25 -3.45 0.00 0.00 179.45 178.58 1va3 h HIS 615 N 0.08 0.56 0.00 1.91 2.76 -1.40 -2.43 115.15 116.63 1va3 h HIS 615 Ca -0.03 -0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.04 1va3 h HIS 615 Cb 1.45 -0.18 -0.01 0.00 1.55 0.00 0.00 27.41 30.22 1va3 h HIS 615 CO 0.02 0.41 -0.43 0.82 -1.30 0.00 0.00 177.93 177.45 1va3 h ILE 616 N 0.55 1.31 -0.30 6.26 2.04 -1.58 -2.79 117.51 122.98 1va3 h ILE 616 Ca 0.15 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.50 1va3 h ILE 616 Cb 0.02 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.89 1va3 h ILE 616 CO -0.03 0.42 0.10 0.11 0.00 0.00 0.00 178.15 178.75 1va3 h LYS 617 N 0.00 0.43 -0.00 2.37 1.57 -1.32 -1.95 116.57 117.66 1va3 h LYS 617 Ca -0.00 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.55 1va3 h LYS 617 Cb 0.77 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 1va3 h LYS 617 CO 0.06 0.38 -0.81 1.79 -0.57 0.00 0.00 179.45 180.30 1va3 h THR 618 N 0.43 1.54 -0.28 -0.16 1.35 -1.27 -3.16 112.91 111.35 1va3 h THR 618 Ca 0.11 -2.65 -0.04 0.00 -0.55 0.00 0.00 66.41 63.28 1va3 h THR 618 Cb 0.13 2.44 -0.02 0.00 -1.73 0.00 0.00 68.15 68.98 1va3 h THR 618 CO -0.01 0.76 0.01 0.45 -0.25 0.00 0.00 175.52 176.48 1va3 h HIS 619 N 0.04 0.43 -3.24 4.73 3.86 -1.27 -3.41 115.15 116.29 1va3 h HIS 619 Ca -0.02 -0.03 -0.57 0.00 -1.16 0.00 0.00 60.37 58.59 1va3 h HIS 619 Cb 1.42 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.71 1va3 h HIS 619 CO 0.01 0.43 0.56 -0.65 0.86 0.00 0.00 177.93 179.14 1va3 s GLN 620 N -4.99 4.36 0.09 2.45 1.11 -1.10 -5.03 119.66 116.54 1va3 s GLN 620 Ca -0.07 1.28 -0.03 0.00 0.01 0.00 0.00 55.36 56.55 1va3 s GLN 620 Cb 0.16 -3.57 -0.03 0.00 -1.01 0.00 0.00 33.01 28.56 1va3 s GLN 620 CO 0.75 -0.37 0.07 1.21 0.01 0.00 0.00 175.29 176.95 1va3 s ASN 621 N 1.13 0.32 0.04 5.90 2.47 -1.26 -4.98 114.94 118.56 1va3 s ASN 621 Ca 0.45 -0.96 0.00 0.00 0.42 0.00 0.00 52.86 52.77 1va3 s ASN 621 Cb -0.17 0.28 -0.04 0.00 -1.45 0.00 0.00 41.25 39.86 1va3 s ASN 621 CO 0.14 -0.69 0.14 -1.59 -3.72 0.00 0.00 177.10 171.38 1va3 s LYS 622 N -3.94 3.19 0.00 0.43 -2.85 -1.26 -5.24 119.74 110.06 1va3 s LYS 622 Ca 0.11 -0.51 0.00 0.00 -1.00 0.00 0.00 55.97 54.58 1va3 s LYS 622 Cb 0.07 -2.91 0.00 0.00 -2.06 0.00 0.00 37.83 32.92 1va3 s LYS 622 CO -0.07 0.62 0.00 1.63 0.10 0.00 0.00 175.35 177.63