#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va3 s LYS 596 N 0.00 3.11 0.01 -1.58 1.02 -1.26 -4.81 119.74 116.23 1va3 s LYS 596 Ca 0.00 -1.43 -0.24 0.00 0.02 0.00 0.00 55.97 54.32 1va3 s LYS 596 Cb 0.00 -5.35 -0.05 0.00 -0.52 0.00 0.00 37.83 31.91 1va3 s LYS 596 CO 0.00 -3.22 0.74 -0.06 -0.92 0.00 0.00 175.35 171.89 1va3 s PHE 597 N 8.12 3.69 0.30 3.18 0.08 -1.21 -5.02 117.98 127.12 1va3 s PHE 597 Ca 0.62 1.39 -0.02 0.00 0.12 0.00 0.00 56.93 59.05 1va3 s PHE 597 Cb 0.01 -2.80 0.01 0.00 -0.57 0.00 0.00 43.02 39.66 1va3 s PHE 597 CO 0.09 0.22 0.42 0.00 -0.10 0.00 0.00 175.22 175.86 1va3 n ALA 598 N 3.09 -0.29 -2.60 5.36 0.00 -1.26 -0.29 120.51 124.51 1va3 n ALA 598 Ca -0.02 -1.39 -0.34 0.00 0.00 0.00 0.00 53.44 51.69 1va3 n ALA 598 Cb 0.51 1.12 -0.11 0.00 0.00 0.00 0.00 19.45 20.96 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 5.35 0.00 0.00 0.00 0.13 -2.00 -3.29 132.00 132.18 1va3 h PRO 600 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1va3 h PRO 600 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1va3 h PRO 600 CO 0.53 0.04 -1.23 0.93 -0.23 0.00 0.00 178.00 178.04 1va3 h GLU 601 N 0.00 0.00 -5.03 0.86 5.08 -1.98 -3.48 114.58 110.04 1va3 h GLU 601 Ca -0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 59.36 57.92 1va3 h GLU 601 Cb 1.04 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.15 1va3 h GLU 601 CO 0.01 0.44 -0.59 0.00 -1.00 0.00 0.00 179.01 177.87 1va3 n PRO 603 N -0.64 0.54 -1.46 0.00 -0.04 -1.26 -4.33 135.00 127.83 1va3 n PRO 603 Ca -0.02 -0.31 -0.34 0.00 -0.04 0.00 0.00 63.50 62.80 1va3 n PRO 603 Cb 0.66 -1.49 0.09 0.00 -0.04 0.00 0.00 33.50 32.72 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 -2.67 2.18 0.05 0.54 1.02 -1.26 -4.89 119.74 114.72 1va3 s LYS 604 Ca 0.20 1.74 0.05 0.00 0.02 0.00 0.00 55.97 57.98 1va3 s LYS 604 Cb 0.19 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.63 1va3 s LYS 604 CO 0.57 -1.80 -0.15 1.03 -0.92 0.00 0.00 175.35 174.09 1va3 s ARG 605 N -3.92 0.91 -0.06 1.68 0.52 -1.26 -2.83 118.95 113.99 1va3 s ARG 605 Ca 0.74 -0.86 0.05 0.00 -0.52 0.00 0.00 55.73 55.14 1va3 s ARG 605 Cb -0.29 -0.93 -0.00 0.00 0.52 0.00 0.00 34.95 34.25 1va3 s ARG 605 CO 0.45 0.22 -0.21 -0.06 0.02 0.00 0.00 175.30 175.72 1va3 s PHE 606 N -1.02 2.13 -0.68 -0.53 0.40 0.60 -4.97 117.98 113.91 1va3 s PHE 606 Ca 0.01 -0.70 0.23 0.00 -0.60 0.00 0.00 56.93 55.87 1va3 s PHE 606 Cb -0.09 -1.43 0.90 0.00 0.51 0.00 0.00 43.02 42.91 1va3 s PHE 606 CO 0.02 -0.25 1.69 -1.33 0.70 0.00 0.00 175.22 176.05 1va3 n MET 607 N 3.20 0.15 -4.53 0.44 2.81 -1.26 -3.31 117.12 114.62 1va3 n MET 607 Ca -0.18 0.31 -0.26 0.00 -1.81 0.00 0.00 57.70 55.76 1va3 n MET 607 Cb 0.52 -1.75 -0.08 0.00 -0.71 0.00 0.00 33.22 31.20 1va3 n MET 607 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1va3 s ARG 608 N -3.19 1.92 -0.01 0.03 0.52 -1.26 -4.65 118.95 112.31 1va3 s ARG 608 Ca 0.07 -2.16 0.02 0.00 -0.52 0.00 0.00 55.73 53.13 1va3 s ARG 608 Cb 0.11 -0.73 0.03 0.00 0.52 0.00 0.00 34.95 34.87 1va3 s ARG 608 CO 0.42 -0.43 0.97 0.45 0.02 0.00 0.00 175.30 176.73 1va3 n SER 609 N -1.22 1.82 -0.09 0.23 2.88 -1.26 -4.52 113.62 111.47 1va3 n SER 609 Ca -0.07 -2.01 -0.23 0.00 -1.33 0.00 0.00 58.87 55.24 1va3 n SER 609 Cb 0.65 -0.04 -0.12 0.00 -0.75 0.00 0.00 64.21 63.95 1va3 n SER 609 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1va3 n ASP 610 N -0.53 1.93 0.12 -3.46 -0.08 -1.26 -4.31 116.55 108.96 1va3 n ASP 610 Ca 0.01 0.35 -0.01 0.00 -1.51 0.00 0.00 54.79 53.63 1va3 n ASP 610 Cb 0.32 -0.91 0.09 0.00 2.34 0.00 0.00 41.12 42.96 1va3 n ASP 610 CO 0.00 0.00 0.00 -0.74 0.12 0.00 0.00 177.20 176.58 1va3 h HIS 611 N -0.74 0.00 -0.21 -0.67 2.76 -2.03 -3.11 115.15 111.15 1va3 h HIS 611 Ca -0.41 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 57.82 1va3 h HIS 611 Cb 1.52 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.47 1va3 h HIS 611 CO 0.07 0.67 0.28 -0.07 -1.30 0.00 0.00 177.93 177.59 1va3 h LEU 612 N 0.00 0.00 -0.99 0.26 3.38 -1.79 0.45 115.31 116.61 1va3 h LEU 612 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1va3 h LEU 612 Cb 1.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.03 1va3 h LEU 612 CO 0.09 0.00 0.03 -1.28 0.09 0.00 0.00 178.44 177.37 1va3 h SER 613 N 0.00 0.72 0.34 -0.43 0.87 -1.73 0.20 113.55 113.53 1va3 h SER 613 Ca 0.10 -0.16 -0.22 0.00 -1.23 0.00 0.00 61.79 60.28 1va3 h SER 613 Cb 0.67 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1va3 h SER 613 CO -0.00 0.77 -0.91 0.50 -0.53 0.00 0.00 176.83 176.66 1va3 h LYS 614 N 0.72 0.39 -0.07 2.24 3.64 -1.11 -2.20 116.57 120.18 1va3 h LYS 614 Ca 0.15 -0.41 -0.14 0.00 -1.27 0.00 0.00 60.65 58.98 1va3 h LYS 614 Cb 0.40 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1va3 h LYS 614 CO 0.01 1.08 -0.50 1.25 -2.27 0.00 0.00 179.45 179.02 1va3 h HIS 615 N 0.23 0.63 -0.42 1.91 2.76 -1.28 -3.04 115.15 115.94 1va3 h HIS 615 Ca -0.07 -0.30 -0.11 0.00 -2.20 0.00 0.00 60.37 57.70 1va3 h HIS 615 Cb 1.54 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 30.40 1va3 h HIS 615 CO 0.06 1.08 -0.16 0.82 -1.30 0.00 0.00 177.93 178.43 1va3 h ILE 616 N 0.01 1.28 -0.17 6.26 2.04 -0.69 -2.82 117.51 123.41 1va3 h ILE 616 Ca -0.04 -1.29 -0.00 0.00 1.00 0.00 0.00 64.86 64.53 1va3 h ILE 616 Cb 1.16 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1va3 h ILE 616 CO 0.10 0.44 0.09 0.07 0.00 0.00 0.00 178.15 178.84 1va3 h LYS 617 N 0.68 0.23 -0.00 2.37 2.10 -1.48 -1.31 116.57 119.16 1va3 h LYS 617 Ca 0.10 -0.02 -0.14 0.00 -2.00 0.00 0.00 60.65 58.59 1va3 h LYS 617 Cb 0.71 -0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.97 1va3 h LYS 617 CO 0.05 0.18 -0.66 1.79 -2.00 0.00 0.00 179.45 178.81 1va3 h THR 618 N 0.24 1.47 -0.02 0.07 1.35 -1.39 -3.04 112.91 111.60 1va3 h THR 618 Ca 0.06 -2.26 0.01 0.00 -0.55 0.00 0.00 66.41 63.67 1va3 h THR 618 Cb 0.02 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1va3 h THR 618 CO -0.01 0.65 0.01 0.45 -0.25 0.00 0.00 175.52 176.37 1va3 h HIS 619 N 0.01 0.00 -4.31 4.73 3.86 -0.99 -3.43 115.15 115.02 1va3 h HIS 619 Ca -0.01 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.69 1va3 h HIS 619 Cb 1.18 0.00 0.13 0.00 1.06 0.00 0.00 27.41 29.77 1va3 h HIS 619 CO 0.00 0.00 0.32 -0.65 0.86 0.00 0.00 177.93 178.47 1va3 s GLN 620 N -5.05 2.33 -0.00 2.45 -1.52 -1.15 -4.69 119.66 112.02 1va3 s GLN 620 Ca -0.05 1.17 -0.01 0.00 -1.95 0.00 0.00 55.36 54.51 1va3 s GLN 620 Cb 0.17 -1.91 0.01 0.00 -0.22 0.00 0.00 33.01 31.06 1va3 s GLN 620 CO 0.67 -1.59 0.03 0.09 -0.25 0.00 0.00 175.29 174.24 1va3 n ASN 621 N -3.44 -8.48 -4.43 5.90 3.02 -1.26 -4.88 115.26 101.70 1va3 n ASN 621 Ca 0.09 1.79 -0.44 0.00 -0.03 0.00 0.00 54.58 56.00 1va3 n ASN 621 Cb 0.53 -5.18 -0.04 0.00 -0.61 0.00 0.00 39.78 34.47 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1va3 s LYS 622 N -0.65 3.10 0.00 3.52 2.20 -1.26 -5.09 119.74 121.56 1va3 s LYS 622 Ca -0.03 -0.99 0.23 0.00 -0.36 0.00 0.00 55.97 54.81 1va3 s LYS 622 Cb 0.00 -4.21 1.37 0.00 -1.51 0.00 0.00 37.83 33.48 1va3 s LYS 622 CO 0.09 -1.60 1.74 1.17 -0.36 0.00 0.00 175.35 176.39