#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1va3 h LYS 596 N 0.00 0.00 -4.61 1.97 3.11 -1.99 -3.42 116.57 111.63 1va3 h LYS 596 Ca 0.00 0.00 -0.33 0.00 -2.81 0.00 0.00 60.65 57.51 1va3 h LYS 596 Cb 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 32.23 30.98 1va3 h LYS 596 CO 0.00 0.03 -0.76 -0.06 -2.81 0.00 0.00 179.45 175.85 1va3 s PHE 597 N -3.97 0.70 0.05 1.91 0.08 -1.26 -5.12 117.98 110.36 1va3 s PHE 597 Ca -0.02 -0.29 -0.27 0.00 0.12 0.00 0.00 56.93 56.46 1va3 s PHE 597 Cb 0.11 -0.43 0.07 0.00 -0.57 0.00 0.00 43.02 42.20 1va3 s PHE 597 CO 0.50 -0.03 0.64 0.00 -0.10 0.00 0.00 175.22 176.23 1va3 s ALA 598 N -0.72 -1.68 -0.11 5.36 0.00 -1.26 -3.65 121.76 119.70 1va3 s ALA 598 Ca -0.02 0.92 -0.18 0.00 0.00 0.00 0.00 51.96 52.67 1va3 s ALA 598 Cb -0.06 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.43 1va3 s ALA 598 CO 0.00 -0.56 0.49 0.00 0.00 0.00 0.00 175.76 175.70 1va3 h PRO 600 N 6.65 0.00 0.00 0.00 0.13 -2.00 -3.30 132.00 133.48 1va3 h PRO 600 Ca -0.41 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.55 1va3 h PRO 600 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1va3 h PRO 600 CO 0.75 0.38 -0.79 0.93 -0.23 0.00 0.00 178.00 179.04 1va3 h GLU 601 N 0.00 0.00 -4.98 0.86 4.39 -1.98 -3.47 114.58 109.41 1va3 h GLU 601 Ca -0.04 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.23 1va3 h GLU 601 Cb 1.36 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.87 1va3 h GLU 601 CO 0.05 0.79 -0.57 0.00 -1.16 0.00 0.00 179.01 178.11 1va3 n PRO 603 N -0.63 1.05 -1.72 0.00 -0.04 -1.26 -4.49 135.00 127.90 1va3 n PRO 603 Ca -0.01 -0.59 -0.35 0.00 -0.04 0.00 0.00 63.50 62.52 1va3 n PRO 603 Cb 0.66 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.69 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 -2.35 2.60 0.06 0.54 1.02 -1.26 -4.95 119.74 115.40 1va3 s LYS 604 Ca 0.29 1.69 0.07 0.00 0.02 0.00 0.00 55.97 58.05 1va3 s LYS 604 Cb 0.20 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.58 1va3 s LYS 604 CO 0.46 -1.46 -0.20 1.03 -0.92 0.00 0.00 175.35 174.25 1va3 s ARG 605 N -3.74 1.31 0.21 1.68 0.52 -1.26 -3.31 118.95 114.35 1va3 s ARG 605 Ca 0.74 -0.98 0.10 0.00 -0.52 0.00 0.00 55.73 55.06 1va3 s ARG 605 Cb -0.27 -1.45 -0.05 0.00 0.52 0.00 0.00 34.95 33.70 1va3 s ARG 605 CO 0.40 0.36 -0.19 -0.06 0.02 0.00 0.00 175.30 175.83 1va3 s PHE 606 N -0.89 2.00 -0.23 -0.53 0.40 -1.24 -5.02 117.98 112.48 1va3 s PHE 606 Ca 0.07 -0.44 0.13 0.00 -0.60 0.00 0.00 56.93 56.09 1va3 s PHE 606 Cb -0.09 -0.95 0.46 0.00 0.51 0.00 0.00 43.02 42.95 1va3 s PHE 606 CO 0.02 0.46 1.36 -1.33 0.70 0.00 0.00 175.22 176.43 1va3 n MET 607 N -0.06 1.92 -3.59 0.44 2.81 -1.26 -4.28 117.12 113.10 1va3 n MET 607 Ca -0.10 -3.04 -0.10 0.00 -1.81 0.00 0.00 57.70 52.65 1va3 n MET 607 Cb 0.58 -1.73 -0.06 0.00 -0.71 0.00 0.00 33.22 31.30 1va3 n MET 607 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 1va3 s ARG 608 N -3.10 0.58 -0.20 0.03 1.70 -1.26 -5.03 118.95 111.67 1va3 s ARG 608 Ca 0.41 0.25 0.10 0.00 -0.47 0.00 0.00 55.73 56.01 1va3 s ARG 608 Cb 0.37 0.27 0.63 0.00 -0.57 0.00 0.00 34.95 35.65 1va3 s ARG 608 CO 0.01 -0.16 1.49 -1.13 -1.08 0.00 0.00 175.30 174.43 1va3 n SER 609 N 1.07 4.57 -0.13 -2.89 3.41 -1.26 -3.82 113.62 114.57 1va3 n SER 609 Ca -0.11 -2.78 -0.24 0.00 -0.26 0.00 0.00 58.87 55.48 1va3 n SER 609 Cb 0.57 -0.66 -0.11 0.00 -0.26 0.00 0.00 64.21 63.75 1va3 n SER 609 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1va3 n ASP 610 N 0.36 1.97 0.05 4.04 9.92 -1.26 -4.41 116.55 127.22 1va3 n ASP 610 Ca 0.24 0.11 -0.07 0.00 -0.53 0.00 0.00 54.79 54.55 1va3 n ASP 610 Cb 1.03 -0.63 -0.12 0.00 -0.64 0.00 0.00 41.12 40.76 1va3 n ASP 610 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 1va3 h HIS 611 N -0.50 0.00 -0.00 1.24 3.86 -2.01 -3.25 115.15 114.48 1va3 h HIS 611 Ca -0.63 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.58 1va3 h HIS 611 Cb 1.75 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.22 1va3 h HIS 611 CO -0.02 0.97 0.03 -0.07 0.86 0.00 0.00 177.93 179.69 1va3 h LEU 612 N 0.00 0.00 -0.35 2.43 3.38 -1.79 -1.52 115.31 117.45 1va3 h LEU 612 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1va3 h LEU 612 Cb 1.80 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.54 1va3 h LEU 612 CO 0.12 0.00 -0.20 -1.28 0.09 0.00 0.00 178.44 177.17 1va3 h SER 613 N 0.00 0.78 0.62 -0.43 0.87 -1.76 0.32 113.55 113.95 1va3 h SER 613 Ca 0.00 -0.42 -0.18 0.00 -1.23 0.00 0.00 61.79 59.96 1va3 h SER 613 Cb 0.05 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 1va3 h SER 613 CO -0.00 1.03 -0.83 0.50 -0.53 0.00 0.00 176.83 177.00 1va3 h LYS 614 N 0.53 0.14 0.10 2.24 3.64 -1.49 -1.91 116.57 119.82 1va3 h LYS 614 Ca 0.07 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.30 1va3 h LYS 614 Cb 0.75 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1va3 h LYS 614 CO 0.06 0.89 -0.05 1.25 -2.27 0.00 0.00 179.45 179.33 1va3 h HIS 615 N 0.08 -0.13 0.00 1.91 2.76 -1.36 -3.11 115.15 115.30 1va3 h HIS 615 Ca -0.03 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 1va3 h HIS 615 Cb 1.44 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 30.43 1va3 h HIS 615 CO 0.02 0.38 -0.28 0.82 -1.30 0.00 0.00 177.93 177.56 1va3 h ILE 616 N -0.75 1.19 -0.41 6.26 2.04 -1.03 -2.69 117.51 122.12 1va3 h ILE 616 Ca -0.01 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1va3 h ILE 616 Cb 0.56 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1va3 h ILE 616 CO 0.02 0.28 0.25 0.11 0.00 0.00 0.00 178.15 178.81 1va3 h LYS 617 N 0.00 0.49 0.00 2.37 1.57 -1.38 -2.03 116.57 117.59 1va3 h LYS 617 Ca -0.00 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1va3 h LYS 617 Cb 0.50 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1va3 h LYS 617 CO 0.04 0.32 -0.44 0.00 -0.57 0.00 0.00 179.45 178.80 1va3 h THR 618 N 0.51 1.13 -0.23 -0.16 1.03 -1.44 0.00 112.91 113.75 1va3 h THR 618 Ca 0.16 -1.60 0.04 0.00 -0.01 0.00 0.00 66.41 65.00 1va3 h THR 618 Cb -0.01 1.91 -0.01 0.00 -1.07 0.00 0.00 68.15 68.97 1va3 h THR 618 CO -0.06 0.43 0.16 0.45 -0.01 0.00 0.00 175.52 176.48 1va3 h HIS 619 N 0.00 0.11 0.00 0.00 3.86 -1.05 -3.20 115.15 114.87 1va3 h HIS 619 Ca -0.00 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 58.78 1va3 h HIS 619 Cb 0.88 -0.04 -0.06 0.00 1.06 0.00 0.00 27.41 29.24 1va3 h HIS 619 CO 0.00 0.06 -2.42 1.04 0.86 0.00 0.00 177.93 177.47 1va3 n GLN 620 N -4.49 0.55 -2.66 2.45 6.02 -1.10 -5.09 117.38 113.05 1va3 n GLN 620 Ca 0.02 0.23 -0.03 0.00 -0.01 0.00 0.00 57.00 57.21 1va3 n GLN 620 Cb 0.22 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.05 1va3 n GLN 620 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1va3 n ASN 621 N -4.06 -4.56 -4.76 1.08 3.02 -0.03 -4.91 115.26 101.04 1va3 n ASN 621 Ca -0.50 1.40 -0.39 0.00 -0.03 0.00 0.00 54.58 55.06 1va3 n ASN 621 Cb 0.87 -5.33 0.02 0.00 -0.61 0.00 0.00 39.78 34.73 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1va3 s LYS 622 N -1.21 3.55 0.00 3.52 1.02 -1.26 -5.10 119.74 120.25 1va3 s LYS 622 Ca -0.13 2.32 0.00 0.00 0.02 0.00 0.00 55.97 58.18 1va3 s LYS 622 Cb 0.01 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.78 1va3 s LYS 622 CO 0.80 -0.90 0.00 1.17 -0.92 0.00 0.00 175.35 175.50