#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 2.42 -3.75 1.64 4.81 -1.26 -4.84 118.16 117.18 1va3 n LYS 596 Ca 0.00 -2.71 -0.26 0.00 -0.87 0.00 0.00 58.31 54.47 1va3 n LYS 596 Cb 0.00 -2.08 -0.17 0.00 0.02 0.00 0.00 35.03 32.80 1va3 n LYS 596 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 1va3 s PHE 597 N -2.97 0.88 0.22 5.64 0.08 -1.26 -5.11 117.98 115.47 1va3 s PHE 597 Ca 0.52 -0.59 -0.04 0.00 0.12 0.00 0.00 56.93 56.95 1va3 s PHE 597 Cb 0.40 -0.94 0.01 0.00 -0.57 0.00 0.00 43.02 41.93 1va3 s PHE 597 CO -0.13 -0.50 0.35 0.00 -0.10 0.00 0.00 175.22 174.84 1va3 n ALA 598 N 5.09 -0.48 -2.59 5.36 0.00 -1.26 -2.10 120.51 124.53 1va3 n ALA 598 Ca -0.08 -0.91 -0.32 0.00 0.00 0.00 0.00 53.44 52.13 1va3 n ALA 598 Cb 0.48 0.73 -0.15 0.00 0.00 0.00 0.00 19.45 20.51 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 5.76 0.00 0.00 0.00 0.13 -2.00 -3.31 132.00 132.57 1va3 h PRO 600 Ca -0.39 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.58 1va3 h PRO 600 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 1va3 h PRO 600 CO 0.49 0.39 -0.79 0.93 -0.23 0.00 0.00 178.00 178.80 1va3 h GLU 601 N 0.00 0.00 -4.97 0.86 5.08 -1.98 -3.47 114.58 110.10 1va3 h GLU 601 Ca -0.05 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.88 1va3 h GLU 601 Cb 1.41 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.52 1va3 h GLU 601 CO 0.05 0.79 -0.58 0.00 -1.00 0.00 0.00 179.01 178.27 1va3 n PRO 603 N -0.61 0.66 -1.98 0.00 -0.04 -1.26 -4.40 135.00 127.37 1va3 n PRO 603 Ca -0.01 -0.38 -0.39 0.00 -0.04 0.00 0.00 63.50 62.67 1va3 n PRO 603 Cb 0.66 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.63 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 -2.61 3.80 0.03 0.54 -0.14 -1.26 -4.91 119.74 115.20 1va3 s LYS 604 Ca 0.22 2.21 0.07 0.00 -1.36 0.00 0.00 55.97 57.11 1va3 s LYS 604 Cb 0.19 -2.66 -0.02 0.00 -1.68 0.00 0.00 37.83 33.66 1va3 s LYS 604 CO 0.56 -0.65 -0.21 1.03 -0.76 0.00 0.00 175.35 175.31 1va3 s ARG 605 N -2.39 1.48 0.10 1.68 0.52 -1.26 -3.03 118.95 116.05 1va3 s ARG 605 Ca 0.60 -0.93 0.10 0.00 -0.52 0.00 0.00 55.73 54.98 1va3 s ARG 605 Cb -0.39 -1.58 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 1va3 s ARG 605 CO 0.50 0.41 -0.26 -0.06 0.02 0.00 0.00 175.30 175.91 1va3 s PHE 606 N -0.76 2.33 -0.38 -0.53 0.40 -0.89 -5.01 117.98 113.15 1va3 s PHE 606 Ca 0.08 -0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1va3 s PHE 606 Cb -0.09 -1.30 0.61 0.00 0.51 0.00 0.00 43.02 42.75 1va3 s PHE 606 CO 0.01 0.28 1.73 -1.33 0.70 0.00 0.00 175.22 176.62 1va3 n MET 607 N 1.16 2.66 -3.67 0.44 2.81 -1.26 -4.24 117.12 115.01 1va3 n MET 607 Ca -0.17 -2.60 -0.07 0.00 -1.81 0.00 0.00 57.70 53.04 1va3 n MET 607 Cb 0.53 -2.05 0.03 0.00 -0.71 0.00 0.00 33.22 31.02 1va3 n MET 607 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1va3 n ARG 608 N -0.53 0.96 -0.03 0.03 5.12 -1.26 -5.07 116.66 115.88 1va3 n ARG 608 Ca 0.44 -1.93 -0.03 0.00 -1.93 0.00 0.00 57.85 54.40 1va3 n ARG 608 Cb 1.39 2.45 -0.04 0.00 -1.16 0.00 0.00 32.46 35.10 1va3 n ARG 608 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1va3 n SER 609 N -1.44 3.69 -0.09 0.55 3.41 -1.26 -4.21 113.62 114.27 1va3 n SER 609 Ca -0.07 -0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.45 1va3 n SER 609 Cb 0.56 0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 65.06 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 0.35 0.33 4.04 2.03 -2.00 -1.86 116.42 119.31 1va3 h ASP 610 Ca -0.14 -0.04 -0.25 0.00 -0.73 0.00 0.00 57.03 55.86 1va3 h ASP 610 Cb 1.32 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 39.74 1va3 h ASP 610 CO 0.01 0.29 -1.05 0.45 -1.03 0.00 0.00 179.24 177.91 1va3 h HIS 611 N 0.38 0.69 0.00 4.15 3.86 -2.00 -3.11 115.15 119.13 1va3 h HIS 611 Ca 0.11 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 1va3 h HIS 611 Cb 0.00 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1va3 h HIS 611 CO -0.04 1.25 0.00 1.25 0.86 0.00 0.00 177.93 181.24 1va3 h LEU 612 N 0.23 0.00 -0.02 2.43 6.46 -1.70 -2.05 115.31 120.66 1va3 h LEU 612 Ca -0.11 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.39 1va3 h LEU 612 Cb 1.71 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.66 1va3 h LEU 612 CO 0.19 0.00 -1.04 0.28 -0.62 0.00 0.00 178.44 177.25 1va3 h SER 613 N 0.00 0.86 0.54 1.25 0.02 -1.26 -2.89 113.55 112.07 1va3 h SER 613 Ca 0.00 -0.69 -0.16 0.00 -0.84 0.00 0.00 61.79 60.10 1va3 h SER 613 Cb 0.14 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1va3 h SER 613 CO 0.00 1.49 -0.72 0.11 -1.14 0.00 0.00 176.83 176.57 1va3 h LYS 614 N 0.37 0.15 -0.32 3.45 6.56 -1.49 -2.48 116.57 122.80 1va3 h LYS 614 Ca -0.12 -0.13 -0.04 0.00 -1.06 0.00 0.00 60.65 59.29 1va3 h LYS 614 Cb 1.69 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 33.37 1va3 h LYS 614 CO 0.20 0.81 0.03 1.25 -2.06 0.00 0.00 179.45 179.67 1va3 h HIS 615 N 0.10 0.60 -0.06 -1.35 2.76 -1.52 -2.92 115.15 112.76 1va3 h HIS 615 Ca -0.02 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 57.93 1va3 h HIS 615 Cb 1.28 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 30.06 1va3 h HIS 615 CO 0.02 0.65 -0.53 0.82 -1.30 0.00 0.00 177.93 177.59 1va3 h ILE 616 N 0.37 1.37 0.00 6.26 2.04 -1.53 -2.88 117.51 123.14 1va3 h ILE 616 Ca 0.10 -1.81 -0.02 0.00 1.00 0.00 0.00 64.86 64.13 1va3 h ILE 616 Cb 0.40 1.91 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1va3 h ILE 616 CO 0.01 0.53 -0.07 0.11 0.00 0.00 0.00 178.15 178.73 1va3 h LYS 617 N 0.12 0.00 0.01 2.37 1.57 -1.28 -1.61 116.57 117.75 1va3 h LYS 617 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1va3 h LYS 617 Cb 0.98 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 1va3 h LYS 617 CO 0.08 0.07 -1.00 1.79 -0.57 0.00 0.00 179.45 179.82 1va3 h THR 618 N 0.00 1.68 0.00 -0.16 1.35 -1.33 -3.21 112.91 111.24 1va3 h THR 618 Ca -0.00 -3.33 -0.00 0.00 -0.55 0.00 0.00 66.41 62.53 1va3 h THR 618 Cb 0.13 2.82 -0.00 0.00 -1.73 0.00 0.00 68.15 69.38 1va3 h THR 618 CO 0.01 0.95 -0.01 0.45 -0.25 0.00 0.00 175.52 176.67 1va3 h HIS 619 N 0.01 0.00 0.00 4.73 3.86 -1.20 -3.18 115.15 119.36 1va3 h HIS 619 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1va3 h HIS 619 Cb 1.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.23 1va3 h HIS 619 CO 0.01 0.01 0.00 1.04 0.86 0.00 0.00 177.93 179.85 1va3 n GLN 620 N -3.76 0.00 0.00 2.45 6.02 -1.19 -4.91 117.38 115.99 1va3 n GLN 620 Ca -0.03 0.44 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1va3 n GLN 620 Cb 0.10 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.96 1va3 n GLN 620 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1va3 n ASN 621 N -1.76 -0.00 -4.55 1.08 0.23 -1.20 -5.05 115.26 104.01 1va3 n ASN 621 Ca 0.00 0.00 -0.38 0.00 -0.53 0.00 0.00 54.58 53.67 1va3 n ASN 621 Cb 0.00 0.29 -0.03 0.00 -2.08 0.00 0.00 39.78 37.96 1va3 n ASN 621 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1va3 s LYS 622 N -2.00 2.56 0.00 -3.83 2.47 -1.25 -5.06 119.74 112.63 1va3 s LYS 622 Ca 0.00 0.69 0.01 0.00 -1.56 0.00 0.00 55.97 55.11 1va3 s LYS 622 Cb 0.00 -4.42 0.00 0.00 -1.46 0.00 0.00 37.83 31.95 1va3 s LYS 622 CO 0.00 -2.81 0.52 0.36 0.16 0.00 0.00 175.35 173.58