#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 0.34 -2.79 1.64 4.76 -1.26 -4.88 118.16 115.97 1va3 n LYS 596 Ca 0.00 0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.42 1va3 n LYS 596 Cb 0.00 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 31.57 1va3 n LYS 596 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1va3 n PHE 597 N -2.07 -3.72 -3.18 2.13 3.72 -1.26 -1.43 117.46 111.65 1va3 n PHE 597 Ca 0.02 1.60 -0.40 0.00 -0.05 0.00 0.00 57.45 58.62 1va3 n PHE 597 Cb 0.45 -3.93 -0.07 0.00 -0.94 0.00 0.00 39.48 34.99 1va3 n PHE 597 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1va3 s ALA 598 N -1.93 3.57 0.37 4.37 0.00 -1.26 -2.19 121.76 124.69 1va3 s ALA 598 Ca 0.09 -0.61 -0.27 0.00 0.00 0.00 0.00 51.96 51.17 1va3 s ALA 598 Cb -0.02 -2.97 -0.12 0.00 0.00 0.00 0.00 23.12 20.01 1va3 s ALA 598 CO 0.76 -0.86 1.24 0.00 0.00 0.00 0.00 175.76 176.89 1va3 h PRO 600 N 2.28 0.00 0.00 0.00 0.13 -1.96 -3.30 132.00 129.15 1va3 h PRO 600 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.44 1va3 h PRO 600 Cb 1.30 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.38 1va3 h PRO 600 CO 0.61 0.16 -2.16 0.39 -0.23 0.00 0.00 178.00 176.77 1va3 n GLU 601 N -3.15 0.67 -4.38 0.86 -0.58 -1.26 -5.01 120.64 107.78 1va3 n GLU 601 Ca 0.03 -0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.53 1va3 n GLU 601 Cb 0.58 -1.55 -0.09 0.00 -0.57 0.00 0.00 31.44 29.80 1va3 n GLU 601 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1va3 n PRO 603 N -0.67 1.42 -0.66 0.00 -0.04 -1.26 -3.72 135.00 130.07 1va3 n PRO 603 Ca -0.01 -0.88 -0.31 0.00 -0.04 0.00 0.00 63.50 62.27 1va3 n PRO 603 Cb 0.65 -1.48 0.18 0.00 -0.04 0.00 0.00 33.50 32.81 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 -2.18 0.69 0.03 0.54 -0.14 -1.26 -4.74 119.74 112.69 1va3 s LYS 604 Ca 0.32 1.45 0.02 0.00 -1.36 0.00 0.00 55.97 56.40 1va3 s LYS 604 Cb 0.20 -1.70 -0.02 0.00 -1.68 0.00 0.00 37.83 34.63 1va3 s LYS 604 CO 0.40 -2.82 -0.07 1.03 -0.76 0.00 0.00 175.35 173.13 1va3 s ARG 605 N -4.62 0.51 0.30 1.68 0.52 -1.26 -2.01 118.95 114.08 1va3 s ARG 605 Ca 0.67 -0.66 0.08 0.00 -0.52 0.00 0.00 55.73 55.29 1va3 s ARG 605 Cb -0.23 -0.32 -0.06 0.00 0.52 0.00 0.00 34.95 34.86 1va3 s ARG 605 CO 0.59 0.06 -0.07 -0.06 0.02 0.00 0.00 175.30 175.84 1va3 s PHE 606 N -1.16 2.12 -0.29 -0.53 0.40 -0.51 -5.02 117.98 112.98 1va3 s PHE 606 Ca -0.08 -0.62 0.14 0.00 -0.60 0.00 0.00 56.93 55.76 1va3 s PHE 606 Cb -0.09 -1.21 0.34 0.00 0.51 0.00 0.00 43.02 42.58 1va3 s PHE 606 CO 0.00 0.39 1.25 -1.33 0.70 0.00 0.00 175.22 176.24 1va3 n MET 607 N -0.66 2.50 -3.57 0.44 2.81 -1.26 -3.98 117.12 113.39 1va3 n MET 607 Ca -0.05 -2.41 -0.17 0.00 -1.81 0.00 0.00 57.70 53.26 1va3 n MET 607 Cb 0.63 -1.51 -0.07 0.00 -0.71 0.00 0.00 33.22 31.57 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 -2.19 0.97 -0.30 0.03 1.81 -1.26 -5.04 118.95 112.97 1va3 s ARG 608 Ca 0.29 0.38 0.08 0.00 -1.72 0.00 0.00 55.73 54.76 1va3 s ARG 608 Cb 0.23 0.46 0.66 0.00 -0.45 0.00 0.00 34.95 35.85 1va3 s ARG 608 CO 0.07 -0.27 1.70 0.43 -0.68 0.00 0.00 175.30 176.56 1va3 n SER 609 N 1.34 4.46 -0.11 0.23 7.64 -1.26 -3.91 113.62 122.02 1va3 n SER 609 Ca -0.18 -3.11 -0.17 0.00 1.01 0.00 0.00 58.87 56.43 1va3 n SER 609 Cb 0.57 -0.73 -0.09 0.00 -1.01 0.00 0.00 64.21 62.94 1va3 n SER 609 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1va3 n ASP 610 N -0.16 2.18 0.07 6.43 9.92 -1.26 -4.57 116.55 129.15 1va3 n ASP 610 Ca 0.38 -0.01 -0.01 0.00 -0.53 0.00 0.00 54.79 54.62 1va3 n ASP 610 Cb 1.30 -0.41 -0.06 0.00 -0.64 0.00 0.00 41.12 41.32 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 -0.20 0.00 -0.12 1.24 3.86 -2.02 -3.31 115.15 114.60 1va3 h HIS 611 Ca -0.49 0.00 0.04 0.00 -1.16 0.00 0.00 60.37 58.75 1va3 h HIS 611 Cb 1.66 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.13 1va3 h HIS 611 CO -0.00 0.64 0.19 -0.07 0.86 0.00 0.00 177.93 179.54 1va3 h LEU 612 N 0.00 0.00 -0.33 2.43 3.38 -1.81 -0.73 115.31 118.26 1va3 h LEU 612 Ca -0.10 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1va3 h LEU 612 Cb 1.57 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.32 1va3 h LEU 612 CO 0.06 0.00 -0.42 0.77 0.09 0.00 0.00 178.44 178.94 1va3 h SER 613 N 0.00 0.94 0.43 -0.43 4.64 -1.81 -1.42 113.55 115.90 1va3 h SER 613 Ca 0.06 -0.49 -0.14 0.00 -0.47 0.00 0.00 61.79 60.75 1va3 h SER 613 Cb 0.44 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 1va3 h SER 613 CO -0.00 1.25 -0.60 0.11 -0.87 0.00 0.00 176.83 176.72 1va3 h LYS 614 N 0.66 0.17 0.03 4.77 1.79 -1.35 -2.29 116.57 120.33 1va3 h LYS 614 Ca 0.04 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1va3 h LYS 614 Cb 1.02 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1va3 h LYS 614 CO 0.10 0.71 -0.01 1.25 -1.08 0.00 0.00 179.45 180.42 1va3 h HIS 615 N 0.12 -0.03 0.00 -1.35 2.76 -1.38 -3.20 115.15 112.07 1va3 h HIS 615 Ca -0.01 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 1va3 h HIS 615 Cb 1.08 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 30.05 1va3 h HIS 615 CO 0.01 0.55 -0.10 0.82 -1.30 0.00 0.00 177.93 177.92 1va3 h ILE 616 N -0.65 1.06 -0.62 6.26 2.04 -1.30 -2.54 117.51 121.76 1va3 h ILE 616 Ca -0.00 -0.35 0.08 0.00 1.00 0.00 0.00 64.86 65.59 1va3 h ILE 616 Cb 0.60 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 37.80 1va3 h ILE 616 CO 0.01 0.10 0.28 0.11 0.00 0.00 0.00 178.15 178.64 1va3 h LYS 617 N 0.00 0.49 0.00 2.37 1.79 -1.41 -0.89 116.57 118.92 1va3 h LYS 617 Ca -0.00 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.32 1va3 h LYS 617 Cb 0.18 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 1va3 h LYS 617 CO 0.01 0.33 -0.55 0.00 -1.08 0.00 0.00 179.45 178.16 1va3 h THR 618 N 0.51 1.17 -0.28 -0.16 1.03 -1.52 -3.11 112.91 110.55 1va3 h THR 618 Ca 0.30 -2.05 -0.08 0.00 -0.01 0.00 0.00 66.41 64.57 1va3 h THR 618 Cb 0.30 2.18 -0.02 0.00 -1.07 0.00 0.00 68.15 69.54 1va3 h THR 618 CO -0.25 0.54 -0.15 0.45 -0.01 0.00 0.00 175.52 176.11 1va3 h HIS 619 N 0.00 0.53 -3.90 0.00 3.86 -0.97 -3.43 115.15 111.23 1va3 h HIS 619 Ca -0.01 -0.09 -0.49 0.00 -1.16 0.00 0.00 60.37 58.63 1va3 h HIS 619 Cb 1.14 -0.14 0.02 0.00 1.06 0.00 0.00 27.41 29.49 1va3 h HIS 619 CO 0.00 0.62 0.44 -1.14 0.86 0.00 0.00 177.93 178.71 1va3 s GLN 620 N -4.69 4.33 0.27 2.45 -0.44 -0.65 -4.99 119.66 115.93 1va3 s GLN 620 Ca -0.07 1.65 -0.29 0.00 -2.50 0.00 0.00 55.36 54.14 1va3 s GLN 620 Cb 0.14 -2.79 -0.10 0.00 -1.64 0.00 0.00 33.01 28.63 1va3 s GLN 620 CO 0.78 -0.03 1.33 1.21 0.50 0.00 0.00 175.29 179.08 1va3 s ASN 621 N -1.28 6.81 -0.10 6.67 3.84 -1.26 -4.99 114.94 124.64 1va3 s ASN 621 Ca 0.53 2.57 -0.05 0.00 0.21 0.00 0.00 52.86 56.12 1va3 s ASN 621 Cb -0.26 -2.63 -0.04 0.00 -0.55 0.00 0.00 41.25 37.77 1va3 s ASN 621 CO 0.33 -0.55 0.10 -0.75 -2.79 0.00 0.00 177.10 173.45 1va3 s LYS 622 N -0.93 3.29 0.00 0.43 2.36 -1.26 -5.15 119.74 118.48 1va3 s LYS 622 Ca 0.53 -0.24 0.00 0.00 -2.55 0.00 0.00 55.97 53.71 1va3 s LYS 622 Cb -0.39 -3.05 0.00 0.00 -1.05 0.00 0.00 37.83 33.34 1va3 s LYS 622 CO 0.45 0.74 0.00 1.63 1.55 0.00 0.00 175.35 179.73