#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1scm h LEU 778 N 0.00 -0.46 -2.21 6.15 5.85 -2.05 -1.81 115.31 120.77 1scm h LEU 778 Ca 0.00 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1scm h LEU 778 Cb 0.00 0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1scm h LEU 778 CO 0.00 -0.24 -0.02 0.28 -0.34 0.00 0.00 178.44 178.12 1scm h SER 779 N -0.32 0.00 -0.01 1.25 0.02 -2.06 -0.95 113.55 111.48 1scm h SER 779 Ca 0.03 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1scm h SER 779 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1scm h SER 779 CO -0.10 0.02 -0.36 0.50 -1.14 0.00 0.00 176.83 175.75 1scm h LYS 780 N 0.00 0.49 -0.11 3.45 3.11 -1.81 -2.53 116.57 119.17 1scm h LYS 780 Ca -0.00 -0.23 -0.10 0.00 -2.81 0.00 0.00 60.65 57.52 1scm h LYS 780 Cb 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1scm h LYS 780 CO 0.00 0.78 -0.30 0.82 -2.81 0.00 0.00 179.45 177.94 1scm h ILE 781 N 0.42 1.39 -0.90 2.00 1.08 -0.61 -3.19 117.51 117.70 1scm h ILE 781 Ca 0.04 -1.62 0.17 0.00 -0.39 0.00 0.00 64.86 63.07 1scm h ILE 781 Cb 0.82 2.13 -0.07 0.00 -3.07 0.00 0.00 36.82 36.63 1scm h ILE 781 CO 0.07 0.47 0.58 0.40 -0.69 0.00 0.00 178.15 178.98 1scm h ILE 782 N -0.02 0.77 -0.10 -0.67 1.08 -1.17 -2.12 117.51 115.28 1scm h ILE 782 Ca -0.01 -0.20 -0.10 0.00 -0.39 0.00 0.00 64.86 64.16 1scm h ILE 782 Cb 0.92 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 1scm h ILE 782 CO 0.07 0.11 -0.39 0.28 -0.69 0.00 0.00 178.15 177.52 1scm h SER 783 N 0.59 0.22 0.93 1.72 0.02 -1.44 -0.62 113.55 114.97 1scm h SER 783 Ca 0.46 -0.09 -0.15 0.00 -0.84 0.00 0.00 61.79 61.17 1scm h SER 783 Cb 0.89 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1scm h SER 783 CO -0.21 0.60 -0.73 0.24 -1.14 0.00 0.00 176.83 175.59 1scm h MET 784 N 0.18 0.00 -0.09 3.45 2.86 -1.43 0.73 114.93 120.63 1scm h MET 784 Ca 0.02 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 1scm h MET 784 Cb 0.78 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.44 1scm h MET 784 CO 0.06 0.73 -0.14 0.35 1.06 0.00 0.00 176.91 178.97 1scm h PHE 785 N 0.00 0.31 -0.23 -0.22 3.57 -1.12 -1.37 116.94 117.88 1scm h PHE 785 Ca -0.01 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 61.44 1scm h PHE 785 Cb 1.40 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1scm h PHE 785 CO 0.00 0.73 0.16 1.96 -2.23 0.00 0.00 178.31 178.93 1scm h GLN 786 N -0.21 0.06 -0.01 1.11 4.20 -0.99 -0.62 115.11 118.65 1scm h GLN 786 Ca 0.01 -0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.57 1scm h GLN 786 Cb 0.70 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1scm h GLN 786 CO 0.03 0.04 -0.65 0.00 -0.67 0.00 0.00 178.83 177.58 1scm h ALA 787 N 1.88 0.90 -0.12 3.87 0.00 -0.52 -0.60 119.26 124.67 1scm h ALA 787 Ca 0.10 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1scm h ALA 787 Cb 0.34 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1scm h ALA 787 CO -0.01 0.80 -0.27 0.45 0.00 0.00 0.00 179.25 180.23 1scm h HIS 788 N 0.03 0.51 0.16 0.00 3.86 -0.07 -2.53 115.15 117.12 1scm h HIS 788 Ca -0.01 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1scm h HIS 788 Cb 1.16 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1scm h HIS 788 CO 0.01 0.88 -0.08 0.82 0.86 0.00 0.00 177.93 180.42 1scm h ILE 789 N -0.01 0.84 -0.84 2.45 2.04 -1.10 0.58 117.51 121.46 1scm h ILE 789 Ca 0.00 -0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1scm h ILE 789 Cb 0.86 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 1scm h ILE 789 CO 0.06 0.00 0.55 0.03 0.00 0.00 0.00 178.15 178.79 1scm h ARG 790 N -0.22 1.03 -0.24 2.37 3.08 -1.18 -1.62 114.38 117.61 1scm h ARG 790 Ca -0.02 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 1scm h ARG 790 Cb 0.17 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1scm h ARG 790 CO 0.04 0.68 -0.36 0.78 -1.07 0.00 0.00 179.97 180.04 1scm h GLY 791 N 1.06 0.57 0.93 0.04 0.00 -0.96 -3.05 103.07 101.66 1scm h GLY 791 Ca 0.33 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.12 1scm h GLY 791 CO -0.09 0.49 -0.03 -1.82 0.00 0.00 0.00 176.54 175.08 1scm h TYR 792 N 0.44 -0.09 0.00 5.60 5.03 0.07 -2.92 116.97 125.11 1scm h TYR 792 Ca 0.05 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1scm h TYR 792 Cb 0.84 0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.15 1scm h TYR 792 CO 0.03 0.01 0.00 -0.07 -1.32 0.00 0.00 178.16 176.81 1scm h LEU 793 N -0.17 0.00 0.16 2.82 3.38 -1.35 -2.88 115.31 117.27 1scm h LEU 793 Ca -0.01 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.63 1scm h LEU 793 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1scm h LEU 793 CO 0.02 0.00 -1.65 0.40 0.09 0.00 0.00 178.44 177.29 1scm h ILE 794 N 0.00 1.04 0.00 1.22 1.08 -1.54 -2.65 117.51 116.66 1scm h ILE 794 Ca 0.00 -2.64 -0.07 0.00 -0.39 0.00 0.00 64.86 61.76 1scm h ILE 794 Cb 0.40 2.77 -0.01 0.00 -3.07 0.00 0.00 36.82 36.90 1scm h ILE 794 CO 0.00 0.83 -0.33 0.03 -0.69 0.00 0.00 178.15 178.00 1scm h ARG 795 N 0.09 0.00 0.46 2.37 3.08 -1.47 -0.95 114.38 117.96 1scm h ARG 795 Ca -0.30 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 1scm h ARG 795 Cb 2.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.12 1scm h ARG 795 CO 0.18 0.33 -0.22 -0.22 -1.07 0.00 0.00 179.97 178.96 1scm h LYS 796 N 0.00 -0.59 0.00 0.04 1.63 -1.59 -3.18 116.57 112.88 1scm h LYS 796 Ca -0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1scm h LYS 796 Cb 0.88 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.64 1scm h LYS 796 CO 0.04 -0.40 0.05 0.00 -3.45 0.00 0.00 179.45 175.70 1scm h ALA 797 N -1.32 1.05 -0.20 5.00 0.00 -1.45 -2.38 119.26 119.95 1scm h ALA 797 Ca -0.06 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.85 1scm h ALA 797 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1scm h ALA 797 CO 0.10 -0.05 0.12 -0.92 0.00 0.00 0.00 179.25 178.50 1scm h TYR 798 N 0.00 0.22 -0.68 0.00 3.20 -1.14 -0.33 116.97 118.24 1scm h TYR 798 Ca 0.00 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.92 1scm h TYR 798 Cb 0.11 -0.07 -0.05 0.00 1.54 0.00 0.00 36.73 38.25 1scm h TYR 798 CO 0.00 0.13 0.40 0.87 -1.64 0.00 0.00 178.16 177.93 1scm h LYS 799 N 0.25 0.74 -0.01 1.82 1.57 -1.49 -1.82 116.57 117.62 1scm h LYS 799 Ca 0.08 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1scm h LYS 799 Cb -0.01 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1scm h LYS 799 CO -0.04 0.49 -0.20 1.17 -0.57 0.00 0.00 179.45 180.30 1scm n LYS 800 N -4.73 0.70 0.09 3.15 3.00 -0.93 -3.32 118.16 116.11 1scm n LYS 800 Ca 0.08 -0.33 0.11 0.00 -0.00 0.00 0.00 58.31 58.17 1scm n LYS 800 Cb 0.13 -1.49 -0.01 0.00 0.00 0.00 0.00 35.03 33.66 1scm n LYS 800 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1scm n LEU 801 N -0.86 0.77 0.08 3.14 4.32 -0.18 -3.34 117.00 120.93 1scm n LEU 801 Ca 0.13 0.29 -0.14 0.00 -0.02 0.00 0.00 56.01 56.26 1scm n LEU 801 Cb 0.32 -0.06 -0.07 0.00 -1.62 0.00 0.00 43.42 41.98 1scm n LEU 801 CO 0.25 -0.16 0.11 -0.61 -1.22 0.00 0.00 177.39 175.76 1scm h GLN 802 N 0.00 0.34 0.04 3.23 5.75 -1.35 -2.97 115.11 120.15 1scm h GLN 802 Ca 0.00 -0.43 -0.18 0.00 -0.15 0.00 0.00 58.65 57.89 1scm h GLN 802 Cb 0.98 0.14 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 1scm h GLN 802 CO 0.00 1.13 -0.97 -0.44 -2.65 0.00 0.00 178.83 175.90 1scm h ASP 803 N 0.16 0.14 -0.09 -0.69 3.32 -1.72 -3.33 116.42 114.21 1scm h ASP 803 Ca -0.10 -0.77 0.03 0.00 0.02 0.00 0.00 57.03 56.21 1scm h ASP 803 Cb 1.71 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 41.21 1scm h ASP 803 CO 0.17 1.40 0.16 1.56 -1.72 0.00 0.00 179.24 180.82 1scm h GLN 804 N -0.74 0.00 -0.59 3.56 4.20 -1.67 0.46 115.11 120.33 1scm h GLN 804 Ca -0.24 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 1scm h GLN 804 Cb 1.39 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.15 1scm h GLN 804 CO -0.05 0.00 0.05 -0.09 -0.67 0.00 0.00 178.83 178.07 1scm h ARG 805 N 0.00 1.01 -0.16 1.46 2.43 -1.63 0.14 114.38 117.63 1scm h ARG 805 Ca 0.04 -0.30 -0.21 0.00 -0.81 0.00 0.00 59.98 58.71 1scm h ARG 805 Cb 0.37 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.82 1scm h ARG 805 CO -0.00 0.98 -0.72 0.82 -1.51 0.00 0.00 179.97 179.53 1scm h ILE 806 N 0.91 1.29 -0.77 1.20 2.04 -0.33 0.80 117.51 122.65 1scm h ILE 806 Ca 0.17 -1.93 -0.03 0.00 1.00 0.00 0.00 64.86 64.08 1scm h ILE 806 Cb 0.49 1.98 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 1scm h ILE 806 CO 0.02 0.61 0.35 1.23 0.00 0.00 0.00 178.15 180.36 1scm h GLY 807 N 0.50 1.18 1.78 5.37 0.00 -0.81 0.11 103.07 111.20 1scm h GLY 807 Ca -0.04 -0.59 -0.23 0.00 0.00 0.00 0.00 47.33 46.47 1scm h GLY 807 CO 0.15 0.56 -1.05 -2.00 0.00 0.00 0.00 176.54 174.20 1scm h LEU 808 N 1.09 0.26 -0.30 3.11 5.85 -0.52 -1.35 115.31 123.45 1scm h LEU 808 Ca 0.26 -0.25 -0.20 0.00 0.84 0.00 0.00 57.88 58.53 1scm h LEU 808 Cb 0.13 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1scm h LEU 808 CO -0.03 1.15 -0.78 0.77 -0.34 0.00 0.00 178.44 179.20 1scm h SER 809 N 0.07 0.60 -0.10 1.25 4.64 -0.62 -2.02 113.55 117.38 1scm h SER 809 Ca -0.07 -0.41 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 1scm h SER 809 Cb 1.76 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1scm h SER 809 CO 0.16 1.18 0.01 0.58 -0.87 0.00 0.00 176.83 177.88 1scm h VAL 810 N 0.33 1.24 -0.32 0.95 2.07 -0.60 -0.82 116.25 119.10 1scm h VAL 810 Ca -0.05 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 66.80 1scm h VAL 810 Cb 1.38 1.54 -0.08 0.00 -1.52 0.00 0.00 31.29 32.60 1scm h VAL 810 CO 0.14 0.21 -0.32 0.40 0.02 0.00 0.00 177.57 178.02 1scm h ILE 811 N -0.08 0.25 -0.22 4.57 2.04 -1.24 -2.16 117.51 120.66 1scm h ILE 811 Ca 0.03 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.77 1scm h ILE 811 Cb 0.32 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1scm h ILE 811 CO 0.00 0.00 -0.38 1.56 0.00 0.00 0.00 178.15 179.33 1scm h GLN 812 N -0.29 0.49 0.94 2.37 4.20 -1.26 -1.74 115.11 119.82 1scm h GLN 812 Ca 0.15 -0.24 -0.04 0.00 0.06 0.00 0.00 58.65 58.58 1scm h GLN 812 Cb 0.54 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 1scm h GLN 812 CO -0.48 0.80 -0.49 -0.09 -0.67 0.00 0.00 178.83 177.89 1scm h ARG 813 N 0.41 -1.26 0.00 1.46 2.43 -1.00 -1.88 114.38 114.54 1scm h ARG 813 Ca 0.04 0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.23 1scm h ARG 813 Cb 0.85 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1scm h ARG 813 CO 0.07 -0.84 -0.31 -0.91 -1.51 0.00 0.00 179.97 176.47 1scm h ASN 814 N -1.31 0.00 0.56 -3.80 2.35 -1.41 -0.08 115.58 111.89 1scm h ASN 814 Ca -0.13 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.54 1scm h ASN 814 Cb 1.02 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.38 1scm h ASN 814 CO 0.18 0.31 -0.41 0.40 -1.65 0.00 0.00 177.43 176.26 1scm h ILE 815 N 0.00 1.14 -0.02 2.81 2.04 -1.29 -2.75 117.51 119.45 1scm h ILE 815 Ca -0.00 -1.48 -0.13 0.00 1.00 0.00 0.00 64.86 64.25 1scm h ILE 815 Cb 0.60 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 1scm h ILE 815 CO 0.04 0.40 -0.57 0.03 0.00 0.00 0.00 178.15 178.05 1scm h ARG 816 N 0.00 0.07 -0.41 2.37 3.08 -0.38 -1.91 114.38 117.20 1scm h ARG 816 Ca -0.00 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1scm h ARG 816 Cb 0.80 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1scm h ARG 816 CO 0.05 0.62 -0.23 -0.22 -1.07 0.00 0.00 179.97 179.12 1scm h LYS 817 N 0.05 0.84 0.12 0.04 1.63 -0.84 -3.00 116.57 115.41 1scm h LYS 817 Ca -0.00 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.44 1scm h LYS 817 Cb 1.03 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.62 1scm h LYS 817 CO 0.08 0.98 -0.06 2.35 -3.45 0.00 0.00 179.45 179.35 1scm h TRP 818 N 0.72 -0.15 -0.95 1.91 7.01 -1.42 -2.89 115.95 120.19 1scm h TRP 818 Ca 0.10 -0.00 0.24 0.00 2.11 0.00 0.00 58.89 61.33 1scm h TRP 818 Cb 0.77 0.05 -0.13 0.00 -2.10 0.00 0.00 29.16 27.75 1scm h TRP 818 CO 0.04 0.34 0.50 -0.07 -2.79 0.00 0.00 178.44 176.46 1scm h LEU 819 N -0.87 0.50 0.57 0.65 4.07 -1.43 -1.59 115.31 117.22 1scm h LEU 819 Ca -0.02 0.15 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 1scm h LEU 819 Cb 0.55 0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.36 1scm h LEU 819 CO 0.03 0.03 -0.45 0.58 -1.08 0.00 0.00 178.44 177.55 1scm h VAL 820 N 0.47 0.10 -0.93 1.22 2.07 -1.58 -3.08 116.25 114.52 1scm h VAL 820 Ca 0.61 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.25 1scm h VAL 820 Cb 1.19 0.10 -0.13 0.00 -1.52 0.00 0.00 31.29 30.92 1scm h VAL 820 CO -0.51 0.00 -0.44 0.18 0.02 0.00 0.00 177.57 176.82 1scm n LEU 821 N -5.56 -0.76 0.07 2.57 7.99 -0.63 -0.87 117.00 119.83 1scm n LEU 821 Ca -0.12 1.64 0.10 0.00 -0.01 0.00 0.00 56.01 57.62 1scm n LEU 821 Cb 0.45 -0.31 0.43 0.00 -0.11 0.00 0.00 43.42 43.87 1scm n LEU 821 CO 0.30 -1.42 0.82 0.54 -1.51 0.00 0.00 177.39 176.12 1scm n ARG 822 N -5.29 0.12 -0.40 3.23 1.74 -1.03 -1.25 116.66 113.78 1scm n ARG 822 Ca 0.06 0.32 0.09 0.00 -0.77 0.00 0.00 57.85 57.56 1scm n ARG 822 Cb 0.32 -1.71 0.29 0.00 -1.02 0.00 0.00 32.46 30.33 1scm n ARG 822 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1scm n ASN 823 N -1.94 3.93 -4.40 0.55 3.02 -0.05 -4.74 115.26 111.63 1scm n ASN 823 Ca 0.03 -2.18 -0.35 0.00 -0.03 0.00 0.00 54.58 52.05 1scm n ASN 823 Cb 0.23 -0.45 -0.13 0.00 -0.61 0.00 0.00 39.78 38.81 1scm n ASN 823 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1scm s TRP 824 N -1.33 3.03 0.56 3.10 -0.00 -0.38 -5.02 118.94 118.89 1scm s TRP 824 Ca 0.43 -0.59 0.25 0.00 -0.00 0.00 0.00 56.10 56.18 1scm s TRP 824 Cb 0.25 -2.13 1.52 0.00 -0.00 0.00 0.00 33.47 33.10 1scm s TRP 824 CO 0.25 -0.37 2.10 1.96 -0.00 0.00 0.00 176.95 180.89 1scm h GLN 825 N 7.90 0.00 -0.41 5.86 1.08 -1.91 0.22 115.11 127.83 1scm h GLN 825 Ca -0.38 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.71 1scm h GLN 825 Cb 1.17 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.59 1scm h GLN 825 CO 0.60 0.00 -0.19 -1.49 -0.95 0.00 0.00 178.83 176.80 1scm h TRP 826 N 0.00 0.90 -0.38 2.96 4.06 -1.95 -1.45 115.95 120.09 1scm h TRP 826 Ca 0.10 -0.19 -0.05 0.00 2.06 0.00 0.00 58.89 60.80 1scm h TRP 826 Cb 0.46 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.39 1scm h TRP 826 CO 0.00 0.92 0.03 2.35 -3.56 0.00 0.00 178.44 178.19 1scm h TRP 827 N 0.71 0.69 -0.60 0.49 2.91 -1.21 -0.61 115.95 118.33 1scm h TRP 827 Ca 0.10 -0.11 0.04 0.00 1.13 0.00 0.00 58.89 60.06 1scm h TRP 827 Cb 0.70 -0.19 -0.04 0.00 -0.51 0.00 0.00 29.16 29.12 1scm h TRP 827 CO 0.04 0.71 0.35 0.87 -1.03 0.00 0.00 178.44 179.38 1scm h LYS 828 N 0.48 0.65 -0.13 2.65 1.57 -1.37 0.24 116.57 120.66 1scm h LYS 828 Ca 0.11 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1scm h LYS 828 Cb 0.41 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1scm h LYS 828 CO 0.01 0.43 0.07 1.25 -0.57 0.00 0.00 179.45 180.64 1scm h LEU 829 N 0.67 0.10 -0.87 2.94 5.85 -0.94 -2.65 115.31 120.42 1scm h LEU 829 Ca 0.26 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.99 1scm h LEU 829 Cb 0.09 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.06 1scm h LEU 829 CO -0.14 0.08 0.57 0.22 -0.34 0.00 0.00 178.44 178.83 1scm h TYR 830 N 0.15 1.09 0.00 1.25 3.20 -0.53 -2.28 116.97 119.85 1scm h TYR 830 Ca 0.05 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.94 1scm h TYR 830 Cb 0.01 -0.37 -0.00 0.00 1.54 0.00 0.00 36.73 37.91 1scm h TYR 830 CO -0.09 0.69 -0.01 0.77 -1.64 0.00 0.00 178.16 177.89 1scm h SER 831 N 1.18 0.00 0.12 -2.11 0.02 -0.61 -0.16 113.55 111.98 1scm h SER 831 Ca 0.32 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 61.04 1scm h SER 831 Cb -0.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.42 1scm h SER 831 CO -0.07 0.01 -1.12 0.11 -1.14 0.00 0.00 176.83 174.62 1scm h LYS 832 N 0.00 0.25 0.00 3.45 1.79 -1.27 -3.30 116.57 117.49 1scm h LYS 832 Ca -0.00 -0.42 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1scm h LYS 832 Cb 0.19 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 1scm h LYS 832 CO 0.00 1.20 0.00 0.28 -1.08 0.00 0.00 179.45 179.85 1scm h VAL 833 N -0.38 0.00 0.00 0.50 2.07 -1.14 -3.36 116.25 113.94 1scm h VAL 833 Ca -0.23 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 1scm h VAL 833 Cb 1.67 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1scm h VAL 833 CO 0.08 0.00 -0.01 0.11 0.02 0.00 0.00 177.57 177.78 1scm h LYS 834 N 0.00 0.00 0.08 1.57 1.57 -1.14 -2.21 116.57 116.45 1scm h LYS 834 Ca 0.00 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.49 1scm h LYS 834 Cb 0.54 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 1scm h LYS 834 CO 0.00 0.01 -1.47 -1.00 -0.57 0.00 0.00 179.45 176.42 1scm h PRO 835 N 0.00 0.18 0.00 3.15 0.13 -1.79 -3.51 132.00 130.15 1scm h PRO 835 Ca -0.00 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1scm h PRO 835 Cb 0.18 0.11 0.00 0.00 0.13 0.00 0.00 31.00 31.42 1scm h PRO 835 CO 0.00 1.02 0.00 1.28 -0.23 0.00 0.00 178.00 180.07