#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doe s SER 778 N 0.00 -0.23 0.34 1.61 1.04 -1.26 -5.16 113.70 110.04 2doe s SER 778 Ca 0.00 -0.56 -0.19 0.00 0.48 0.00 0.00 55.95 55.68 2doe s SER 778 Cb 0.00 0.59 -0.10 0.00 0.10 0.00 0.00 66.02 66.61 2doe s SER 778 CO 0.00 -1.09 0.83 -0.55 0.98 0.00 0.00 173.24 173.41 2doe s SER 779 N -2.90 6.95 0.00 7.02 0.15 -1.26 -5.08 113.70 118.58 2doe s SER 779 Ca 0.11 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.28 2doe s SER 779 Cb -0.01 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 2doe s SER 779 CO -0.00 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.84 2doe n GLY 780 N -0.18 3.75 3.29 9.45 0.00 -1.26 -5.14 105.19 115.11 2doe n GLY 780 Ca 0.04 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 2doe n GLY 780 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2doe s SER 781 N -0.29 2.97 -0.28 1.61 0.01 -1.26 -5.12 113.70 111.34 2doe s SER 781 Ca 0.00 -0.47 -0.19 0.00 1.31 0.00 0.00 55.95 56.60 2doe s SER 781 Cb 0.00 -0.47 0.08 0.00 0.21 0.00 0.00 66.02 65.85 2doe s SER 781 CO 0.00 0.29 0.73 -0.94 0.41 0.00 0.00 173.24 173.73 2doe s SER 782 N -0.47 -0.84 0.00 2.44 1.04 -1.26 -5.17 113.70 109.44 2doe s SER 782 Ca 0.06 1.42 0.00 0.00 0.48 0.00 0.00 55.95 57.91 2doe s SER 782 Cb -0.11 1.38 0.00 0.00 0.10 0.00 0.00 66.02 67.39 2doe s SER 782 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2doe n GLY 783 N 3.68 2.36 3.80 7.32 0.00 -1.26 -5.15 105.19 115.95 2doe n GLY 783 Ca -0.18 -0.80 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 2doe n GLY 783 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2doe s GLU 784 N -2.00 4.38 -0.03 1.61 2.12 -1.26 -5.00 118.70 118.51 2doe s GLU 784 Ca 0.00 0.98 -0.25 0.00 0.36 0.00 0.00 54.97 56.06 2doe s GLU 784 Cb 0.00 -3.04 -0.19 0.00 0.26 0.00 0.00 34.13 31.16 2doe s GLU 784 CO 0.00 0.47 1.14 0.87 -0.54 0.00 0.00 175.26 177.20 2doe h LYS 785 N 3.82 -0.10 -5.49 4.30 1.57 -2.07 -3.43 116.57 115.16 2doe h LYS 785 Ca -0.48 0.01 -0.57 0.00 -1.87 0.00 0.00 60.65 57.74 2doe h LYS 785 Cb 1.20 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 33.49 2doe h LYS 785 CO 0.65 0.38 1.59 -1.91 -0.57 0.00 0.00 179.45 179.60 2doe n GLU 786 N -4.89 0.46 -2.49 3.15 2.13 -1.26 -4.84 120.64 112.90 2doe n GLU 786 Ca -0.08 0.06 -0.43 0.00 0.66 0.00 0.00 57.16 57.37 2doe n GLU 786 Cb 0.27 -2.13 -0.02 0.00 0.27 0.00 0.00 31.44 29.82 2doe n GLU 786 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2doe s ASP 787 N 8.89 6.51 -0.46 4.31 1.01 -1.26 -4.96 116.67 130.70 2doe s ASP 787 Ca 1.20 0.63 0.03 0.00 0.71 0.00 0.00 52.55 55.11 2doe s ASP 787 Cb -0.97 -2.55 0.14 0.00 1.01 0.00 0.00 42.92 40.55 2doe s ASP 787 CO 0.47 -1.33 0.25 -0.94 0.21 0.00 0.00 175.17 173.83 2doe s SER 788 N 3.09 3.81 -0.15 0.27 1.04 -1.26 -4.95 113.70 115.55 2doe s SER 788 Ca 0.54 -2.75 -0.14 0.00 0.48 0.00 0.00 55.95 54.07 2doe s SER 788 Cb -0.10 -1.19 -0.12 0.00 0.10 0.00 0.00 66.02 64.72 2doe s SER 788 CO 0.32 -0.25 0.19 0.11 0.98 0.00 0.00 173.24 174.58 2doe h LYS 789 N 6.63 0.00 0.00 4.02 6.56 -2.02 -3.38 116.57 128.39 2doe h LYS 789 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2doe h LYS 789 Cb 0.91 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 2doe h LYS 789 CO 0.54 0.48 -1.47 -2.37 -2.06 0.00 0.00 179.45 174.57 2doe n THR 790 N -4.61 0.00 -0.01 -0.16 5.66 -1.26 -4.49 114.28 109.40 2doe n THR 790 Ca -0.12 -0.29 -0.12 0.00 -3.05 0.00 0.00 64.05 60.47 2doe n THR 790 Cb 0.35 0.42 -0.07 0.00 -1.55 0.00 0.00 70.33 69.48 2doe n THR 790 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 175.07 171.93 2doe h ARG 791 N 0.00 0.12 -0.77 1.09 2.43 -1.93 -3.11 114.38 112.22 2doe h ARG 791 Ca 0.00 -0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.31 2doe h ARG 791 Cb 0.68 -0.02 -0.14 0.00 -0.42 0.00 0.00 29.97 30.07 2doe h ARG 791 CO 0.00 0.27 -0.11 0.78 -1.51 0.00 0.00 179.97 179.40 2doe h GLY 792 N -0.06 0.69 -0.68 2.80 0.00 -1.79 -1.52 103.07 102.51 2doe h GLY 792 Ca 0.03 0.20 0.07 0.00 0.00 0.00 0.00 47.33 47.62 2doe h GLY 792 CO -0.00 -0.30 -0.56 -2.09 0.00 0.00 0.00 176.54 173.59 2doe h GLU 793 N 0.04 -0.19 0.19 4.80 4.57 -1.80 0.19 114.58 122.38 2doe h GLU 793 Ca 0.39 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.60 2doe h GLU 793 Cb 0.65 0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.25 2doe h GLU 793 CO -0.75 -0.13 -0.39 -0.22 -1.18 0.00 0.00 179.01 176.35 2doe h LYS 794 N -0.19 -0.64 -0.91 1.92 1.63 -1.40 -1.73 116.57 115.25 2doe h LYS 794 Ca 0.11 0.04 0.24 0.00 -0.85 0.00 0.00 60.65 60.20 2doe h LYS 794 Cb 0.49 0.15 -0.13 0.00 -0.60 0.00 0.00 32.23 32.13 2doe h LYS 794 CO -0.74 -0.43 0.38 0.82 -3.45 0.00 0.00 179.45 176.03 2doe h ILE 795 N -0.66 0.39 0.39 2.00 2.04 -0.79 -0.21 117.51 120.67 2doe h ILE 795 Ca 0.01 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 2doe h ILE 795 Cb 0.66 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2doe h ILE 795 CO -0.18 0.06 -0.19 0.50 0.00 0.00 0.00 178.15 178.34 2doe h LYS 796 N 0.33 -0.51 -0.05 2.37 3.64 0.14 -2.01 116.57 120.48 2doe h LYS 796 Ca 0.59 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 60.04 2doe h LYS 796 Cb 1.19 0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 2doe h LYS 796 CO -0.58 -0.31 -0.33 0.77 -2.27 0.00 0.00 179.45 176.73 2doe h SER 797 N -0.57 -0.99 -0.48 4.20 0.02 -0.25 -2.06 113.55 113.41 2doe h SER 797 Ca -0.05 0.13 0.10 0.00 -0.84 0.00 0.00 61.79 61.13 2doe h SER 797 Cb 0.43 0.41 -0.10 0.00 0.14 0.00 0.00 62.40 63.28 2doe h SER 797 CO 0.09 -0.38 -0.19 0.44 -1.14 0.00 0.00 176.83 175.65 2doe h ASP 798 N -0.45 -0.68 -0.20 3.07 3.32 -1.17 -1.65 116.42 118.67 2doe h ASP 798 Ca 0.07 0.17 0.05 0.00 0.02 0.00 0.00 57.03 57.34 2doe h ASP 798 Cb 0.56 0.38 -0.07 0.00 0.22 0.00 0.00 39.33 40.42 2doe h ASP 798 CO -0.30 -0.23 -0.39 0.15 -1.72 0.00 0.00 179.24 176.75 2doe h PHE 799 N -0.09 -1.11 -0.47 4.55 3.57 -0.76 -1.74 116.94 120.90 2doe h PHE 799 Ca 0.23 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.88 2doe h PHE 799 Cb 0.44 0.51 -0.09 0.00 2.79 0.00 0.00 35.95 39.60 2doe h PHE 799 CO -0.47 -0.44 -0.14 0.74 -2.23 0.00 0.00 178.31 175.76 2doe h PHE 800 N -0.42 -0.32 -0.26 0.41 0.04 -0.69 -2.11 116.94 113.58 2doe h PHE 800 Ca 0.10 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.96 2doe h PHE 800 Cb 0.59 0.21 -0.07 0.00 2.20 0.00 0.00 35.95 38.88 2doe h PHE 800 CO -0.49 -0.23 -0.52 0.93 -0.60 0.00 0.00 178.31 177.40 2doe h GLU 801 N -0.03 -0.46 -0.02 1.51 4.39 -0.46 -0.73 114.58 118.77 2doe h GLU 801 Ca 0.23 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.97 2doe h GLU 801 Cb 0.38 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 2doe h GLU 801 CO -0.50 -0.31 -0.27 1.25 -1.16 0.00 0.00 179.01 178.02 2doe h LEU 802 N -0.48 -0.84 -0.51 1.33 5.85 -0.83 0.21 115.31 120.04 2doe h LEU 802 Ca 0.07 0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2doe h LEU 802 Cb 0.64 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.92 2doe h LEU 802 CO -0.51 -0.26 -0.33 -0.07 -0.34 0.00 0.00 178.44 176.94 2doe h LEU 803 N -0.32 -1.19 -0.85 2.25 3.38 -1.12 0.29 115.31 117.75 2doe h LEU 803 Ca 0.01 0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.37 2doe h LEU 803 Cb 0.36 0.52 -0.13 0.00 0.09 0.00 0.00 40.66 41.50 2doe h LEU 803 CO -0.19 -0.14 0.27 -1.28 0.09 0.00 0.00 178.44 177.19 2doe h SER 804 N -0.03 0.11 -0.19 -0.43 0.87 -0.94 0.81 113.55 113.75 2doe h SER 804 Ca 0.08 0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.87 2doe h SER 804 Cb 0.24 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2doe h SER 804 CO -0.50 -0.08 0.15 0.78 -0.53 0.00 0.00 176.83 176.65 2doe h ASN 805 N 0.29 0.00 -0.16 6.23 2.35 0.17 -1.46 115.58 122.99 2doe h ASN 805 Ca 0.52 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.18 2doe h ASN 805 Cb 1.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.32 2doe h ASN 805 CO -0.58 0.00 0.12 1.41 -1.65 0.00 0.00 177.43 176.73 2doe n HIS 806 N -4.29 0.51 -3.84 1.19 8.25 0.28 -4.83 115.22 112.49 2doe n HIS 806 Ca 0.01 -0.98 -0.26 0.00 -0.26 0.00 0.00 57.72 56.23 2doe n HIS 806 Cb 0.28 -0.49 -0.03 0.00 1.12 0.00 0.00 29.99 30.88 2doe n HIS 806 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2doe n HIS 807 N 0.60 -0.87 -0.94 4.41 8.25 -0.55 -4.77 115.22 121.35 2doe n HIS 807 Ca 0.10 0.22 -0.35 0.00 -0.26 0.00 0.00 57.72 57.43 2doe n HIS 807 Cb 0.62 -1.84 0.07 0.00 1.12 0.00 0.00 29.99 29.96 2doe n HIS 807 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2doe n LEU 808 N -3.54 -4.00 -4.19 2.41 4.77 -1.25 -5.01 117.00 106.19 2doe n LEU 808 Ca -0.15 0.24 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 2doe n LEU 808 Cb 0.42 -0.92 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 2doe n LEU 808 CO 0.53 -5.20 -0.32 1.51 -1.33 0.00 0.00 177.39 172.58 2doe s ASP 809 N -1.34 0.80 0.26 -1.43 -4.77 -1.26 -5.04 116.67 103.89 2doe s ASP 809 Ca 0.46 -1.17 -0.04 0.00 -3.30 0.00 0.00 52.55 48.51 2doe s ASP 809 Cb -0.20 0.19 0.32 0.00 -1.09 0.00 0.00 42.92 42.15 2doe s ASP 809 CO 0.77 -0.63 1.84 0.28 0.70 0.00 0.00 175.17 178.13 2doe h SER 810 N 2.81 0.94 -0.88 2.11 0.02 -1.95 -2.20 113.55 114.40 2doe h SER 810 Ca -0.36 -0.13 -0.45 0.00 -0.84 0.00 0.00 61.79 60.01 2doe h SER 810 Cb 1.20 -0.24 -0.27 0.00 0.14 0.00 0.00 62.40 63.22 2doe h SER 810 CO 0.62 0.83 0.58 0.00 -1.14 0.00 0.00 176.83 177.71 2doe n GLN 811 N -4.31 2.12 -2.18 3.45 1.13 -1.26 -4.90 117.38 111.43 2doe n GLN 811 Ca 0.06 -2.65 -0.42 0.00 -1.94 0.00 0.00 57.00 52.05 2doe n GLN 811 Cb 0.17 -2.04 -0.03 0.00 0.11 0.00 0.00 30.24 28.45 2doe n GLN 811 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 2doe s SER 812 N -1.02 6.84 -0.10 1.08 0.15 -0.83 -5.01 113.70 114.81 2doe s SER 812 Ca 0.50 2.33 -0.09 0.00 0.70 0.00 0.00 55.95 59.39 2doe s SER 812 Cb 0.42 -2.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.10 2doe s SER 812 CO 0.10 -0.63 0.21 -0.60 1.20 0.00 0.00 173.24 173.51 2doe s ARG 813 N 0.92 3.61 0.04 5.44 6.06 -1.26 -5.00 118.95 128.77 2doe s ARG 813 Ca 0.63 -0.00 -0.29 0.00 -2.50 0.00 0.00 55.73 53.58 2doe s ARG 813 Cb -0.37 -3.22 -0.17 0.00 0.06 0.00 0.00 34.95 31.25 2doe s ARG 813 CO 0.31 0.72 1.45 2.35 -2.50 0.00 0.00 175.30 177.63 2doe h TRP 814 N 5.05 -0.61 -0.99 5.12 -0.00 -1.98 -0.76 115.95 121.78 2doe h TRP 814 Ca -0.53 -0.01 0.32 0.00 -0.00 0.00 0.00 58.89 58.67 2doe h TRP 814 Cb 1.22 0.20 -0.15 0.00 -0.00 0.00 0.00 29.16 30.43 2doe h TRP 814 CO 0.73 -0.32 0.51 1.03 -0.00 0.00 0.00 178.44 180.40 2doe h SER 815 N -0.81 0.41 0.21 2.65 0.87 -1.98 0.45 113.55 115.35 2doe h SER 815 Ca -0.07 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 2doe h SER 815 Cb 0.57 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 2doe h SER 815 CO 0.11 -0.18 -0.10 0.11 -0.53 0.00 0.00 176.83 176.24 2doe h LYS 816 N 0.27 -0.27 -1.15 2.24 1.79 -1.94 -2.22 116.57 115.28 2doe h LYS 816 Ca 0.72 0.02 0.33 0.00 -2.18 0.00 0.00 60.65 59.55 2doe h LYS 816 Cb 1.67 0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 32.33 2doe h LYS 816 CO -0.64 -0.18 0.87 -0.24 -1.08 0.00 0.00 179.45 178.18 2doe h VAL 817 N -0.68 0.36 -0.01 0.50 3.04 -0.42 0.19 116.25 119.23 2doe h VAL 817 Ca -0.03 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.62 2doe h VAL 817 Cb 0.22 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.88 2doe h VAL 817 CO 0.05 0.00 -0.16 0.50 -1.01 0.00 0.00 177.57 176.95 2doe h LYS 818 N 0.00 0.12 0.00 4.17 3.64 -0.16 -1.05 116.57 123.30 2doe h LYS 818 Ca 0.55 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.79 2doe h LYS 818 Cb 2.29 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 34.14 2doe h LYS 818 CO -0.01 0.85 -0.06 -0.44 -2.27 0.00 0.00 179.45 177.52 2doe h ASP 819 N -0.55 0.00 0.15 4.20 5.19 -0.07 0.43 116.42 125.76 2doe h ASP 819 Ca -0.02 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.08 2doe h ASP 819 Cb 0.90 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.41 2doe h ASP 819 CO 0.03 0.06 -1.59 0.11 -3.12 0.00 0.00 179.24 174.73 2doe h LYS 820 N 0.00 0.31 0.00 3.56 1.57 -0.99 -3.36 116.57 117.65 2doe h LYS 820 Ca -0.00 -0.53 -0.18 0.00 -1.87 0.00 0.00 60.65 58.07 2doe h LYS 820 Cb 0.29 0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2doe h LYS 820 CO 0.01 1.25 -0.85 -0.39 -0.57 0.00 0.00 179.45 178.90 2doe h VAL 821 N -0.11 1.61 -1.14 0.50 -1.51 -0.90 -3.26 116.25 111.44 2doe h VAL 821 Ca -0.33 -2.93 0.33 0.00 -1.23 0.00 0.00 66.70 62.54 2doe h VAL 821 Cb 1.92 2.58 -0.05 0.00 -2.13 0.00 0.00 31.29 33.62 2doe h VAL 821 CO 0.11 0.84 1.24 -1.84 -1.23 0.00 0.00 177.57 176.69 2doe n GLU 822 N -3.52 0.01 -0.27 5.19 0.28 0.15 0.21 120.64 122.69 2doe n GLU 822 Ca -0.00 1.02 -0.03 0.00 -0.16 0.00 0.00 57.16 57.98 2doe n GLU 822 Cb 0.82 -2.52 0.06 0.00 1.43 0.00 0.00 31.44 31.23 2doe n GLU 822 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2doe n SER 823 N -3.30 2.82 -3.96 -1.84 7.64 -1.23 -4.79 113.62 108.96 2doe n SER 823 Ca 0.26 -2.33 -0.16 0.00 1.01 0.00 0.00 58.87 57.64 2doe n SER 823 Cb 1.58 -0.57 -0.14 0.00 -1.01 0.00 0.00 64.21 64.07 2doe n SER 823 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2doe s ASP 824 N 0.22 0.62 0.37 6.43 2.15 0.56 -5.04 116.67 121.97 2doe s ASP 824 Ca 0.14 -0.09 0.16 0.00 0.43 0.00 0.00 52.55 53.18 2doe s ASP 824 Cb 0.11 -0.07 0.71 0.00 -0.30 0.00 0.00 42.92 43.37 2doe s ASP 824 CO 0.03 0.06 1.78 1.55 -0.17 0.00 0.00 175.17 178.42 2doe h PRO 825 N 6.03 0.00 -0.48 4.34 0.13 -1.87 -3.01 132.00 137.15 2doe h PRO 825 Ca -0.28 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.82 2doe h PRO 825 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2doe h PRO 825 CO 0.50 0.40 0.19 0.00 -0.23 0.00 0.00 178.00 178.86 2doe h ARG 826 N 0.00 0.68 0.00 0.86 3.08 -1.96 -1.49 114.38 115.56 2doe h ARG 826 Ca -0.00 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 2doe h ARG 826 Cb 0.79 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 2doe h ARG 826 CO 0.05 0.56 -0.09 -0.92 -1.07 0.00 0.00 179.97 178.50 2doe h TYR 827 N 0.68 0.00 0.00 3.04 5.03 -1.82 -1.28 116.97 122.62 2doe h TYR 827 Ca 0.17 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.46 2doe h TYR 827 Cb 0.13 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.41 2doe h TYR 827 CO 0.01 0.09 -0.09 0.87 -1.32 0.00 0.00 178.16 177.72 2doe h LYS 828 N 0.00 0.00 -0.20 1.82 1.57 -1.39 -3.32 116.57 115.06 2doe h LYS 828 Ca -0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2doe h LYS 828 Cb 0.28 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.52 2doe h LYS 828 CO 0.01 0.09 -0.33 0.00 -0.57 0.00 0.00 179.45 178.66 2doe h ALA 829 N 1.91 -0.34 -1.76 3.86 0.00 -1.16 -3.37 119.26 118.40 2doe h ALA 829 Ca -0.00 0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.40 2doe h ALA 829 Cb 0.99 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 19.40 2doe h ALA 829 CO 0.01 -0.79 1.32 0.08 0.00 0.00 0.00 179.25 179.88 2doe s VAL 830 N -5.99 3.41 0.01 0.00 1.01 -1.25 -4.88 120.40 112.71 2doe s VAL 830 Ca -0.15 0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.95 2doe s VAL 830 Cb 0.11 -3.67 -0.15 0.00 0.00 0.00 0.00 36.38 32.67 2doe s VAL 830 CO 0.66 -0.51 1.16 -0.78 0.00 0.00 0.00 175.10 175.63 2doe h ASP 831 N 13.88 -0.55 -2.99 3.32 1.82 -1.90 -3.43 116.42 126.56 2doe h ASP 831 Ca -0.31 -0.08 -0.54 0.00 -0.39 0.00 0.00 57.03 55.72 2doe h ASP 831 Cb 1.17 0.14 0.01 0.00 0.68 0.00 0.00 39.33 41.34 2doe h ASP 831 CO 1.09 -0.18 0.75 -0.55 -1.61 0.00 0.00 179.24 178.73 2doe s SER 832 N -4.80 6.87 0.15 2.28 0.15 -1.26 -4.93 113.70 112.17 2doe s SER 832 Ca -0.14 2.19 -0.13 0.00 0.70 0.00 0.00 55.95 58.58 2doe s SER 832 Cb 0.02 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.77 2doe s SER 832 CO 0.48 -0.65 1.60 0.28 1.20 0.00 0.00 173.24 176.15 2doe h SER 833 N 7.24 0.83 -0.80 5.45 0.02 -2.02 -3.03 113.55 121.25 2doe h SER 833 Ca -0.40 -0.30 0.19 0.00 -0.84 0.00 0.00 61.79 60.43 2doe h SER 833 Cb 1.20 -0.22 -0.12 0.00 0.14 0.00 0.00 62.40 63.39 2doe h SER 833 CO 0.87 0.93 0.20 0.28 -1.14 0.00 0.00 176.83 177.98 2doe h SER 834 N 0.71 0.02 0.12 3.07 0.02 -1.98 -1.19 113.55 114.32 2doe h SER 834 Ca 0.14 0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 2doe h SER 834 Cb 0.50 0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 2doe h SER 834 CO 0.02 -0.08 -0.41 0.24 -1.14 0.00 0.00 176.83 175.47 2doe h MET 835 N 0.26 -0.62 0.14 3.45 2.86 -1.94 -0.52 114.93 118.56 2doe h MET 835 Ca 0.47 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 58.16 2doe h MET 835 Cb 0.86 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.62 2doe h MET 835 CO -0.57 -0.41 -0.48 0.00 1.06 0.00 0.00 176.91 176.51 2doe h ARG 836 N -0.64 -0.69 -0.88 1.72 3.08 -1.31 0.20 114.38 115.87 2doe h ARG 836 Ca 0.02 0.05 0.23 0.00 0.07 0.00 0.00 59.98 60.35 2doe h ARG 836 Cb 0.67 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.74 2doe h ARG 836 CO -0.24 -0.46 0.26 1.49 -1.07 0.00 0.00 179.97 179.95 2doe h GLU 837 N -0.71 0.23 0.34 0.04 4.81 -1.21 0.26 114.58 118.33 2doe h GLU 837 Ca -0.01 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 2doe h GLU 837 Cb 0.70 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2doe h GLU 837 CO -0.24 0.15 -0.16 0.22 -0.73 0.00 0.00 179.01 178.24 2doe h ASP 838 N 0.23 -0.39 -0.92 1.04 3.58 -0.18 -2.10 116.42 117.68 2doe h ASP 838 Ca 0.55 0.01 0.17 0.00 0.42 0.00 0.00 57.03 58.18 2doe h ASP 838 Cb 1.10 0.10 -0.17 0.00 1.72 0.00 0.00 39.33 42.09 2doe h ASP 838 CO -0.63 -0.22 -0.29 -0.07 -2.88 0.00 0.00 179.24 175.15 2doe h LEU 839 N -0.58 -1.06 -0.17 2.28 3.38 -0.10 0.29 115.31 119.35 2doe h LEU 839 Ca -0.05 0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.25 2doe h LEU 839 Cb 0.35 0.63 -0.05 0.00 0.09 0.00 0.00 40.66 41.68 2doe h LEU 839 CO 0.08 -0.30 -0.12 0.15 0.09 0.00 0.00 178.44 178.33 2doe h PHE 840 N -0.02 -0.30 -0.91 1.13 3.57 -1.00 -1.68 116.94 117.73 2doe h PHE 840 Ca 0.40 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.96 2doe h PHE 840 Cb 0.64 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.48 2doe h PHE 840 CO -0.76 -0.18 0.59 0.87 -2.23 0.00 0.00 178.31 176.60 2doe h LYS 841 N -0.12 1.09 0.59 1.11 1.57 0.15 -2.26 116.57 118.69 2doe h LYS 841 Ca 0.10 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2doe h LYS 841 Cb 0.27 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2doe h LYS 841 CO -0.24 0.72 -0.43 1.96 -0.57 0.00 0.00 179.45 180.89 2doe h GLN 842 N 1.12 -0.94 -0.44 3.15 4.20 0.08 0.22 115.11 122.51 2doe h GLN 842 Ca 0.37 0.06 0.09 0.00 0.06 0.00 0.00 58.65 59.24 2doe h GLN 842 Cb 0.05 0.21 -0.10 0.00 0.30 0.00 0.00 27.48 27.95 2doe h GLN 842 CO -0.14 -0.62 -0.29 -0.92 -0.67 0.00 0.00 178.83 176.19 2doe h TYR 843 N -0.97 -0.80 -0.20 2.96 5.03 -1.20 -1.32 116.97 120.47 2doe h TYR 843 Ca -0.08 0.06 0.04 0.00 2.58 0.00 0.00 58.73 61.33 2doe h TYR 843 Cb 0.80 0.42 -0.04 0.00 1.55 0.00 0.00 36.73 39.46 2doe h TYR 843 CO -0.13 -0.36 -0.03 0.82 -1.32 0.00 0.00 178.16 177.13 2doe h ILE 844 N -0.20 0.82 -1.01 1.81 1.08 -1.29 -1.74 117.51 116.97 2doe h ILE 844 Ca 0.19 -0.01 0.27 0.00 -0.39 0.00 0.00 64.86 64.92 2doe h ILE 844 Cb 0.52 0.80 -0.13 0.00 -3.07 0.00 0.00 36.82 34.94 2doe h ILE 844 CO -0.56 0.00 0.60 -0.08 -0.69 0.00 0.00 178.15 177.43 2doe h GLU 845 N 0.02 0.49 -0.03 2.37 4.81 0.54 0.11 114.58 122.90 2doe h GLU 845 Ca 0.10 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 2doe h GLU 845 Cb 0.14 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2doe h GLU 845 CO -0.19 0.33 -0.01 -0.22 -0.73 0.00 0.00 179.01 178.18 2doe h LYS 846 N 0.51 0.06 0.05 1.92 3.64 -0.60 -3.03 116.57 119.11 2doe h LYS 846 Ca 0.66 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 60.02 2doe h LYS 846 Cb 1.36 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2doe h LYS 846 CO -0.49 0.43 -0.21 0.82 -2.27 0.00 0.00 179.45 177.73 2doe h ILE 847 N -0.31 0.00 -1.12 2.00 2.04 -0.45 -1.32 117.51 118.35 2doe h ILE 847 Ca 0.01 0.00 0.41 0.00 1.00 0.00 0.00 64.86 66.28 2doe h ILE 847 Cb 0.41 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.33 2doe h ILE 847 CO 0.00 0.00 0.66 0.00 0.00 0.00 0.00 178.15 178.82 2doe h ALA 848 N -1.17 2.34 -0.99 1.87 0.00 -1.45 1.28 119.26 121.15 2doe h ALA 848 Ca -0.00 0.20 -0.66 0.00 0.00 0.00 0.00 54.91 54.44 2doe h ALA 848 Cb 0.30 0.25 -0.29 0.00 0.00 0.00 0.00 17.79 18.05 2doe h ALA 848 CO -0.11 -1.04 0.83 1.63 0.00 0.00 0.00 179.25 180.56 2doe n LYS 849 N -5.01 2.66 -0.01 0.00 5.02 -0.58 -4.28 118.16 115.96 2doe n LYS 849 Ca 0.37 -3.28 0.08 0.00 -2.02 0.00 0.00 58.31 53.46 2doe n LYS 849 Cb 1.29 -2.28 -0.14 0.00 -0.02 0.00 0.00 35.03 33.88 2doe n LYS 849 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2doe n ASN 850 N -0.94 0.89 -2.40 4.39 5.15 0.44 -4.48 115.26 118.31 2doe n ASN 850 Ca 0.62 0.00 -0.31 0.00 -0.60 0.00 0.00 54.58 54.30 2doe n ASN 850 Cb 0.76 1.77 0.03 0.00 -0.53 0.00 0.00 39.78 41.81 2doe n ASN 850 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2doe n LEU 851 N -2.16 6.05 -4.68 1.20 -0.00 -1.26 -5.02 117.00 111.14 2doe n LEU 851 Ca -0.05 -4.79 -0.42 0.00 -0.00 0.00 0.00 56.01 50.76 2doe n LEU 851 Cb 0.50 -0.67 -0.03 0.00 -0.00 0.00 0.00 43.42 43.22 2doe n LEU 851 CO 0.38 1.93 0.70 -0.62 -0.00 0.00 0.00 177.39 179.77 2doe s ASP 852 N -2.66 7.14 0.38 1.45 -1.08 -1.26 -5.02 116.67 115.62 2doe s ASP 852 Ca 0.54 1.40 -0.27 0.00 -0.52 0.00 0.00 52.55 53.69 2doe s ASP 852 Cb 0.44 -2.51 -0.09 0.00 -1.46 0.00 0.00 42.92 39.29 2doe s ASP 852 CO -0.13 -0.40 1.33 -0.55 0.52 0.00 0.00 175.17 175.94 2doe s SER 853 N 1.09 6.44 -0.29 -0.34 0.15 -1.26 -5.02 113.70 114.47 2doe s SER 853 Ca 0.44 2.71 -0.16 0.00 0.70 0.00 0.00 55.95 59.64 2doe s SER 853 Cb -0.18 -2.64 0.18 0.00 -1.71 0.00 0.00 66.02 61.66 2doe s SER 853 CO 0.17 -0.76 1.11 -0.55 1.20 0.00 0.00 173.24 174.40 2doe s SER 854 N -0.60 -0.30 0.12 5.45 0.15 -1.26 -5.17 113.70 112.10 2doe s SER 854 Ca 0.54 0.47 -0.12 0.00 0.70 0.00 0.00 55.95 57.54 2doe s SER 854 Cb -0.40 1.14 -0.06 0.00 -1.71 0.00 0.00 66.02 64.99 2doe s SER 854 CO 0.52 -0.07 0.48 -0.83 1.20 0.00 0.00 173.24 174.54 2doe s GLY 855 N 1.29 2.40 0.44 9.45 0.00 -1.26 -5.09 107.32 114.55 2doe s GLY 855 Ca -0.08 -0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 2doe s GLY 855 CO -0.13 -0.00 0.39 -1.55 0.00 0.00 0.00 173.10 171.82 2doe n PRO 856 N 0.80 -1.80 -4.52 2.90 -0.04 -1.26 -5.09 135.00 125.99 2doe n PRO 856 Ca -0.06 -0.63 -0.30 0.00 -0.04 0.00 0.00 63.50 62.47 2doe n PRO 856 Cb 0.52 -0.59 -0.07 0.00 -0.04 0.00 0.00 33.50 33.32 2doe n PRO 856 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2doe s SER 857 N -2.57 4.18 0.57 3.54 0.01 -1.26 -5.10 113.70 113.07 2doe s SER 857 Ca 0.26 -1.45 -0.19 0.00 1.31 0.00 0.00 55.95 55.88 2doe s SER 857 Cb -0.03 0.15 -0.07 0.00 0.21 0.00 0.00 66.02 66.28 2doe s SER 857 CO 0.20 -0.75 0.81 -1.20 0.41 0.00 0.00 173.24 172.71 2doe n SER 858 N -1.26 0.15 0.00 2.44 7.64 -1.26 -5.36 113.62 115.96 2doe n SER 858 Ca -0.11 0.80 0.00 0.00 1.01 0.00 0.00 58.87 60.57 2doe n SER 858 Cb 0.66 -1.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 2doe n SER 858 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64