#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doe h SER 778 N 0.00 -0.24 -2.99 1.61 0.02 -2.13 -3.44 113.55 106.38 2doe h SER 778 Ca 0.00 -0.19 -0.58 0.00 -0.84 0.00 0.00 61.79 60.17 2doe h SER 778 Cb 0.00 0.06 0.12 0.00 0.14 0.00 0.00 62.40 62.72 2doe h SER 778 CO 0.00 0.07 0.30 -1.54 -1.14 0.00 0.00 176.83 174.52 2doe n SER 779 N -5.09 1.92 0.00 3.07 3.41 -1.26 -4.41 113.62 111.25 2doe n SER 779 Ca -0.09 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 2doe n SER 779 Cb 0.22 -1.39 0.00 0.00 -0.26 0.00 0.00 64.21 62.78 2doe n SER 779 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2doe n GLY 780 N 1.02 2.55 2.43 5.00 0.00 -1.26 -5.14 105.19 109.78 2doe n GLY 780 Ca 0.07 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 2doe n GLY 780 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2doe n SER 781 N 0.00 -2.63 -3.60 1.61 3.41 -1.26 -4.97 113.62 106.18 2doe n SER 781 Ca 0.00 0.51 -0.01 0.00 -0.26 0.00 0.00 58.87 59.11 2doe n SER 781 Cb 0.00 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.32 2doe n SER 781 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2doe s SER 782 N -0.75 -0.04 -0.24 4.04 0.15 -1.26 -5.17 113.70 110.43 2doe s SER 782 Ca 0.43 -0.39 -0.12 0.00 0.70 0.00 0.00 55.95 56.56 2doe s SER 782 Cb -0.39 0.34 0.08 0.00 -1.71 0.00 0.00 66.02 64.35 2doe s SER 782 CO 0.49 -0.66 0.57 -0.83 1.20 0.00 0.00 173.24 174.01 2doe s GLY 783 N -3.30 -0.53 -0.23 9.45 0.00 -1.26 -5.15 107.32 106.31 2doe s GLY 783 Ca 0.20 2.05 -0.08 0.00 0.00 0.00 0.00 44.72 46.88 2doe s GLY 783 CO 0.01 2.28 0.50 -1.83 0.00 0.00 0.00 173.10 174.06 2doe s GLU 784 N 1.84 0.42 0.43 2.90 -1.05 -1.26 -4.25 118.70 117.73 2doe s GLU 784 Ca -0.08 1.15 0.06 0.00 -0.15 0.00 0.00 54.97 55.95 2doe s GLU 784 Cb -0.08 0.45 -0.06 0.00 -0.44 0.00 0.00 34.13 34.01 2doe s GLU 784 CO -0.17 -0.22 0.09 0.15 0.95 0.00 0.00 175.26 176.06 2doe s LYS 785 N 2.54 2.10 0.40 -4.83 1.02 -1.26 -5.01 119.74 114.70 2doe s LYS 785 Ca -0.04 -2.04 0.18 0.00 0.02 0.00 0.00 55.97 54.08 2doe s LYS 785 Cb -0.11 -1.78 1.08 0.00 -0.52 0.00 0.00 37.83 36.51 2doe s LYS 785 CO -0.15 -0.14 1.78 1.05 -0.92 0.00 0.00 175.35 176.97 2doe h GLU 786 N 1.54 0.40 -6.74 1.68 9.09 -2.04 -3.40 114.58 115.11 2doe h GLU 786 Ca -0.43 -0.02 -0.49 0.00 0.05 0.00 0.00 59.36 58.46 2doe h GLU 786 Cb 1.26 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 28.24 2doe h GLU 786 CO 0.75 0.27 0.23 0.16 0.05 0.00 0.00 179.01 180.47 2doe s ASP 787 N -5.33 7.19 -1.17 3.06 -4.77 -1.26 -4.96 116.67 109.43 2doe s ASP 787 Ca -0.09 1.63 -0.06 0.00 -3.30 0.00 0.00 52.55 50.73 2doe s ASP 787 Cb 0.25 -2.50 0.04 0.00 -1.09 0.00 0.00 42.92 39.62 2doe s ASP 787 CO 0.80 -0.03 2.65 -0.24 0.70 0.00 0.00 175.17 179.05 2doe n SER 788 N 0.59 7.79 -0.00 2.11 2.88 -1.26 -4.12 113.62 121.60 2doe n SER 788 Ca 0.00 -2.99 -0.00 0.00 -1.33 0.00 0.00 58.87 54.55 2doe n SER 788 Cb 0.51 -1.39 -0.00 0.00 -0.75 0.00 0.00 64.21 62.58 2doe n SER 788 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2doe n LYS 789 N 2.04 0.10 0.00 -1.46 4.76 -1.26 -4.70 118.16 117.64 2doe n LYS 789 Ca 0.63 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 56.19 2doe n LYS 789 Cb 0.33 -1.01 0.21 0.00 -1.84 0.00 0.00 35.03 32.72 2doe n LYS 789 CO 0.00 0.00 0.00 -2.37 -1.37 0.00 0.00 177.40 173.66 2doe n THR 790 N -2.51 0.00 -1.35 -0.18 5.66 -1.26 -3.97 114.28 110.67 2doe n THR 790 Ca -0.01 -0.05 -0.18 0.00 -3.05 0.00 0.00 64.05 60.75 2doe n THR 790 Cb 0.51 0.47 0.17 0.00 -1.55 0.00 0.00 70.33 69.93 2doe n THR 790 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 2doe n ARG 791 N -1.18 2.19 -0.03 1.09 1.85 -1.26 -4.61 116.66 114.71 2doe n ARG 791 Ca 0.07 -3.14 -0.12 0.00 -1.00 0.00 0.00 57.85 53.66 2doe n ARG 791 Cb 0.35 -2.07 -0.10 0.00 -1.05 0.00 0.00 32.46 29.58 2doe n ARG 791 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2doe h GLY 792 N 1.13 -0.04 -0.81 2.89 0.00 -1.85 -3.23 103.07 101.15 2doe h GLY 792 Ca 0.49 0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.96 2doe h GLY 792 CO 0.90 -0.02 -0.40 -2.09 0.00 0.00 0.00 176.54 174.93 2doe h GLU 793 N -0.82 -0.06 -0.34 4.80 4.57 -1.90 0.17 114.58 120.99 2doe h GLU 793 Ca -0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2doe h GLU 793 Cb 0.71 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.24 2doe h GLU 793 CO 0.01 -0.04 -0.16 -0.22 -1.18 0.00 0.00 179.01 177.42 2doe h LYS 794 N -0.06 -0.09 0.32 1.92 1.63 -1.91 -1.81 116.57 116.56 2doe h LYS 794 Ca 0.29 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 2doe h LYS 794 Cb 0.57 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.19 2doe h LYS 794 CO -0.88 -0.06 -0.45 0.82 -3.45 0.00 0.00 179.45 175.42 2doe h ILE 795 N -0.10 0.10 -0.76 2.00 2.04 -0.76 -2.20 117.51 117.83 2doe h ILE 795 Ca 0.17 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.18 2doe h ILE 795 Cb 0.36 0.10 -0.14 0.00 -0.74 0.00 0.00 36.82 36.40 2doe h ILE 795 CO -0.41 0.00 -0.22 0.50 0.00 0.00 0.00 178.15 178.02 2doe h LYS 796 N -0.83 -0.02 0.05 2.37 3.64 -0.71 -0.96 116.57 120.11 2doe h LYS 796 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2doe h LYS 796 Cb 0.77 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2doe h LYS 796 CO -0.14 -0.02 -0.09 1.03 -2.27 0.00 0.00 179.45 177.97 2doe h SER 797 N -0.02 -0.26 -0.91 4.20 0.87 -0.93 -2.43 113.55 114.08 2doe h SER 797 Ca 0.35 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 61.06 2doe h SER 797 Cb 0.57 0.09 -0.14 0.00 -0.44 0.00 0.00 62.40 62.48 2doe h SER 797 CO -0.79 -0.10 -0.43 -2.24 -0.53 0.00 0.00 176.83 172.73 2doe h ASP 798 N -0.15 -1.58 -0.85 6.23 3.04 -0.86 -0.21 116.42 122.04 2doe h ASP 798 Ca -0.01 0.30 0.08 0.00 -3.24 0.00 0.00 57.03 54.17 2doe h ASP 798 Cb 0.14 0.78 -0.11 0.00 -1.04 0.00 0.00 39.33 39.09 2doe h ASP 798 CO -0.03 -0.28 -0.57 0.15 -2.04 0.00 0.00 179.24 176.47 2doe h PHE 799 N -0.05 -1.79 -0.10 4.15 3.57 -0.99 -0.45 116.94 121.29 2doe h PHE 799 Ca 0.28 0.12 0.04 0.00 3.53 0.00 0.00 57.97 61.93 2doe h PHE 799 Cb 0.55 0.89 -0.06 0.00 2.79 0.00 0.00 35.95 40.12 2doe h PHE 799 CO -0.87 -0.40 -0.34 0.74 -2.23 0.00 0.00 178.31 175.21 2doe h PHE 800 N -0.10 -0.94 -0.89 0.41 0.04 -0.57 -2.31 116.94 112.58 2doe h PHE 800 Ca 0.15 0.04 0.09 0.00 2.80 0.00 0.00 57.97 61.05 2doe h PHE 800 Cb 0.47 0.43 -0.12 0.00 2.20 0.00 0.00 35.95 38.93 2doe h PHE 800 CO -0.94 -0.42 -0.55 0.93 -0.60 0.00 0.00 178.31 176.73 2doe h GLU 801 N -0.43 -0.07 0.04 1.51 4.39 -0.35 0.05 114.58 119.72 2doe h GLU 801 Ca 0.08 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.80 2doe h GLU 801 Cb 0.57 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 2doe h GLU 801 CO -0.34 -0.04 -0.29 1.25 -1.16 0.00 0.00 179.01 178.42 2doe h LEU 802 N -0.07 -0.89 -0.49 1.33 5.85 -0.93 0.26 115.31 120.37 2doe h LEU 802 Ca 0.17 0.10 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2doe h LEU 802 Cb 0.47 0.33 -0.06 0.00 0.37 0.00 0.00 40.66 41.77 2doe h LEU 802 CO -0.88 -0.30 -0.34 -0.07 -0.34 0.00 0.00 178.44 176.50 2doe h LEU 803 N -0.40 -1.23 -0.84 2.25 3.38 -0.81 0.23 115.31 117.89 2doe h LEU 803 Ca -0.00 0.18 0.20 0.00 0.09 0.00 0.00 57.88 58.35 2doe h LEU 803 Cb 0.41 0.53 -0.13 0.00 0.09 0.00 0.00 40.66 41.57 2doe h LEU 803 CO -0.17 -0.16 0.25 0.77 0.09 0.00 0.00 178.44 179.22 2doe h SER 804 N -0.06 0.09 -0.24 -0.43 4.64 -0.86 0.77 113.55 117.45 2doe h SER 804 Ca 0.08 0.17 0.07 0.00 -0.47 0.00 0.00 61.79 61.64 2doe h SER 804 Cb 0.27 0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2doe h SER 804 CO -0.50 -0.07 0.20 0.78 -0.87 0.00 0.00 176.83 176.37 2doe h ASN 805 N 0.28 0.00 -0.05 4.97 2.35 0.16 -1.90 115.58 121.38 2doe h ASN 805 Ca 0.51 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.22 2doe h ASN 805 Cb 0.95 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 2doe h ASN 805 CO -0.57 0.00 0.05 1.41 -1.65 0.00 0.00 177.43 176.66 2doe n HIS 806 N -4.20 0.17 -3.77 1.19 8.25 0.27 -4.81 115.22 112.33 2doe n HIS 806 Ca 0.03 -0.99 -0.24 0.00 -0.26 0.00 0.00 57.72 56.26 2doe n HIS 806 Cb 0.35 -0.50 -0.02 0.00 1.12 0.00 0.00 29.99 30.94 2doe n HIS 806 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2doe n HIS 807 N 1.16 -0.78 -1.25 4.41 -0.00 -0.71 -4.75 115.22 113.30 2doe n HIS 807 Ca 0.03 0.19 -0.37 0.00 0.46 0.00 0.00 57.72 58.04 2doe n HIS 807 Cb 0.52 -1.66 0.05 0.00 -0.12 0.00 0.00 29.99 28.78 2doe n HIS 807 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2doe n LEU 808 N -3.29 -1.21 -4.34 0.27 4.77 -1.24 -5.01 117.00 106.95 2doe n LEU 808 Ca -0.13 0.57 -0.18 0.00 -0.03 0.00 0.00 56.01 56.24 2doe n LEU 808 Cb 0.38 -1.06 -0.10 0.00 -2.33 0.00 0.00 43.42 40.31 2doe n LEU 808 CO 0.48 -3.91 -0.23 1.51 -1.33 0.00 0.00 177.39 173.91 2doe s ASP 809 N -1.26 1.45 0.39 -1.43 1.47 -1.26 -5.03 116.67 111.01 2doe s ASP 809 Ca 0.60 -1.48 0.16 0.00 1.18 0.00 0.00 52.55 53.02 2doe s ASP 809 Cb -0.38 0.28 0.81 0.00 -0.34 0.00 0.00 42.92 43.29 2doe s ASP 809 CO 0.63 -0.81 1.83 -1.28 0.68 0.00 0.00 175.17 176.22 2doe h SER 810 N 2.27 0.00 -0.67 2.11 0.87 -1.95 -2.70 113.55 113.48 2doe h SER 810 Ca -0.36 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.87 2doe h SER 810 Cb 1.25 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.01 2doe h SER 810 CO 0.57 0.34 0.29 0.00 -0.53 0.00 0.00 176.83 177.50 2doe n GLN 811 N -3.88 2.20 -1.96 2.24 6.02 -1.26 -4.99 117.38 115.75 2doe n GLN 811 Ca -0.01 -3.09 -0.42 0.00 -0.01 0.00 0.00 57.00 53.46 2doe n GLN 811 Cb 0.41 -2.01 -0.03 0.00 1.02 0.00 0.00 30.24 29.63 2doe n GLN 811 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2doe s SER 812 N -1.85 6.63 0.03 1.08 0.15 -1.02 -4.99 113.70 113.74 2doe s SER 812 Ca 0.51 2.45 -0.12 0.00 0.70 0.00 0.00 55.95 59.48 2doe s SER 812 Cb 0.44 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 62.13 2doe s SER 812 CO 0.06 -0.87 0.40 -0.60 1.20 0.00 0.00 173.24 173.43 2doe s ARG 813 N 2.60 3.83 0.03 5.44 6.06 -1.26 -5.00 118.95 130.64 2doe s ARG 813 Ca 0.73 0.29 -0.21 0.00 -2.50 0.00 0.00 55.73 54.03 2doe s ARG 813 Cb -0.39 -3.11 -0.15 0.00 0.06 0.00 0.00 34.95 31.35 2doe s ARG 813 CO 0.32 0.63 1.33 2.35 -2.50 0.00 0.00 175.30 177.43 2doe h TRP 814 N 4.25 0.35 -0.78 5.12 -0.00 -1.98 -1.35 115.95 121.57 2doe h TRP 814 Ca -0.51 -0.10 0.13 0.00 -0.00 0.00 0.00 58.89 58.41 2doe h TRP 814 Cb 1.21 -0.07 -0.09 0.00 -0.00 0.00 0.00 29.16 30.21 2doe h TRP 814 CO 0.69 0.70 0.36 1.03 -0.00 0.00 0.00 178.44 181.22 2doe h SER 815 N -0.10 0.42 0.32 2.65 0.87 -1.98 0.26 113.55 115.98 2doe h SER 815 Ca 0.02 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 2doe h SER 815 Cb 0.64 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.63 2doe h SER 815 CO 0.03 0.19 -0.15 0.11 -0.53 0.00 0.00 176.83 176.48 2doe h LYS 816 N 0.55 -0.41 -1.06 2.24 1.79 -1.97 -1.86 116.57 115.85 2doe h LYS 816 Ca 0.41 0.03 0.31 0.00 -2.18 0.00 0.00 60.65 59.22 2doe h LYS 816 Cb 0.56 0.09 -0.13 0.00 -1.58 0.00 0.00 32.23 31.18 2doe h LYS 816 CO -0.35 -0.27 0.64 -0.24 -1.08 0.00 0.00 179.45 178.15 2doe h VAL 817 N -0.83 0.39 -0.25 0.50 3.04 -1.11 0.31 116.25 118.31 2doe h VAL 817 Ca -0.04 -0.13 -0.09 0.00 -1.01 0.00 0.00 66.70 65.43 2doe h VAL 817 Cb 0.32 -0.02 -0.00 0.00 -2.01 0.00 0.00 31.29 29.59 2doe h VAL 817 CO 0.07 0.07 -0.20 0.50 -1.01 0.00 0.00 177.57 177.00 2doe h LYS 818 N 0.37 0.57 0.00 4.17 3.64 -0.54 -0.06 116.57 124.72 2doe h LYS 818 Ca 0.69 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2doe h LYS 818 Cb 1.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 2doe h LYS 818 CO -0.47 0.87 0.00 -3.47 -2.27 0.00 0.00 179.45 174.11 2doe n ASP 819 N -4.39 0.38 -0.08 4.20 2.03 0.86 -0.24 116.55 119.31 2doe n ASP 819 Ca -0.04 0.59 -0.15 0.00 0.52 0.00 0.00 54.79 55.71 2doe n ASP 819 Cb 0.41 -0.67 -0.14 0.00 -0.72 0.00 0.00 41.12 40.00 2doe n ASP 819 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2doe n LYS 820 N -1.92 0.68 0.03 -0.67 5.02 0.18 -4.40 118.16 117.09 2doe n LYS 820 Ca 0.03 0.15 -0.08 0.00 -2.02 0.00 0.00 58.31 56.39 2doe n LYS 820 Cb 0.20 -1.60 -0.13 0.00 -0.02 0.00 0.00 35.03 33.48 2doe n LYS 820 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 2doe h VAL 821 N 0.01 1.35 -0.85 -0.18 -1.51 -0.78 -3.32 116.25 110.97 2doe h VAL 821 Ca -0.50 -3.12 0.25 0.00 -1.23 0.00 0.00 66.70 62.10 2doe h VAL 821 Cb 2.05 2.67 -0.03 0.00 -2.13 0.00 0.00 31.29 33.84 2doe h VAL 821 CO 0.01 0.77 1.12 1.05 -1.23 0.00 0.00 177.57 179.29 2doe h GLU 822 N 0.00 0.00 -0.92 5.19 4.11 -0.82 1.75 114.58 123.89 2doe h GLU 822 Ca -0.13 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.26 2doe h GLU 822 Cb 1.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.10 2doe h GLU 822 CO 0.11 0.00 0.05 0.43 0.07 0.00 0.00 179.01 179.67 2doe n SER 823 N -3.19 2.50 -4.01 3.06 7.64 -1.25 -4.79 113.62 113.57 2doe n SER 823 Ca 0.19 -2.29 -0.18 0.00 1.01 0.00 0.00 58.87 57.60 2doe n SER 823 Cb 1.38 -0.56 -0.15 0.00 -1.01 0.00 0.00 64.21 63.87 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 -0.02 1.01 0.31 6.43 2.15 0.60 -5.04 116.67 122.11 2doe s ASP 824 Ca 0.14 -0.16 0.10 0.00 0.43 0.00 0.00 52.55 53.06 2doe s ASP 824 Cb 0.11 -0.12 0.49 0.00 -0.30 0.00 0.00 42.92 43.11 2doe s ASP 824 CO 0.04 0.10 1.70 1.55 -0.17 0.00 0.00 175.17 178.39 2doe h PRO 825 N 5.95 0.09 -0.49 4.34 0.13 -1.87 -3.02 132.00 137.13 2doe h PRO 825 Ca -0.30 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2doe h PRO 825 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 2doe h PRO 825 CO 0.50 0.55 0.30 0.00 -0.23 0.00 0.00 178.00 179.12 2doe h ARG 826 N 0.07 0.65 0.00 0.86 3.08 -1.96 -1.02 114.38 116.06 2doe h ARG 826 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2doe h ARG 826 Cb 0.87 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.78 2doe h ARG 826 CO 0.07 0.45 -0.10 -0.92 -1.07 0.00 0.00 179.97 178.40 2doe h TYR 827 N 0.66 0.00 0.00 3.04 5.03 -1.82 -1.41 116.97 122.48 2doe h TYR 827 Ca 0.18 0.00 -0.09 0.00 2.58 0.00 0.00 58.73 61.39 2doe h TYR 827 Cb -0.04 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.23 2doe h TYR 827 CO 0.00 0.10 -0.45 0.87 -1.32 0.00 0.00 178.16 177.36 2doe h LYS 828 N 0.00 0.00 -0.93 1.82 1.57 -1.30 -3.24 116.57 114.49 2doe h LYS 828 Ca -0.00 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.04 2doe h LYS 828 Cb 0.24 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.41 2doe h LYS 828 CO 0.01 0.45 0.40 0.00 -0.57 0.00 0.00 179.45 179.74 2doe h ALA 829 N 1.55 1.57 -2.63 3.86 0.00 -1.22 -3.39 119.26 119.01 2doe h ALA 829 Ca -0.00 0.20 -0.52 0.00 0.00 0.00 0.00 54.91 54.59 2doe h ALA 829 Cb 1.08 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2doe h ALA 829 CO 0.06 -0.48 0.48 0.08 0.00 0.00 0.00 179.25 179.39 2doe s VAL 830 N -5.82 3.91 -0.17 0.00 1.01 -1.22 -4.96 120.40 113.14 2doe s VAL 830 Ca -0.11 1.61 -0.12 0.00 0.00 0.00 0.00 61.98 63.35 2doe s VAL 830 Cb 0.27 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 2doe s VAL 830 CO 0.78 0.26 -0.28 0.47 0.00 0.00 0.00 175.10 176.33 2doe n ASP 831 N 2.57 1.62 -4.72 3.32 9.92 -1.26 -4.97 116.55 123.02 2doe n ASP 831 Ca 0.03 0.27 -0.42 0.00 -0.53 0.00 0.00 54.79 54.15 2doe n ASP 831 Cb 0.46 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.27 2doe n ASP 831 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2doe s SER 832 N -6.52 6.93 0.19 -2.24 0.15 -1.26 -4.93 113.70 106.02 2doe s SER 832 Ca -0.27 2.26 -0.09 0.00 0.70 0.00 0.00 55.95 58.56 2doe s SER 832 Cb 0.08 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.88 2doe s SER 832 CO 0.36 -0.55 1.64 -1.28 1.20 0.00 0.00 173.24 174.61 2doe h SER 833 N 6.29 1.03 -1.00 5.45 0.87 -2.01 -2.90 113.55 121.29 2doe h SER 833 Ca -0.43 -0.31 0.20 0.00 -1.23 0.00 0.00 61.79 60.02 2doe h SER 833 Cb 1.21 -0.28 -0.10 0.00 -0.44 0.00 0.00 62.40 62.79 2doe h SER 833 CO 0.82 1.10 0.61 0.77 -0.53 0.00 0.00 176.83 179.60 2doe h SER 834 N 0.95 0.72 -0.02 6.23 4.64 -2.00 -0.88 113.55 123.20 2doe h SER 834 Ca 0.16 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2doe h SER 834 Cb 0.59 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.64 2doe h SER 834 CO 0.04 0.25 0.01 0.24 -0.87 0.00 0.00 176.83 176.49 2doe h MET 835 N 0.70 0.02 -0.33 4.77 2.07 -1.91 0.22 114.93 120.48 2doe h MET 835 Ca 0.57 -0.00 0.07 0.00 -2.07 0.00 0.00 59.70 58.26 2doe h MET 835 Cb 0.97 -0.00 -0.06 0.00 -1.87 0.00 0.00 31.60 30.64 2doe h MET 835 CO -0.36 0.16 -0.08 0.00 1.07 0.00 0.00 176.91 177.71 2doe h ARG 836 N -0.12 0.00 0.18 1.72 3.08 -1.19 0.54 114.38 118.59 2doe h ARG 836 Ca 0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2doe h ARG 836 Cb 0.15 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2doe h ARG 836 CO -0.00 0.00 -0.09 0.93 -1.07 0.00 0.00 179.97 179.75 2doe h GLU 837 N 0.00 -0.23 0.33 0.04 5.08 -1.29 -2.05 114.58 116.47 2doe h GLU 837 Ca 0.16 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2doe h GLU 837 Cb 0.24 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2doe h GLU 837 CO -0.34 0.09 -0.27 0.22 -1.00 0.00 0.00 179.01 177.71 2doe h ASP 838 N -0.56 -0.72 -0.76 1.42 1.82 -0.28 0.18 116.42 117.52 2doe h ASP 838 Ca -0.02 0.05 0.15 0.00 -0.39 0.00 0.00 57.03 56.82 2doe h ASP 838 Cb 0.42 0.23 -0.14 0.00 0.68 0.00 0.00 39.33 40.51 2doe h ASP 838 CO 0.04 -0.38 -0.19 -0.07 -1.61 0.00 0.00 179.24 177.03 2doe h LEU 839 N -0.58 -0.72 0.70 2.28 3.38 -0.02 0.34 115.31 120.69 2doe h LEU 839 Ca -0.04 0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2doe h LEU 839 Cb 0.49 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2doe h LEU 839 CO 0.00 -0.25 -0.38 0.15 0.09 0.00 0.00 178.44 178.05 2doe h PHE 840 N -0.00 -1.01 -1.03 1.13 3.57 -1.17 -2.32 116.94 116.11 2doe h PHE 840 Ca 0.36 -0.02 0.26 0.00 3.53 0.00 0.00 57.97 62.10 2doe h PHE 840 Cb 0.56 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.55 2doe h PHE 840 CO -0.61 -0.59 0.66 0.87 -2.23 0.00 0.00 178.31 176.41 2doe h LYS 841 N -0.99 0.41 0.63 1.11 1.57 0.13 -1.32 116.57 118.11 2doe h LYS 841 Ca -0.09 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 2doe h LYS 841 Cb 0.78 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.99 2doe h LYS 841 CO 0.12 0.27 -0.39 1.96 -0.57 0.00 0.00 179.45 180.85 2doe h GLN 842 N 0.42 -0.93 0.07 3.15 4.20 -0.01 0.66 115.11 122.68 2doe h GLN 842 Ca 0.59 0.06 0.02 0.00 0.06 0.00 0.00 58.65 59.38 2doe h GLN 842 Cb 1.43 0.21 -0.05 0.00 0.30 0.00 0.00 27.48 29.38 2doe h GLN 842 CO -0.30 -0.62 -0.40 -0.92 -0.67 0.00 0.00 178.83 175.92 2doe h TYR 843 N -0.96 -1.13 -0.33 2.96 5.03 -0.72 -2.05 116.97 119.76 2doe h TYR 843 Ca -0.08 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.34 2doe h TYR 843 Cb 0.78 0.49 -0.07 0.00 1.55 0.00 0.00 36.73 39.48 2doe h TYR 843 CO -0.10 -0.50 -0.17 0.82 -1.32 0.00 0.00 178.16 176.90 2doe h ILE 844 N -0.61 0.50 -0.81 1.81 1.08 -1.39 -1.19 117.51 116.91 2doe h ILE 844 Ca 0.03 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.70 2doe h ILE 844 Cb 0.66 0.50 -0.13 0.00 -3.07 0.00 0.00 36.82 34.78 2doe h ILE 844 CO -0.26 0.00 0.19 -0.33 -0.69 0.00 0.00 178.15 177.05 2doe h GLU 845 N -0.12 0.23 -0.27 2.37 5.08 -0.41 0.60 114.58 122.05 2doe h GLU 845 Ca 0.17 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2doe h GLU 845 Cb 0.37 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2doe h GLU 845 CO -0.40 0.15 0.17 -0.22 -1.00 0.00 0.00 179.01 177.71 2doe h LYS 846 N 0.23 0.37 0.27 2.33 3.64 -0.54 0.01 116.57 122.88 2doe h LYS 846 Ca 0.48 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.82 2doe h LYS 846 Cb 0.89 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.61 2doe h LYS 846 CO -0.59 0.27 -0.31 0.82 -2.27 0.00 0.00 179.45 177.37 2doe h ILE 847 N 0.36 0.00 -0.85 2.00 2.04 -0.34 -2.65 117.51 118.07 2doe h ILE 847 Ca 0.10 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.09 2doe h ILE 847 Cb -0.01 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 35.98 2doe h ILE 847 CO -0.02 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.59 2doe h ALA 848 N -1.20 1.25 -0.21 1.87 0.00 -1.32 -1.19 119.26 118.45 2doe h ALA 848 Ca -0.03 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 2doe h ALA 848 Cb 0.52 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 2doe h ALA 848 CO -0.06 -0.02 0.12 1.17 0.00 0.00 0.00 179.25 180.46 2doe n LYS 849 N -4.82 1.58 -2.23 0.00 4.81 -0.01 -4.25 118.16 113.24 2doe n LYS 849 Ca 0.16 -0.93 -0.23 0.00 -0.87 0.00 0.00 58.31 56.44 2doe n LYS 849 Cb 0.38 -1.49 0.02 0.00 0.02 0.00 0.00 35.03 33.96 2doe n LYS 849 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2doe n ASN 850 N 1.22 4.51 -4.98 3.14 5.15 -0.45 -4.88 115.26 118.96 2doe n ASN 850 Ca 0.22 -3.58 -0.19 0.00 -0.60 0.00 0.00 54.58 50.43 2doe n ASN 850 Cb 0.60 -0.39 0.03 0.00 -0.53 0.00 0.00 39.78 39.49 2doe n ASN 850 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2doe s LEU 851 N -3.58 3.44 0.27 1.20 1.43 -1.26 -5.08 118.68 115.10 2doe s LEU 851 Ca 0.48 -0.32 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 2doe s LEU 851 Cb 0.40 -2.61 -0.09 0.00 0.03 0.00 0.00 46.19 43.92 2doe s LEU 851 CO -0.03 -1.00 1.03 -1.81 0.23 0.00 0.00 176.35 174.77 2doe s ASP 852 N -4.42 7.39 -0.01 2.29 1.01 -1.26 -5.06 116.67 116.62 2doe s ASP 852 Ca 0.57 2.13 0.02 0.00 0.71 0.00 0.00 52.55 55.99 2doe s ASP 852 Cb -0.10 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.21 2doe s ASP 852 CO 0.36 -0.04 -0.08 -0.94 0.21 0.00 0.00 175.17 174.68 2doe s SER 853 N -1.04 0.91 -0.62 0.27 1.04 -1.26 -5.04 113.70 107.96 2doe s SER 853 Ca 0.44 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2doe s SER 853 Cb -0.29 -0.11 0.43 0.00 0.10 0.00 0.00 66.02 66.16 2doe s SER 853 CO 0.37 0.09 1.83 -0.24 0.98 0.00 0.00 173.24 176.27 2doe n SER 854 N 2.90 7.01 0.00 7.02 2.88 -1.26 -4.73 113.62 127.45 2doe n SER 854 Ca -0.13 -3.79 0.00 0.00 -1.33 0.00 0.00 58.87 53.62 2doe n SER 854 Cb 0.57 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2doe n SER 854 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doe n GLY 855 N -0.79 0.20 3.61 0.46 0.00 -1.26 -5.09 105.19 102.31 2doe n GLY 855 Ca 0.57 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2doe n GLY 855 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2doe s PRO 856 N 0.00 3.48 0.03 1.61 0.04 -1.26 -4.91 135.00 134.00 2doe s PRO 856 Ca 0.00 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 2doe s PRO 856 Cb 0.00 -4.13 -0.17 0.00 0.04 0.00 0.00 34.50 30.24 2doe s PRO 856 CO 0.00 -1.68 1.41 0.77 0.04 0.00 0.00 177.00 177.54 2doe h SER 857 N 11.97 -0.33 -2.80 6.66 0.02 -2.02 -3.44 113.55 123.61 2doe h SER 857 Ca -0.32 -0.13 -0.60 0.00 -0.84 0.00 0.00 61.79 59.90 2doe h SER 857 Cb 1.15 0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.74 2doe h SER 857 CO 1.04 -0.05 -0.49 -0.44 -1.14 0.00 0.00 176.83 175.74 2doe s SER 858 N -5.02 6.33 0.00 3.07 0.01 -1.26 -5.32 113.70 111.51 2doe s SER 858 Ca -0.15 0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2doe s SER 858 Cb 0.03 -1.93 0.00 0.00 0.21 0.00 0.00 66.02 64.33 2doe s SER 858 CO 0.59 0.13 0.28 0.61 0.41 0.00 0.00 173.24 175.27