#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 4.20 -0.20 1.61 0.01 -1.26 -5.12 113.70 112.95 2doe s SER 778 Ca 0.00 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.72 2doe s SER 778 Cb 0.00 -0.71 0.06 0.00 0.21 0.00 0.00 66.02 65.58 2doe s SER 778 CO 0.00 0.15 0.05 -0.94 0.41 0.00 0.00 173.24 172.91 2doe s SER 779 N -2.43 2.83 0.00 2.44 1.04 -1.26 -5.05 113.70 111.27 2doe s SER 779 Ca 0.22 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2doe s SER 779 Cb -0.10 -0.51 0.00 0.00 0.10 0.00 0.00 66.02 65.51 2doe s SER 779 CO 0.13 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.64 2doe n GLY 780 N 5.11 0.59 2.98 7.32 0.00 -1.26 -4.98 105.19 114.95 2doe n GLY 780 Ca -0.08 -1.33 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 2doe n GLY 780 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2doe s SER 781 N -4.00 0.67 -0.03 1.61 0.15 -1.26 -5.07 113.70 105.77 2doe s SER 781 Ca 0.00 -0.21 -0.18 0.00 0.70 0.00 0.00 55.95 56.26 2doe s SER 781 Cb 0.00 -0.04 -0.11 0.00 -1.71 0.00 0.00 66.02 64.16 2doe s SER 781 CO 0.00 -0.01 0.76 0.28 1.20 0.00 0.00 173.24 175.48 2doe h SER 782 N 5.63 -0.49 0.00 5.45 0.02 -2.03 -3.47 113.55 118.65 2doe h SER 782 Ca -0.30 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2doe h SER 782 Cb 1.19 0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2doe h SER 782 CO 0.48 -0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.72 2doe n GLY 783 N 0.20 0.96 3.72 -3.77 0.00 -1.26 -4.40 105.19 100.64 2doe n GLY 783 Ca -0.08 -0.51 -0.64 0.00 0.00 0.00 0.00 46.02 44.79 2doe n GLY 783 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2doe n GLU 784 N 3.72 0.39 0.19 1.61 1.02 -1.26 -4.85 120.64 121.46 2doe n GLU 784 Ca 0.00 0.14 -0.14 0.00 -0.02 0.00 0.00 57.16 57.14 2doe n GLU 784 Cb 0.00 -1.70 -0.08 0.00 -0.02 0.00 0.00 31.44 29.63 2doe n GLU 784 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2doe h LYS 785 N 5.61 -0.46 -5.27 3.49 1.57 -2.01 -3.42 116.57 116.09 2doe h LYS 785 Ca -0.45 0.03 -0.64 0.00 -1.87 0.00 0.00 60.65 57.72 2doe h LYS 785 Cb 1.36 0.10 -0.24 0.00 0.08 0.00 0.00 32.23 33.53 2doe h LYS 785 CO 0.96 -0.19 -0.70 -1.83 -0.57 0.00 0.00 179.45 177.12 2doe s GLU 786 N -5.28 3.57 -0.08 3.15 -1.05 -1.26 -5.01 118.70 112.74 2doe s GLU 786 Ca -0.15 -0.57 0.02 0.00 -0.15 0.00 0.00 54.97 54.12 2doe s GLU 786 Cb 0.03 -2.86 0.01 0.00 -0.44 0.00 0.00 34.13 30.87 2doe s GLU 786 CO 0.59 0.18 -0.13 -0.51 0.95 0.00 0.00 175.26 176.33 2doe s ASP 787 N 0.50 2.01 0.03 0.83 1.01 -1.26 -5.06 116.67 114.73 2doe s ASP 787 Ca -0.05 -0.34 -0.19 0.00 0.71 0.00 0.00 52.55 52.68 2doe s ASP 787 Cb -0.15 -0.92 -0.10 0.00 1.01 0.00 0.00 42.92 42.76 2doe s ASP 787 CO 0.03 0.03 1.29 0.28 0.21 0.00 0.00 175.17 177.01 2doe h SER 788 N 7.08 -0.62 0.18 0.27 0.02 -1.99 -2.14 113.55 116.34 2doe h SER 788 Ca -0.30 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2doe h SER 788 Cb 1.19 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.90 2doe h SER 788 CO 0.47 -0.40 -0.09 0.50 -1.14 0.00 0.00 176.83 176.18 2doe h LYS 789 N -0.64 -0.23 -1.99 3.45 3.11 -2.06 -3.23 116.57 114.97 2doe h LYS 789 Ca -0.06 0.02 -0.24 0.00 -2.81 0.00 0.00 60.65 57.55 2doe h LYS 789 Cb 0.51 0.05 -0.09 0.00 -1.00 0.00 0.00 32.23 31.70 2doe h LYS 789 CO 0.08 0.15 -0.21 2.41 -2.81 0.00 0.00 179.45 179.06 2doe n THR 790 N -5.01 3.02 -1.16 1.00 -1.04 -1.25 -4.66 114.28 105.18 2doe n THR 790 Ca -0.09 -1.75 -0.18 0.00 -2.04 0.00 0.00 64.05 59.99 2doe n THR 790 Cb 0.25 -1.89 -0.09 0.00 -1.82 0.00 0.00 70.33 66.78 2doe n THR 790 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2doe n ARG 791 N 2.11 2.07 -0.03 -2.82 1.85 -0.81 -4.40 116.66 114.65 2doe n ARG 791 Ca 0.42 -1.57 -0.17 0.00 -1.00 0.00 0.00 57.85 55.54 2doe n ARG 791 Cb 0.83 -1.94 -0.14 0.00 -1.05 0.00 0.00 32.46 30.16 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 4.11 0.13 -0.80 2.89 0.00 -1.85 -3.32 103.07 104.22 2doe h GLY 792 Ca 0.27 -0.33 0.17 0.00 0.00 0.00 0.00 47.33 47.44 2doe h GLY 792 CO 0.55 0.29 -0.18 1.18 0.00 0.00 0.00 176.54 178.37 2doe n GLU 793 N -4.41 -0.07 0.14 4.80 4.71 -1.26 -0.30 120.64 124.25 2doe n GLU 793 Ca -0.13 1.25 -0.06 0.00 -0.01 0.00 0.00 57.16 58.21 2doe n GLU 793 Cb 0.62 -1.88 -0.03 0.00 -1.01 0.00 0.00 31.44 29.15 2doe n GLU 793 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 2doe h LYS 794 N 0.00 -0.35 -0.84 3.49 1.63 -1.93 -2.05 116.57 116.52 2doe h LYS 794 Ca 0.40 0.02 0.18 0.00 -0.85 0.00 0.00 60.65 60.40 2doe h LYS 794 Cb 0.63 0.08 -0.16 0.00 -0.60 0.00 0.00 32.23 32.18 2doe h LYS 794 CO -0.82 -0.23 -0.15 0.82 -3.45 0.00 0.00 179.45 175.62 2doe h ILE 795 N -0.37 0.18 -0.69 2.00 2.04 -1.18 0.40 117.51 119.89 2doe h ILE 795 Ca -0.04 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 65.94 2doe h ILE 795 Cb 0.28 0.16 -0.09 0.00 -0.74 0.00 0.00 36.82 36.43 2doe h ILE 795 CO 0.06 0.00 0.25 0.50 0.00 0.00 0.00 178.15 178.96 2doe h LYS 796 N 0.02 0.40 0.62 2.37 3.64 -0.59 0.11 116.57 123.14 2doe h LYS 796 Ca 0.43 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 2doe h LYS 796 Cb 0.70 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 32.44 2doe h LYS 796 CO -0.84 0.26 -0.30 0.77 -2.27 0.00 0.00 179.45 177.07 2doe h SER 797 N 0.41 -0.71 -0.73 4.20 0.02 0.50 -2.35 113.55 114.89 2doe h SER 797 Ca 0.37 0.02 0.16 0.00 -0.84 0.00 0.00 61.79 61.51 2doe h SER 797 Cb 0.53 0.18 -0.13 0.00 0.14 0.00 0.00 62.40 63.13 2doe h SER 797 CO -0.38 -0.43 -0.00 0.44 -1.14 0.00 0.00 176.83 175.31 2doe h ASP 798 N -0.98 -0.35 0.12 3.07 3.32 -1.01 -0.21 116.42 120.38 2doe h ASP 798 Ca -0.09 0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.17 2doe h ASP 798 Cb 0.64 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 40.48 2doe h ASP 798 CO 0.14 -0.17 -0.43 0.15 -1.72 0.00 0.00 179.24 177.22 2doe h PHE 799 N 0.10 -1.20 -0.57 4.55 3.57 -0.76 -2.18 116.94 120.45 2doe h PHE 799 Ca 0.39 0.03 0.08 0.00 3.53 0.00 0.00 57.97 62.01 2doe h PHE 799 Cb 0.68 0.51 -0.07 0.00 2.79 0.00 0.00 35.95 39.86 2doe h PHE 799 CO -0.42 -0.52 0.21 0.74 -2.23 0.00 0.00 178.31 176.09 2doe h PHE 800 N -0.66 0.36 -0.40 0.41 0.04 -0.70 -1.98 116.94 114.01 2doe h PHE 800 Ca 0.02 0.03 0.07 0.00 2.80 0.00 0.00 57.97 60.89 2doe h PHE 800 Cb 0.69 -0.08 -0.09 0.00 2.20 0.00 0.00 35.95 38.67 2doe h PHE 800 CO -0.37 0.10 -0.42 0.93 -0.60 0.00 0.00 178.31 177.95 2doe h GLU 801 N 0.39 -0.31 0.28 1.51 5.08 -0.49 0.18 114.58 121.22 2doe h GLU 801 Ca 0.28 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2doe h GLU 801 Cb 0.33 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2doe h GLU 801 CO -0.28 -0.20 -0.25 1.25 -1.00 0.00 0.00 179.01 178.53 2doe h LEU 802 N -0.32 -0.65 -0.08 1.33 5.85 -0.97 -1.39 115.31 119.08 2doe h LEU 802 Ca 0.14 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.94 2doe h LEU 802 Cb 0.58 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 2doe h LEU 802 CO -0.57 -0.37 -0.41 -0.07 -0.34 0.00 0.00 178.44 176.69 2doe h LEU 803 N -0.54 -1.29 -1.00 2.25 3.38 -0.70 -0.50 115.31 116.90 2doe h LEU 803 Ca -0.01 0.15 0.24 0.00 0.09 0.00 0.00 57.88 58.35 2doe h LEU 803 Cb 0.49 0.50 -0.12 0.00 0.09 0.00 0.00 40.66 41.62 2doe h LEU 803 CO -0.03 -0.37 0.59 -1.28 0.09 0.00 0.00 178.44 177.44 2doe h SER 804 N -0.45 0.68 0.15 -0.43 0.87 -0.62 0.74 113.55 114.48 2doe h SER 804 Ca 0.02 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 2doe h SER 804 Cb 0.52 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2doe h SER 804 CO -0.32 0.11 -0.11 0.78 -0.53 0.00 0.00 176.83 176.77 2doe h ASN 805 N 0.59 0.00 0.00 6.23 4.21 0.03 -3.01 115.58 123.63 2doe h ASN 805 Ca 0.64 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 58.08 2doe h ASN 805 Cb 1.21 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.38 2doe h ASN 805 CO -0.47 0.11 -0.12 1.41 -1.29 0.00 0.00 177.43 177.07 2doe n HIS 806 N -4.16 0.00 -3.64 1.19 8.25 0.26 -4.75 115.22 112.37 2doe n HIS 806 Ca -0.03 -1.04 -0.19 0.00 -0.26 0.00 0.00 57.72 56.21 2doe n HIS 806 Cb 0.19 -0.91 -0.02 0.00 1.12 0.00 0.00 29.99 30.37 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 2.05 -0.63 -1.58 4.41 -0.00 -1.14 -4.70 115.22 113.64 2doe n HIS 807 Ca 0.17 0.16 -0.45 0.00 0.46 0.00 0.00 57.72 58.05 2doe n HIS 807 Cb 0.59 -1.32 -0.02 0.00 -0.12 0.00 0.00 29.99 29.11 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 -2.82 1.66 -4.64 0.27 4.77 -1.24 -4.99 117.00 110.00 2doe n LEU 808 Ca -0.11 1.17 -0.30 0.00 -0.03 0.00 0.00 56.01 56.75 2doe n LEU 808 Cb 0.30 -1.27 -0.08 0.00 -2.33 0.00 0.00 43.42 40.05 2doe n LEU 808 CO 0.38 -1.43 -0.22 1.51 -1.33 0.00 0.00 177.39 176.31 2doe s ASP 809 N -0.47 3.48 0.08 -1.43 -4.77 -1.26 -5.04 116.67 107.25 2doe s ASP 809 Ca 0.61 -1.70 -0.16 0.00 -3.30 0.00 0.00 52.55 48.00 2doe s ASP 809 Cb -0.73 0.59 -0.12 0.00 -1.09 0.00 0.00 42.92 41.57 2doe s ASP 809 CO 0.58 -0.93 1.36 0.77 0.70 0.00 0.00 175.17 177.65 2doe h SER 810 N 1.54 0.69 -0.74 2.11 4.64 -1.94 -3.09 113.55 116.76 2doe h SER 810 Ca -0.39 -0.52 -0.37 0.00 -0.47 0.00 0.00 61.79 60.04 2doe h SER 810 Cb 1.30 -0.20 -0.22 0.00 -0.31 0.00 0.00 62.40 62.97 2doe h SER 810 CO 0.64 1.08 0.47 1.67 -0.87 0.00 0.00 176.83 179.81 2doe n GLN 811 N -4.27 2.13 -1.87 4.77 7.27 -1.26 -4.95 117.38 119.20 2doe n GLN 811 Ca -0.05 -2.32 -0.42 0.00 0.07 0.00 0.00 57.00 54.27 2doe n GLN 811 Cb 0.51 -1.92 -0.03 0.00 2.41 0.00 0.00 30.24 31.21 2doe n GLN 811 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2doe s SER 812 N -0.75 6.57 -0.05 1.69 0.15 -1.17 -4.98 113.70 115.15 2doe s SER 812 Ca 0.44 2.49 -0.13 0.00 0.70 0.00 0.00 55.95 59.44 2doe s SER 812 Cb 0.36 -2.55 -0.05 0.00 -1.71 0.00 0.00 66.02 62.08 2doe s SER 812 CO 0.09 -0.95 0.35 -0.13 1.20 0.00 0.00 173.24 173.80 2doe s ARG 813 N 3.42 3.91 0.01 5.44 3.00 -1.26 -5.00 118.95 128.47 2doe s ARG 813 Ca 0.78 0.27 -0.11 0.00 0.00 0.00 0.00 55.73 56.66 2doe s ARG 813 Cb -0.39 -3.26 -0.06 0.00 0.00 0.00 0.00 34.95 31.23 2doe s ARG 813 CO 0.34 0.60 1.03 2.35 0.00 0.00 0.00 175.30 179.62 2doe h TRP 814 N 5.19 -0.37 -0.69 -0.53 -0.00 -1.98 -1.77 115.95 115.79 2doe h TRP 814 Ca -0.50 -0.01 0.28 0.00 -0.00 0.00 0.00 58.89 58.66 2doe h TRP 814 Cb 1.21 0.12 -0.12 0.00 -0.00 0.00 0.00 29.16 30.37 2doe h TRP 814 CO 0.70 -0.23 0.34 0.43 -0.00 0.00 0.00 178.44 179.68 2doe n SER 815 N -3.21 0.22 0.16 2.65 7.64 -1.26 0.04 113.62 119.85 2doe n SER 815 Ca -0.05 1.14 -0.07 0.00 1.01 0.00 0.00 58.87 60.90 2doe n SER 815 Cb 0.16 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.78 2doe n SER 815 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2doe h LYS 816 N 0.00 -0.44 -0.88 1.43 1.79 -1.96 -2.07 116.57 114.45 2doe h LYS 816 Ca 0.57 0.03 0.25 0.00 -2.18 0.00 0.00 60.65 59.32 2doe h LYS 816 Cb 1.49 0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 32.21 2doe h LYS 816 CO -0.54 -0.29 0.69 -0.24 -1.08 0.00 0.00 179.45 177.99 2doe h VAL 817 N -0.83 0.45 -0.05 0.50 3.04 0.52 0.16 116.25 120.03 2doe h VAL 817 Ca -0.05 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.51 2doe h VAL 817 Cb 0.35 0.51 0.01 0.00 -2.01 0.00 0.00 31.29 30.14 2doe h VAL 817 CO 0.08 0.00 -0.49 0.50 -1.01 0.00 0.00 177.57 176.65 2doe h LYS 818 N 0.00 0.42 0.00 4.17 3.64 -0.41 0.76 116.57 125.15 2doe h LYS 818 Ca 0.42 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2doe h LYS 818 Cb 1.79 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2doe h LYS 818 CO -0.00 1.03 0.00 0.22 -2.27 0.00 0.00 179.45 178.43 2doe h ASP 819 N -0.06 0.00 0.09 4.20 1.82 -0.02 0.85 116.42 123.31 2doe h ASP 819 Ca -0.05 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.22 2doe h ASP 819 Cb 1.16 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.13 2doe h ASP 819 CO 0.10 0.00 -2.20 1.17 -1.61 0.00 0.00 179.24 176.70 2doe n LYS 820 N -2.59 0.70 0.08 0.28 3.00 -0.23 -4.36 118.16 115.04 2doe n LYS 820 Ca 0.02 0.20 -0.10 0.00 -0.00 0.00 0.00 58.31 58.42 2doe n LYS 820 Cb 0.26 -1.63 -0.05 0.00 0.00 0.00 0.00 35.03 33.62 2doe n LYS 820 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2doe h VAL 821 N 0.03 1.51 -1.15 3.15 -1.51 -0.73 -3.25 116.25 114.30 2doe h VAL 821 Ca -0.49 -2.77 0.33 0.00 -1.23 0.00 0.00 66.70 62.54 2doe h VAL 821 Cb 1.99 2.59 -0.05 0.00 -2.13 0.00 0.00 31.29 33.70 2doe h VAL 821 CO 0.01 0.81 1.23 -1.84 -1.23 0.00 0.00 177.57 176.55 2doe n GLU 822 N -3.61 0.01 -0.25 5.19 -0.00 0.28 0.23 120.64 122.50 2doe n GLU 822 Ca -0.04 1.01 -0.02 0.00 -0.00 0.00 0.00 57.16 58.11 2doe n GLU 822 Cb 0.87 -2.48 0.07 0.00 -0.00 0.00 0.00 31.44 29.89 2doe n GLU 822 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2doe n SER 823 N -3.29 2.61 -4.01 -1.84 2.88 -1.23 -4.79 113.62 103.95 2doe n SER 823 Ca 0.26 -2.29 -0.18 0.00 -1.33 0.00 0.00 58.87 55.33 2doe n SER 823 Cb 1.57 -0.56 -0.15 0.00 -0.75 0.00 0.00 64.21 64.33 2doe n SER 823 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2doe s ASP 824 N 0.13 0.96 0.31 -3.46 2.15 0.64 -5.04 116.67 112.35 2doe s ASP 824 Ca 0.13 -0.15 0.10 0.00 0.43 0.00 0.00 52.55 53.06 2doe s ASP 824 Cb 0.10 -0.11 0.50 0.00 -0.30 0.00 0.00 42.92 43.11 2doe s ASP 824 CO 0.03 0.10 1.70 1.55 -0.17 0.00 0.00 175.17 178.39 2doe h PRO 825 N 5.95 0.07 -0.66 4.34 0.13 -1.86 -3.05 132.00 136.93 2doe h PRO 825 Ca -0.30 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2doe h PRO 825 Cb 1.18 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.28 2doe h PRO 825 CO 0.50 0.54 0.39 0.00 -0.23 0.00 0.00 178.00 179.20 2doe h ARG 826 N 0.06 0.89 0.00 0.86 3.08 -1.96 -1.41 114.38 115.91 2doe h ARG 826 Ca 0.00 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2doe h ARG 826 Cb 0.88 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 2doe h ARG 826 CO 0.07 0.63 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.66 2doe h TYR 827 N 0.91 0.00 0.00 3.04 5.03 -1.83 -0.62 116.97 123.50 2doe h TYR 827 Ca 0.24 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.43 2doe h TYR 827 Cb -0.03 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 2doe h TYR 827 CO 0.00 0.02 -0.55 0.87 -1.32 0.00 0.00 178.16 177.18 2doe h LYS 828 N 0.00 0.00 -0.78 1.82 1.57 -1.38 -3.27 116.57 114.54 2doe h LYS 828 Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 2doe h LYS 828 Cb 0.03 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.20 2doe h LYS 828 CO 0.00 0.55 -0.14 0.00 -0.57 0.00 0.00 179.45 179.29 2doe h ALA 829 N 1.45 0.60 -2.55 3.86 0.00 -1.05 -3.38 119.26 118.19 2doe h ALA 829 Ca -0.01 0.29 -0.53 0.00 0.00 0.00 0.00 54.91 54.67 2doe h ALA 829 Cb 1.14 0.55 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2doe h ALA 829 CO 0.07 -0.42 0.57 0.08 0.00 0.00 0.00 179.25 179.55 2doe s VAL 830 N -6.21 3.83 -0.21 0.00 1.01 -1.23 -4.95 120.40 112.63 2doe s VAL 830 Ca -0.14 1.38 -0.16 0.00 0.00 0.00 0.00 61.98 63.06 2doe s VAL 830 Cb 0.23 -3.88 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 2doe s VAL 830 CO 0.75 0.14 -0.22 0.47 0.00 0.00 0.00 175.10 176.25 2doe n ASP 831 N 3.48 1.91 -4.60 3.32 8.00 -1.26 -4.87 116.55 122.52 2doe n ASP 831 Ca 0.08 0.40 -0.43 0.00 0.71 0.00 0.00 54.79 55.55 2doe n ASP 831 Cb 0.45 -0.83 -0.02 0.00 -0.02 0.00 0.00 41.12 40.70 2doe n ASP 831 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2doe s SER 832 N -6.59 6.12 0.30 -2.24 0.01 -1.26 -4.87 113.70 105.16 2doe s SER 832 Ca -0.30 1.17 0.05 0.00 1.31 0.00 0.00 55.95 58.19 2doe s SER 832 Cb 0.08 -2.53 0.71 0.00 0.21 0.00 0.00 66.02 64.48 2doe s SER 832 CO 0.44 -1.55 1.79 0.77 0.41 0.00 0.00 173.24 175.10 2doe h SER 833 N 11.81 0.81 -1.03 2.44 4.64 -2.01 0.23 113.55 130.44 2doe h SER 833 Ca -0.31 0.09 0.26 0.00 -0.47 0.00 0.00 61.79 61.35 2doe h SER 833 Cb 1.14 -0.06 -0.11 0.00 -0.31 0.00 0.00 62.40 63.06 2doe h SER 833 CO 1.05 0.32 0.63 0.28 -0.87 0.00 0.00 176.83 178.23 2doe h SER 834 N 0.81 0.57 -0.08 4.97 0.02 -2.00 0.40 113.55 118.24 2doe h SER 834 Ca 0.57 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.62 2doe h SER 834 Cb 0.83 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.39 2doe h SER 834 CO -0.36 0.08 0.02 0.24 -1.14 0.00 0.00 176.83 175.67 2doe h MET 835 N 0.49 0.13 -0.36 3.45 2.07 -1.34 0.56 114.93 119.94 2doe h MET 835 Ca 0.63 -0.03 0.08 0.00 -2.07 0.00 0.00 59.70 58.31 2doe h MET 835 Cb 1.38 -0.02 -0.07 0.00 -1.87 0.00 0.00 31.60 31.02 2doe h MET 835 CO -0.41 0.33 -0.12 0.00 1.07 0.00 0.00 176.91 177.78 2doe h ARG 836 N -0.08 -0.04 0.47 1.72 3.08 -0.94 0.28 114.38 118.86 2doe h ARG 836 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 2doe h ARG 836 Cb 0.25 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2doe h ARG 836 CO 0.00 -0.03 -0.23 0.93 -1.07 0.00 0.00 179.97 179.58 2doe h GLU 837 N -0.04 -0.61 -0.03 0.04 5.08 -1.35 -1.95 114.58 115.72 2doe h GLU 837 Ca 0.18 0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2doe h GLU 837 Cb 0.32 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 2doe h GLU 837 CO -0.40 -0.30 -0.29 0.22 -1.00 0.00 0.00 179.01 177.24 2doe h ASP 838 N -0.95 -0.91 -0.62 1.42 3.58 -0.67 0.17 116.42 118.44 2doe h ASP 838 Ca -0.06 0.10 0.12 0.00 0.42 0.00 0.00 57.03 57.61 2doe h ASP 838 Cb 0.59 0.35 -0.12 0.00 1.72 0.00 0.00 39.33 41.87 2doe h ASP 838 CO 0.11 -0.27 -0.20 -0.07 -2.88 0.00 0.00 179.24 175.92 2doe h LEU 839 N -0.35 -0.72 0.30 2.28 3.38 -0.56 -0.11 115.31 119.54 2doe h LEU 839 Ca 0.01 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 2doe h LEU 839 Cb 0.38 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2doe h LEU 839 CO -0.21 -0.24 -0.34 0.15 0.09 0.00 0.00 178.44 177.89 2doe h PHE 840 N -0.04 -0.96 -0.91 1.13 3.57 -0.78 -1.94 116.94 117.02 2doe h PHE 840 Ca 0.29 0.01 0.25 0.00 3.53 0.00 0.00 57.97 62.05 2doe h PHE 840 Cb 0.49 0.38 -0.14 0.00 2.79 0.00 0.00 35.95 39.47 2doe h PHE 840 CO -0.54 -0.45 0.33 0.87 -2.23 0.00 0.00 178.31 176.29 2doe h LYS 841 N -0.65 0.25 0.32 1.11 1.57 -0.12 -0.55 116.57 118.50 2doe h LYS 841 Ca -0.04 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2doe h LYS 841 Cb 0.58 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.80 2doe h LYS 841 CO -0.06 0.17 -0.40 1.96 -0.57 0.00 0.00 179.45 180.54 2doe h GLN 842 N 0.26 -0.74 -0.16 3.15 4.20 -0.52 -0.17 115.11 121.13 2doe h GLN 842 Ca 0.59 0.05 0.05 0.00 0.06 0.00 0.00 58.65 59.40 2doe h GLN 842 Cb 1.22 0.17 -0.07 0.00 0.30 0.00 0.00 27.48 29.10 2doe h GLN 842 CO -0.63 -0.49 -0.34 -0.92 -0.67 0.00 0.00 178.83 175.77 2doe h TYR 843 N -0.77 -0.96 -0.58 2.96 5.03 -0.37 -1.61 116.97 120.67 2doe h TYR 843 Ca -0.02 0.04 0.11 0.00 2.58 0.00 0.00 58.73 61.45 2doe h TYR 843 Cb 0.71 0.45 -0.09 0.00 1.55 0.00 0.00 36.73 39.35 2doe h TYR 843 CO -0.26 -0.41 0.09 0.82 -1.32 0.00 0.00 178.16 177.08 2doe h ILE 844 N -0.40 0.62 -0.84 1.81 1.08 -1.18 -0.44 117.51 118.15 2doe h ILE 844 Ca 0.10 -0.07 0.14 0.00 -0.39 0.00 0.00 64.86 64.64 2doe h ILE 844 Cb 0.56 0.38 -0.09 0.00 -3.07 0.00 0.00 36.82 34.60 2doe h ILE 844 CO -0.38 0.04 0.43 -0.33 -0.69 0.00 0.00 178.15 177.21 2doe h GLU 845 N 0.22 0.60 -0.25 2.37 4.39 -0.09 -1.28 114.58 120.54 2doe h GLU 845 Ca 0.30 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.95 2doe h GLU 845 Cb 0.46 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.96 2doe h GLU 845 CO -0.42 0.40 0.09 -0.22 -1.16 0.00 0.00 179.01 177.70 2doe h LYS 846 N 0.62 0.37 0.17 2.33 3.64 -0.43 -1.23 116.57 122.04 2doe h LYS 846 Ca 0.45 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2doe h LYS 846 Cb 0.63 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2doe h LYS 846 CO -0.36 0.42 -0.22 0.82 -2.27 0.00 0.00 179.45 177.84 2doe h ILE 847 N 0.24 0.00 -0.70 2.00 2.04 -0.53 -1.55 117.51 119.01 2doe h ILE 847 Ca 0.08 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.08 2doe h ILE 847 Cb 0.19 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.17 2doe h ILE 847 CO -0.01 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.35 2doe h ALA 848 N -1.31 0.92 -0.51 1.87 0.00 -1.41 -0.29 119.26 118.53 2doe h ALA 848 Ca -0.02 0.14 -0.39 0.00 0.00 0.00 0.00 54.91 54.63 2doe h ALA 848 Cb 0.36 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.16 2doe h ALA 848 CO -0.06 -0.28 0.42 1.63 0.00 0.00 0.00 179.25 180.96 2doe n LYS 849 N -5.09 2.04 -1.58 0.00 4.76 -0.47 -4.52 118.16 113.29 2doe n LYS 849 Ca 0.13 -1.88 -0.34 0.00 -2.87 0.00 0.00 58.31 53.34 2doe n LYS 849 Cb 0.40 -1.82 0.06 0.00 -1.84 0.00 0.00 35.03 31.84 2doe n LYS 849 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2doe n ASN 850 N 0.49 7.22 -3.92 4.39 5.15 -0.12 -4.85 115.26 123.62 2doe n ASN 850 Ca 0.38 -3.79 -0.18 0.00 -0.60 0.00 0.00 54.58 50.39 2doe n ASN 850 Cb 0.58 -0.90 -0.09 0.00 -0.53 0.00 0.00 39.78 38.84 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 -3.84 1.59 -0.04 1.20 1.02 -1.26 -5.08 118.68 112.26 2doe s LEU 851 Ca 0.60 -1.56 0.01 0.00 0.02 0.00 0.00 54.13 53.20 2doe s LEU 851 Cb 0.48 0.29 0.02 0.00 0.02 0.00 0.00 46.19 47.00 2doe s LEU 851 CO -0.09 -0.91 -0.06 -1.81 0.02 0.00 0.00 176.35 173.50 2doe s ASP 852 N -3.33 1.03 -0.09 2.29 1.11 -1.26 -5.05 116.67 111.37 2doe s ASP 852 Ca 0.37 -0.15 -0.17 0.00 0.18 0.00 0.00 52.55 52.78 2doe s ASP 852 Cb 0.05 -0.47 -0.13 0.00 1.07 0.00 0.00 42.92 43.43 2doe s ASP 852 CO 0.18 -0.03 0.59 0.28 1.18 0.00 0.00 175.17 177.38 2doe h SER 853 N 7.04 -0.10 -4.56 0.27 0.02 -2.03 -3.48 113.55 110.70 2doe h SER 853 Ca -0.37 -0.39 -0.30 0.00 -0.84 0.00 0.00 61.79 59.89 2doe h SER 853 Cb 1.16 0.03 -0.15 0.00 0.14 0.00 0.00 62.40 63.58 2doe h SER 853 CO 0.48 0.54 -0.65 -0.94 -1.14 0.00 0.00 176.83 175.12 2doe s SER 854 N -5.65 1.15 0.92 3.07 1.04 -1.26 -5.14 113.70 107.83 2doe s SER 854 Ca -0.10 -1.24 -0.12 0.00 0.48 0.00 0.00 55.95 54.97 2doe s SER 854 Cb -0.01 0.14 0.08 0.00 0.10 0.00 0.00 66.02 66.34 2doe s SER 854 CO 0.38 -0.63 0.76 0.61 0.98 0.00 0.00 173.24 175.34 2doe n GLY 855 N -0.30 -1.21 3.62 7.32 0.00 -1.26 -4.99 105.19 108.36 2doe n GLY 855 Ca -0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 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 -4.03 -0.70 -0.02 1.61 0.04 -1.26 -5.09 135.00 125.55 2doe s PRO 856 Ca 0.62 0.12 -0.08 0.00 0.04 0.00 0.00 61.00 61.70 2doe s PRO 856 Cb -0.23 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.68 2doe s PRO 856 CO 0.62 -3.41 0.18 -1.54 0.04 0.00 0.00 177.00 172.89 2doe s SER 857 N -3.74 -0.06 -0.06 6.66 1.04 -1.26 -5.16 113.70 111.11 2doe s SER 857 Ca 0.69 -0.01 -0.05 0.00 0.48 0.00 0.00 55.95 57.07 2doe s SER 857 Cb -0.13 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.29 2doe s SER 857 CO 0.57 -0.30 0.15 -0.44 0.98 0.00 0.00 173.24 174.20 2doe s SER 858 N -0.98 -0.15 0.00 7.02 0.01 -1.26 -5.33 113.70 113.01 2doe s SER 858 Ca -0.11 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2doe s SER 858 Cb -0.06 0.28 0.00 0.00 0.21 0.00 0.00 66.02 66.45 2doe s SER 858 CO 0.02 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.19