#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2doe n SER 778 N 0.00 7.32 -4.67 1.61 7.64 -1.26 -5.01 113.62 119.25 2doe n SER 778 Ca 0.00 -3.79 -0.47 0.00 1.01 0.00 0.00 58.87 55.62 2doe n SER 778 Cb 0.00 -0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 62.24 2doe n SER 778 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2doe n SER 779 N -0.82 3.04 -2.26 6.43 2.88 -1.26 -2.57 113.62 119.06 2doe n SER 779 Ca 0.59 1.06 -0.08 0.00 -1.33 0.00 0.00 58.87 59.11 2doe n SER 779 Cb 0.61 -1.39 0.04 0.00 -0.75 0.00 0.00 64.21 62.72 2doe n SER 779 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2doe n GLY 780 N 3.55 -0.00 3.63 0.46 0.00 -1.26 -5.04 105.19 106.54 2doe n GLY 780 Ca 0.18 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 2doe n GLY 780 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2doe s SER 781 N -3.55 5.16 0.59 1.61 1.04 -1.06 -5.09 113.70 112.40 2doe s SER 781 Ca 0.06 0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.37 2doe s SER 781 Cb -0.01 -1.58 -0.03 0.00 0.10 0.00 0.00 66.02 64.50 2doe s SER 781 CO 0.37 0.31 1.27 -0.94 0.98 0.00 0.00 173.24 175.23 2doe s SER 782 N -0.49 5.06 -0.01 7.02 1.04 -1.26 -5.04 113.70 120.02 2doe s SER 782 Ca 0.08 2.55 0.02 0.00 0.48 0.00 0.00 55.95 59.08 2doe s SER 782 Cb -0.12 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.39 2doe s SER 782 CO 0.02 -1.69 -0.05 -0.83 0.98 0.00 0.00 173.24 171.67 2doe s GLY 783 N -1.37 0.28 1.11 7.32 0.00 -1.26 -5.14 107.32 108.25 2doe s GLY 783 Ca 0.77 -0.18 -0.17 0.00 0.00 0.00 0.00 44.72 45.14 2doe s GLY 783 CO 0.38 -0.07 0.21 -2.21 0.00 0.00 0.00 173.10 171.41 2doe n GLU 784 N 3.15 -1.56 -1.95 2.90 2.13 -1.26 -4.73 120.64 119.31 2doe n GLU 784 Ca -0.15 -0.43 -0.24 0.00 0.66 0.00 0.00 57.16 56.99 2doe n GLU 784 Cb 0.57 -1.79 -0.06 0.00 0.27 0.00 0.00 31.44 30.42 2doe n GLU 784 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2doe s LYS 785 N -3.62 2.26 0.25 5.31 3.01 -1.26 -4.93 119.74 120.76 2doe s LYS 785 Ca 0.58 -0.58 -0.07 0.00 -1.01 0.00 0.00 55.97 54.89 2doe s LYS 785 Cb -0.15 -5.10 -0.06 0.00 -1.01 0.00 0.00 37.83 31.51 2doe s LYS 785 CO 0.66 -4.00 0.53 -1.21 0.51 0.00 0.00 175.35 171.84 2doe s GLU 786 N 7.17 3.70 1.08 1.68 0.41 -1.26 -5.06 118.70 126.42 2doe s GLU 786 Ca 0.73 0.11 -0.20 0.00 -0.41 0.00 0.00 54.97 55.21 2doe s GLU 786 Cb -0.05 -2.67 0.04 0.00 -1.78 0.00 0.00 34.13 29.67 2doe s GLU 786 CO 0.08 0.29 -0.29 -3.47 -0.49 0.00 0.00 175.26 171.38 2doe n ASP 787 N -0.47 -2.57 -2.35 -0.19 2.03 -1.26 -4.83 116.55 106.91 2doe n ASP 787 Ca -0.01 -0.06 -0.26 0.00 0.52 0.00 0.00 54.79 54.98 2doe n ASP 787 Cb 0.53 -0.88 -0.00 0.00 -0.72 0.00 0.00 41.12 40.05 2doe n ASP 787 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2doe n SER 788 N -0.53 6.74 -0.04 1.67 7.64 -1.26 -4.53 113.62 123.31 2doe n SER 788 Ca 0.00 -3.31 -0.01 0.00 1.01 0.00 0.00 58.87 56.57 2doe n SER 788 Cb 0.64 -1.13 -0.00 0.00 -1.01 0.00 0.00 64.21 62.70 2doe n SER 788 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2doe h LYS 789 N 2.45 0.00 -0.21 1.43 3.11 -2.02 -3.35 116.57 117.97 2doe h LYS 789 Ca 0.41 0.00 -0.15 0.00 -2.81 0.00 0.00 60.65 58.10 2doe h LYS 789 Cb 0.70 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.93 2doe h LYS 789 CO 0.99 0.00 -0.44 0.00 -2.81 0.00 0.00 179.45 177.19 2doe h THR 790 N -0.64 1.32 -0.97 1.00 1.03 -1.98 -3.21 112.91 109.46 2doe h THR 790 Ca 0.00 -1.66 0.32 0.00 -0.01 0.00 0.00 66.41 65.06 2doe h THR 790 Cb 0.11 1.83 -0.17 0.00 -1.07 0.00 0.00 68.15 68.84 2doe h THR 790 CO 0.00 0.52 0.32 -0.09 -0.01 0.00 0.00 175.52 176.26 2doe h ARG 791 N 0.38 0.09 -0.70 0.00 2.43 -1.83 0.59 114.38 115.34 2doe h ARG 791 Ca 0.01 -0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2doe h ARG 791 Cb 1.05 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.53 2doe h ARG 791 CO 0.10 0.06 0.44 0.78 -1.51 0.00 0.00 179.97 179.83 2doe h GLY 792 N 0.09 1.00 0.15 2.80 0.00 -1.69 -2.84 103.07 102.59 2doe h GLY 792 Ca 0.69 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.72 2doe h GLY 792 CO -0.77 0.28 -0.41 0.83 0.00 0.00 0.00 176.54 176.47 2doe h GLU 793 N 0.86 -0.55 -0.35 4.80 4.39 0.06 0.43 114.58 124.23 2doe h GLU 793 Ca 0.28 0.04 0.07 0.00 0.34 0.00 0.00 59.36 60.09 2doe h GLU 793 Cb 0.01 0.12 -0.09 0.00 -0.10 0.00 0.00 28.75 28.70 2doe h GLU 793 CO -0.10 -0.36 -0.32 -0.22 -1.16 0.00 0.00 179.01 176.85 2doe h LYS 794 N -0.57 -0.26 -0.04 2.33 1.63 -1.40 -0.43 116.57 117.84 2doe h LYS 794 Ca 0.05 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.90 2doe h LYS 794 Cb 0.65 0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.29 2doe h LYS 794 CO -0.32 -0.17 -0.25 0.82 -3.45 0.00 0.00 179.45 176.08 2doe h ILE 795 N -0.27 0.42 -1.00 2.00 2.04 -1.21 -1.39 117.51 118.11 2doe h ILE 795 Ca 0.16 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.22 2doe h ILE 795 Cb 0.53 0.42 -0.10 0.00 -0.74 0.00 0.00 36.82 36.93 2doe h ILE 795 CO -0.50 0.00 0.61 0.50 0.00 0.00 0.00 178.15 178.76 2doe h LYS 796 N -0.37 0.68 0.38 2.37 3.64 -0.20 -1.50 116.57 121.58 2doe h LYS 796 Ca 0.07 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2doe h LYS 796 Cb 0.47 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2doe h LYS 796 CO -0.25 0.45 -0.19 1.03 -2.27 0.00 0.00 179.45 178.23 2doe h SER 797 N 0.70 -0.44 -0.62 4.20 0.87 -0.01 -2.41 113.55 115.84 2doe h SER 797 Ca 0.57 0.02 0.12 0.00 -1.23 0.00 0.00 61.79 61.26 2doe h SER 797 Cb 0.97 0.11 -0.09 0.00 -0.44 0.00 0.00 62.40 62.95 2doe h SER 797 CO -0.36 -0.31 0.13 0.44 -0.53 0.00 0.00 176.83 176.21 2doe h ASP 798 N -0.52 0.00 -0.03 6.23 5.19 -0.74 -1.40 116.42 125.15 2doe h ASP 798 Ca -0.05 0.12 0.04 0.00 -0.62 0.00 0.00 57.03 56.51 2doe h ASP 798 Cb 0.40 0.16 -0.05 0.00 0.18 0.00 0.00 39.33 40.02 2doe h ASP 798 CO 0.08 0.00 -0.27 0.15 -3.12 0.00 0.00 179.24 176.09 2doe h PHE 799 N 0.26 -0.73 -0.49 4.55 3.57 -1.19 -2.20 116.94 120.72 2doe h PHE 799 Ca 0.33 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.93 2doe h PHE 799 Cb 0.50 0.33 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 2doe h PHE 799 CO -0.25 -0.36 0.13 0.74 -2.23 0.00 0.00 178.31 176.34 2doe h PHE 800 N -0.39 0.22 -0.29 0.41 0.04 -0.87 -2.32 116.94 113.73 2doe h PHE 800 Ca 0.07 0.03 0.06 0.00 2.80 0.00 0.00 57.97 60.93 2doe h PHE 800 Cb 0.49 -0.02 -0.08 0.00 2.20 0.00 0.00 35.95 38.54 2doe h PHE 800 CO -0.32 0.03 -0.43 0.93 -0.60 0.00 0.00 178.31 177.93 2doe h GLU 801 N 0.28 -0.39 0.24 1.51 5.08 -0.69 -0.77 114.58 119.84 2doe h GLU 801 Ca 0.24 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2doe h GLU 801 Cb 0.30 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 2doe h GLU 801 CO -0.29 -0.26 -0.45 1.25 -1.00 0.00 0.00 179.01 178.26 2doe h LEU 802 N -0.40 -1.31 -0.42 1.33 5.85 -1.03 -0.79 115.31 118.54 2doe h LEU 802 Ca 0.11 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.99 2doe h LEU 802 Cb 0.60 0.46 -0.06 0.00 0.37 0.00 0.00 40.66 42.04 2doe h LEU 802 CO -0.50 -0.52 -0.32 -0.07 -0.34 0.00 0.00 178.44 176.68 2doe h LEU 803 N -0.75 -1.15 -0.87 2.25 3.38 -1.07 0.20 115.31 117.30 2doe h LEU 803 Ca -0.03 0.17 0.22 0.00 0.09 0.00 0.00 57.88 58.33 2doe h LEU 803 Cb 0.70 0.49 -0.13 0.00 0.09 0.00 0.00 40.66 41.82 2doe h LEU 803 CO -0.17 -0.17 0.33 0.77 0.09 0.00 0.00 178.44 179.29 2doe h SER 804 N -0.09 0.20 -0.08 -0.43 4.64 -1.03 0.85 113.55 117.60 2doe h SER 804 Ca 0.07 0.17 0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2doe h SER 804 Cb 0.27 0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2doe h SER 804 CO -0.45 -0.06 0.07 0.78 -0.87 0.00 0.00 176.83 176.31 2doe h ASN 805 N 0.33 0.00 -0.17 4.97 2.35 0.87 -1.68 115.58 122.25 2doe h ASN 805 Ca 0.54 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 56.20 2doe h ASN 805 Cb 1.05 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.37 2doe h ASN 805 CO -0.57 0.00 0.12 1.41 -1.65 0.00 0.00 177.43 176.75 2doe n HIS 806 N -4.25 0.52 -3.88 1.19 8.25 0.29 -4.83 115.22 112.51 2doe n HIS 806 Ca -0.01 -0.97 -0.27 0.00 -0.26 0.00 0.00 57.72 56.21 2doe n HIS 806 Cb 0.18 -0.48 -0.03 0.00 1.12 0.00 0.00 29.99 30.78 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 0.57 -0.91 -1.04 4.41 -0.00 -0.63 -4.77 115.22 112.85 2doe n HIS 807 Ca 0.10 0.23 -0.36 0.00 0.46 0.00 0.00 57.72 58.15 2doe n HIS 807 Cb 0.63 -1.93 0.06 0.00 -0.12 0.00 0.00 29.99 28.63 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 -3.67 -3.10 -4.24 0.27 4.77 -1.25 -5.01 117.00 104.76 2doe n LEU 808 Ca -0.15 0.36 -0.14 0.00 -0.03 0.00 0.00 56.01 56.05 2doe n LEU 808 Cb 0.44 -0.96 -0.10 0.00 -2.33 0.00 0.00 43.42 40.47 2doe n LEU 808 CO 0.56 -4.77 -0.29 1.51 -1.33 0.00 0.00 177.39 173.06 2doe s ASP 809 N -1.32 0.93 0.10 -1.43 -4.77 -1.26 -5.04 116.67 103.88 2doe s ASP 809 Ca 0.51 -1.26 -0.22 0.00 -3.30 0.00 0.00 52.55 48.28 2doe s ASP 809 Cb -0.27 0.19 -0.13 0.00 -1.09 0.00 0.00 42.92 41.63 2doe s ASP 809 CO 0.72 -0.67 1.74 0.77 0.70 0.00 0.00 175.17 178.42 2doe h SER 810 N 2.63 0.07 -0.38 2.11 4.64 -1.95 -2.14 113.55 118.52 2doe h SER 810 Ca -0.37 -0.02 -0.20 0.00 -0.47 0.00 0.00 61.79 60.73 2doe h SER 810 Cb 1.22 -0.02 -0.12 0.00 -0.31 0.00 0.00 62.40 63.17 2doe h SER 810 CO 0.60 0.07 0.25 0.00 -0.87 0.00 0.00 176.83 176.89 2doe n GLN 811 N -5.04 1.48 -1.83 4.77 1.13 -1.26 -4.91 117.38 111.72 2doe n GLN 811 Ca -0.06 -1.15 -0.42 0.00 -1.94 0.00 0.00 57.00 53.43 2doe n GLN 811 Cb 0.04 -1.45 -0.03 0.00 0.11 0.00 0.00 30.24 28.91 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 0.12 6.54 -0.22 1.08 0.15 -0.81 -4.97 113.70 115.60 2doe s SER 812 Ca 0.22 2.54 -0.16 0.00 0.70 0.00 0.00 55.95 59.24 2doe s SER 812 Cb 0.18 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2doe s SER 812 CO 0.04 -0.96 0.42 -0.60 1.20 0.00 0.00 173.24 173.33 2doe s ARG 813 N 3.47 4.14 0.15 5.44 6.06 -1.26 -4.98 118.95 131.97 2doe s ARG 813 Ca 0.79 0.21 -0.24 0.00 -2.50 0.00 0.00 55.73 53.99 2doe s ARG 813 Cb -0.40 -3.57 0.02 0.00 0.06 0.00 0.00 34.95 31.06 2doe s ARG 813 CO 0.35 -0.11 1.61 2.35 -2.50 0.00 0.00 175.30 177.00 2doe h TRP 814 N 7.55 -0.81 -1.04 5.12 -0.00 -1.98 0.97 115.95 125.76 2doe h TRP 814 Ca -0.35 0.04 0.30 0.00 -0.00 0.00 0.00 58.89 58.89 2doe h TRP 814 Cb 1.16 0.39 -0.13 0.00 -0.00 0.00 0.00 29.16 30.58 2doe h TRP 814 CO 0.70 -0.37 0.62 1.03 -0.00 0.00 0.00 178.44 180.42 2doe h SER 815 N -0.31 0.53 0.18 2.65 0.87 -1.98 0.39 113.55 115.88 2doe h SER 815 Ca 0.13 0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.83 2doe h SER 815 Cb 0.52 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 2doe h SER 815 CO -0.41 -0.02 -0.08 0.11 -0.53 0.00 0.00 176.83 175.89 2doe h LYS 816 N 0.40 -0.23 -1.20 2.24 1.79 -1.44 -2.24 116.57 115.89 2doe h LYS 816 Ca 0.69 0.02 0.34 0.00 -2.18 0.00 0.00 60.65 59.52 2doe h LYS 816 Cb 1.58 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 32.22 2doe h LYS 816 CO -0.49 -0.15 0.85 -0.24 -1.08 0.00 0.00 179.45 178.33 2doe h VAL 817 N -0.75 0.40 -0.01 0.50 3.04 -0.35 0.13 116.25 119.21 2doe h VAL 817 Ca -0.02 -0.02 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 2doe h VAL 817 Cb 0.18 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.79 2doe h VAL 817 CO 0.04 0.01 -0.06 0.50 -1.01 0.00 0.00 177.57 177.05 2doe h LYS 818 N 0.06 0.05 0.00 4.17 3.64 -0.30 -1.73 116.57 122.46 2doe h LYS 818 Ca 0.59 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 2doe h LYS 818 Cb 2.22 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 34.05 2doe h LYS 818 CO -0.07 0.77 0.00 -0.25 -2.27 0.00 0.00 179.45 177.63 2doe n ASP 819 N -4.68 0.45 -0.03 4.20 8.00 0.21 0.10 116.55 124.79 2doe n ASP 819 Ca -0.09 0.64 -0.16 0.00 0.71 0.00 0.00 54.79 55.88 2doe n ASP 819 Cb 0.39 -0.72 -0.14 0.00 -0.02 0.00 0.00 41.12 40.63 2doe n ASP 819 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2doe n LYS 820 N -2.02 0.70 0.01 -1.24 5.02 0.18 -4.32 118.16 116.49 2doe n LYS 820 Ca 0.01 0.23 -0.08 0.00 -2.02 0.00 0.00 58.31 56.45 2doe n LYS 820 Cb 0.15 -1.69 -0.13 0.00 -0.02 0.00 0.00 35.03 33.35 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 0.03 1.22 -1.16 -0.18 -1.51 -0.88 -3.34 116.25 110.43 2doe h VAL 821 Ca -0.42 -3.01 0.34 0.00 -1.23 0.00 0.00 66.70 62.38 2doe h VAL 821 Cb 2.03 2.60 -0.05 0.00 -2.13 0.00 0.00 31.29 33.74 2doe h VAL 821 CO 0.05 0.69 1.20 -1.84 -1.23 0.00 0.00 177.57 176.44 2doe n GLU 822 N -3.17 0.01 -0.31 5.19 0.28 0.11 0.19 120.64 122.94 2doe n GLU 822 Ca -0.10 0.98 -0.06 0.00 -0.16 0.00 0.00 57.16 57.82 2doe n GLU 822 Cb 1.00 -2.39 0.05 0.00 1.43 0.00 0.00 31.44 31.53 2doe n GLU 822 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2doe n SER 823 N -3.26 3.11 -3.92 -1.84 2.88 -1.25 -4.80 113.62 104.54 2doe n SER 823 Ca 0.26 -2.41 -0.14 0.00 -1.33 0.00 0.00 58.87 55.25 2doe n SER 823 Cb 1.54 -0.59 -0.14 0.00 -0.75 0.00 0.00 64.21 64.28 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 0.34 0.35 0.29 -3.46 -1.08 0.52 -5.04 116.67 108.59 2doe s ASP 824 Ca 0.15 -0.05 0.07 0.00 -0.52 0.00 0.00 52.55 52.19 2doe s ASP 824 Cb 0.12 -0.04 0.43 0.00 -1.46 0.00 0.00 42.92 41.97 2doe s ASP 824 CO 0.03 0.03 1.67 1.55 0.52 0.00 0.00 175.17 178.98 2doe h PRO 825 N 6.11 0.20 -0.24 4.34 0.13 -1.87 -2.99 132.00 137.68 2doe h PRO 825 Ca -0.27 -0.10 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 2doe h PRO 825 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2doe h PRO 825 CO 0.50 0.63 0.08 0.00 -0.23 0.00 0.00 178.00 178.98 2doe h ARG 826 N 0.16 0.33 0.00 0.86 3.08 -1.96 -1.00 114.38 115.85 2doe h ARG 826 Ca 0.01 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2doe h ARG 826 Cb 0.89 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 2doe h ARG 826 CO 0.07 0.29 -0.11 -0.92 -1.07 0.00 0.00 179.97 178.23 2doe h TYR 827 N 0.33 0.00 0.00 3.04 5.03 -1.82 -1.93 116.97 121.62 2doe h TYR 827 Ca 0.08 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.38 2doe h TYR 827 Cb 0.09 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.37 2doe h TYR 827 CO 0.00 0.11 -0.05 0.87 -1.32 0.00 0.00 178.16 177.76 2doe h LYS 828 N 0.00 0.00 -0.44 1.82 1.57 -1.28 -3.26 116.57 114.98 2doe h LYS 828 Ca -0.00 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.87 2doe h LYS 828 Cb 0.42 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.64 2doe h LYS 828 CO 0.01 0.05 -0.21 0.00 -0.57 0.00 0.00 179.45 178.74 2doe h ALA 829 N 1.95 0.11 -2.01 3.86 0.00 -1.39 -3.38 119.26 118.41 2doe h ALA 829 Ca -0.00 0.15 -0.57 0.00 0.00 0.00 0.00 54.91 54.50 2doe h ALA 829 Cb 0.73 0.51 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2doe h ALA 829 CO 0.01 -0.56 1.19 0.08 0.00 0.00 0.00 179.25 179.96 2doe s VAL 830 N -6.14 3.58 -0.15 0.00 1.01 -1.23 -4.89 120.40 112.58 2doe s VAL 830 Ca -0.14 0.63 -0.24 0.00 0.00 0.00 0.00 61.98 62.23 2doe s VAL 830 Cb 0.15 -3.63 -0.22 0.00 0.00 0.00 0.00 36.38 32.69 2doe s VAL 830 CO 0.70 -0.30 0.57 -0.78 0.00 0.00 0.00 175.10 175.29 2doe h ASP 831 N 11.44 0.00 -3.62 3.32 1.82 -1.90 -3.46 116.42 124.03 2doe h ASP 831 Ca -0.35 -0.78 -0.52 0.00 -0.39 0.00 0.00 57.03 54.99 2doe h ASP 831 Cb 1.16 0.00 0.02 0.00 0.68 0.00 0.00 39.33 41.20 2doe h ASP 831 CO 1.00 1.04 0.54 -0.55 -1.61 0.00 0.00 179.24 179.66 2doe s SER 832 N -6.26 7.12 0.07 2.28 0.15 -1.26 -4.95 113.70 110.84 2doe s SER 832 Ca -0.19 2.28 -0.15 0.00 0.70 0.00 0.00 55.95 58.59 2doe s SER 832 Cb -0.01 -2.62 -0.17 0.00 -1.71 0.00 0.00 66.02 61.51 2doe s SER 832 CO 0.59 -0.31 1.26 0.28 1.20 0.00 0.00 173.24 176.26 2doe h SER 833 N 4.65 0.79 -0.93 5.45 0.02 -2.01 -3.23 113.55 118.30 2doe h SER 833 Ca -0.46 -0.65 0.22 0.00 -0.84 0.00 0.00 61.79 60.07 2doe h SER 833 Cb 1.21 -0.23 -0.12 0.00 0.14 0.00 0.00 62.40 63.40 2doe h SER 833 CO 0.71 1.31 0.46 0.28 -1.14 0.00 0.00 176.83 178.46 2doe h SER 834 N 0.33 0.46 -0.44 3.07 0.02 -2.00 0.10 113.55 115.09 2doe h SER 834 Ca -0.05 0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.05 2doe h SER 834 Cb 1.31 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.92 2doe h SER 834 CO 0.14 0.05 0.29 0.24 -1.14 0.00 0.00 176.83 176.41 2doe h MET 835 N 0.48 0.58 -0.15 3.45 2.86 -1.97 0.30 114.93 120.48 2doe h MET 835 Ca 0.58 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 58.22 2doe h MET 835 Cb 1.08 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.57 2doe h MET 835 CO -0.50 0.38 -0.09 0.00 1.06 0.00 0.00 176.91 177.77 2doe h ARG 836 N 0.60 -0.08 0.82 1.72 3.08 -0.88 0.12 114.38 119.75 2doe h ARG 836 Ca 0.16 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 2doe h ARG 836 Cb -0.06 0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.01 2doe h ARG 836 CO -0.04 -0.06 -0.39 0.93 -1.07 0.00 0.00 179.97 179.34 2doe h GLU 837 N -0.09 -1.06 -0.20 0.04 5.08 -1.20 -1.40 114.58 115.75 2doe h GLU 837 Ca 0.09 0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2doe h GLU 837 Cb 0.22 0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 2doe h GLU 837 CO -0.20 -0.71 -0.44 0.22 -1.00 0.00 0.00 179.01 176.88 2doe h ASP 838 N -1.27 -1.44 -0.15 1.42 3.58 -0.88 0.32 116.42 118.00 2doe h ASP 838 Ca -0.11 0.18 0.03 0.00 0.42 0.00 0.00 57.03 57.55 2doe h ASP 838 Cb 0.84 0.57 -0.06 0.00 1.72 0.00 0.00 39.33 42.41 2doe h ASP 838 CO 0.18 -0.36 -0.51 -0.07 -2.88 0.00 0.00 179.24 175.60 2doe h LEU 839 N -0.41 -1.63 -0.67 2.28 3.38 -0.84 0.12 115.31 117.55 2doe h LEU 839 Ca 0.04 0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.32 2doe h LEU 839 Cb 0.52 0.64 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 2doe h LEU 839 CO -0.41 -0.45 -0.35 0.15 0.09 0.00 0.00 178.44 177.48 2doe h PHE 840 N -0.53 -0.98 -0.55 1.13 3.57 -0.87 0.13 116.94 118.85 2doe h PHE 840 Ca 0.03 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.67 2doe h PHE 840 Cb 0.63 0.53 -0.05 0.00 2.79 0.00 0.00 35.95 39.84 2doe h PHE 840 CO -0.59 -0.39 0.26 0.87 -2.23 0.00 0.00 178.31 176.23 2doe h LYS 841 N -0.13 0.47 0.22 1.11 1.57 -0.19 -1.79 116.57 117.83 2doe h LYS 841 Ca 0.25 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2doe h LYS 841 Cb 0.56 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 2doe h LYS 841 CO -0.74 0.31 -0.47 1.96 -0.57 0.00 0.00 179.45 179.94 2doe h GLN 842 N 0.49 -0.75 0.20 3.15 4.20 0.19 0.30 115.11 122.89 2doe h GLN 842 Ca 0.25 0.05 0.01 0.00 0.06 0.00 0.00 58.65 59.02 2doe h GLN 842 Cb 0.21 0.17 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 2doe h GLN 842 CO -0.20 -0.50 -0.52 -0.92 -0.67 0.00 0.00 178.83 176.02 2doe h TYR 843 N -0.77 -1.50 -0.79 2.96 5.03 -0.97 -1.88 116.97 119.05 2doe h TYR 843 Ca -0.01 0.03 0.15 0.00 2.58 0.00 0.00 58.73 61.49 2doe h TYR 843 Cb 0.75 0.63 -0.10 0.00 1.55 0.00 0.00 36.73 39.56 2doe h TYR 843 CO -0.36 -0.61 0.32 0.82 -1.32 0.00 0.00 178.16 177.01 2doe h ILE 844 N -0.81 0.64 -0.76 1.81 1.08 -1.19 -0.10 117.51 118.18 2doe h ILE 844 Ca -0.02 -0.16 0.12 0.00 -0.39 0.00 0.00 64.86 64.42 2doe h ILE 844 Cb 0.78 0.14 -0.08 0.00 -3.07 0.00 0.00 36.82 34.59 2doe h ILE 844 CO -0.24 0.08 0.37 -0.08 -0.69 0.00 0.00 178.15 177.59 2doe h GLU 845 N 0.45 0.56 -0.20 2.37 4.81 0.36 -1.65 114.58 121.29 2doe h GLU 845 Ca 0.44 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.63 2doe h GLU 845 Cb 0.69 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2doe h GLU 845 CO -0.42 0.37 0.08 -0.22 -0.73 0.00 0.00 179.01 178.09 2doe h LYS 846 N 0.58 0.29 0.14 1.92 3.64 -0.28 -2.65 116.57 120.20 2doe h LYS 846 Ca 0.40 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2doe h LYS 846 Cb 0.50 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2doe h LYS 846 CO -0.33 0.35 -0.21 0.82 -2.27 0.00 0.00 179.45 177.81 2doe h ILE 847 N 0.17 0.00 -0.91 2.00 2.04 -0.78 0.16 117.51 120.20 2doe h ILE 847 Ca 0.07 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.13 2doe h ILE 847 Cb 0.16 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.07 2doe h ILE 847 CO -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 178.15 178.01 2doe h ALA 848 N -1.31 0.76 0.56 1.87 0.00 -1.40 -0.03 119.26 119.72 2doe h ALA 848 Ca -0.02 0.34 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2doe h ALA 848 Cb 0.33 0.63 0.01 0.00 0.00 0.00 0.00 17.79 18.76 2doe h ALA 848 CO -0.06 -0.44 -0.27 -0.22 0.00 0.00 0.00 179.25 178.26 2doe h LYS 849 N 0.02 -0.72 -5.39 0.00 3.11 -1.11 -3.37 116.57 109.10 2doe h LYS 849 Ca 0.47 0.05 -0.64 0.00 -2.81 0.00 0.00 60.65 57.72 2doe h LYS 849 Cb 0.81 0.16 -0.15 0.00 -1.00 0.00 0.00 32.23 32.05 2doe h LYS 849 CO -0.90 -0.48 0.43 1.21 -2.81 0.00 0.00 179.45 176.90 2doe s ASN 850 N -4.54 6.22 -0.06 4.20 3.04 0.53 -5.00 114.94 119.34 2doe s ASN 850 Ca -0.17 -0.87 -0.02 0.00 0.04 0.00 0.00 52.86 51.84 2doe s ASN 850 Cb 0.04 -2.39 0.03 0.00 -1.54 0.00 0.00 41.25 37.39 2doe s ASN 850 CO 0.62 -1.27 0.03 -0.22 -3.04 0.00 0.00 177.10 173.23 2doe s LEU 851 N 3.67 0.36 -1.10 3.21 2.96 -1.25 -4.65 118.68 121.88 2doe s LEU 851 Ca 0.22 -0.01 -0.03 0.00 -0.22 0.00 0.00 54.13 54.08 2doe s LEU 851 Cb -0.17 -0.29 0.21 0.00 0.50 0.00 0.00 46.19 46.44 2doe s LEU 851 CO 0.12 -0.22 2.17 -0.67 -1.32 0.00 0.00 176.35 176.42 2doe n ASP 852 N 5.23 7.61 -3.88 3.68 2.03 -1.26 -4.88 116.55 125.08 2doe n ASP 852 Ca -0.05 -3.42 -0.30 0.00 0.52 0.00 0.00 54.79 51.54 2doe n ASP 852 Cb 0.50 -1.25 -0.15 0.00 -0.72 0.00 0.00 41.12 39.49 2doe n ASP 852 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2doe s SER 853 N -0.42 3.93 -0.01 1.67 0.01 -1.26 -5.12 113.70 112.50 2doe s SER 853 Ca 0.48 -1.39 0.02 0.00 1.31 0.00 0.00 55.95 56.37 2doe s SER 853 Cb 0.22 -1.11 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 2doe s SER 853 CO -0.14 -0.30 -0.02 -0.94 0.41 0.00 0.00 173.24 172.24 2doe s SER 854 N 1.42 4.97 0.00 2.44 1.04 -1.26 -5.10 113.70 117.21 2doe s SER 854 Ca 0.01 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2doe s SER 854 Cb -0.18 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.67 2doe s SER 854 CO -0.11 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2doe n GLY 855 N 1.49 2.75 0.20 7.32 0.00 -1.24 -5.03 105.19 110.69 2doe n GLY 855 Ca -0.15 -0.82 0.07 0.00 0.00 0.00 0.00 46.02 45.11 2doe n GLY 855 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2doe h PRO 856 N 0.00 0.00 -0.92 1.61 0.13 -1.99 -1.18 132.00 129.65 2doe h PRO 856 Ca 0.00 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.26 2doe h PRO 856 Cb 0.00 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 30.98 2doe h PRO 856 CO 0.00 0.31 -0.42 1.03 -0.23 0.00 0.00 178.00 178.70 2doe h SER 857 N 0.00 -1.53 0.00 1.44 0.87 -2.00 -3.34 113.55 108.99 2doe h SER 857 Ca -0.00 0.30 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 2doe h SER 857 Cb 0.73 0.76 -0.01 0.00 -0.44 0.00 0.00 62.40 63.45 2doe h SER 857 CO 0.04 -0.29 -1.13 -1.54 -0.53 0.00 0.00 176.83 173.39 2doe n SER 858 N -5.43 0.17 0.00 6.23 3.41 -1.24 -5.28 113.62 111.48 2doe n SER 858 Ca 0.08 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2doe n SER 858 Cb 0.37 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2doe n SER 858 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49