#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 1.84 -0.10 1.61 0.01 -1.26 -5.06 113.70 110.74 2doe s SER 778 Ca 0.00 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 56.60 2doe s SER 778 Cb 0.00 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 2doe s SER 778 CO 0.00 -0.04 -0.13 -0.24 0.41 0.00 0.00 173.24 173.24 2doe n SER 779 N 1.32 0.96 0.00 2.44 2.88 -1.26 -5.15 113.62 114.81 2doe n SER 779 Ca -0.20 0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 2doe n SER 779 Cb 0.54 -0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 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 2.41 3.11 3.72 0.46 0.00 -1.26 -5.10 105.19 108.52 2doe n GLY 780 Ca -0.20 -1.98 -0.28 0.00 0.00 0.00 0.00 46.02 43.56 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 0.00 5.11 -0.15 1.61 0.01 -1.26 -5.05 113.70 113.97 2doe s SER 781 Ca 0.00 -0.23 -0.30 0.00 1.31 0.00 0.00 55.95 56.74 2doe s SER 781 Cb 0.00 -1.22 -0.07 0.00 0.21 0.00 0.00 66.02 64.94 2doe s SER 781 CO 0.00 0.12 2.13 -1.20 0.41 0.00 0.00 173.24 174.69 2doe n SER 782 N 0.08 3.44 -2.72 2.44 7.64 -1.26 -4.82 113.62 118.41 2doe n SER 782 Ca -0.10 0.47 -0.08 0.00 1.01 0.00 0.00 58.87 60.17 2doe n SER 782 Cb 0.54 -1.51 0.09 0.00 -1.01 0.00 0.00 64.21 62.32 2doe n SER 782 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2doe n GLY 783 N 5.39 1.36 3.41 0.23 0.00 -1.26 -5.08 105.19 109.23 2doe n GLY 783 Ca 0.28 -0.39 -0.44 0.00 0.00 0.00 0.00 46.02 45.46 2doe n GLY 783 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2doe s GLU 784 N -0.54 3.08 1.02 1.61 2.02 -1.26 -5.05 118.70 119.58 2doe s GLU 784 Ca 0.24 -1.11 -0.16 0.00 0.02 0.00 0.00 54.97 53.95 2doe s GLU 784 Cb 0.39 -4.22 0.21 0.00 0.10 0.00 0.00 34.13 30.62 2doe s GLU 784 CO -0.06 -1.52 1.23 -1.59 0.02 0.00 0.00 175.26 173.34 2doe s LYS 785 N 2.95 0.23 -0.79 1.61 -2.85 -1.26 -4.97 119.74 114.66 2doe s LYS 785 Ca 0.15 -0.19 -0.01 0.00 -1.00 0.00 0.00 55.97 54.91 2doe s LYS 785 Cb -0.22 -1.78 0.36 0.00 -2.06 0.00 0.00 37.83 34.14 2doe s LYS 785 CO 0.08 -2.72 1.92 -0.85 0.10 0.00 0.00 175.35 173.88 2doe n GLU 786 N -4.03 2.83 -4.47 1.78 0.28 -1.26 -4.87 120.64 110.90 2doe n GLU 786 Ca 0.13 -3.63 -0.26 0.00 -0.16 0.00 0.00 57.16 53.24 2doe n GLU 786 Cb 0.59 -2.27 -0.10 0.00 1.43 0.00 0.00 31.44 31.10 2doe n GLU 786 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2doe s ASP 787 N -1.41 3.96 -0.51 -1.84 2.15 -1.26 -5.02 116.67 112.74 2doe s ASP 787 Ca 0.52 -1.18 -0.07 0.00 0.43 0.00 0.00 52.55 52.25 2doe s ASP 787 Cb 0.44 -0.42 -0.21 0.00 -0.30 0.00 0.00 42.92 42.43 2doe s ASP 787 CO -0.37 -0.32 3.41 -1.54 -0.17 0.00 0.00 175.17 176.18 2doe n SER 788 N -0.93 6.36 0.00 -0.34 3.41 -1.26 -3.71 113.62 117.15 2doe n SER 788 Ca -0.04 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.04 2doe n SER 788 Cb 0.64 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.13 2doe n SER 788 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 2doe n LYS 789 N 2.80 0.00 0.12 4.33 3.00 -1.26 -4.66 118.16 122.49 2doe n LYS 789 Ca 0.54 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.83 2doe n LYS 789 Cb 0.70 -0.73 0.11 0.00 0.00 0.00 0.00 35.03 35.11 2doe n LYS 789 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2doe h THR 790 N 0.00 1.43 -0.38 3.15 1.03 -1.90 -3.18 112.91 113.07 2doe h THR 790 Ca 0.00 -2.38 -0.12 0.00 -0.01 0.00 0.00 66.41 63.90 2doe h THR 790 Cb 0.74 2.30 -0.01 0.00 -1.07 0.00 0.00 68.15 70.11 2doe h THR 790 CO 0.00 0.67 -0.24 0.08 -0.01 0.00 0.00 175.52 176.01 2doe h ARG 791 N 0.00 0.77 -0.89 0.00 0.11 -1.86 -2.96 114.38 109.55 2doe h ARG 791 Ca -0.01 -0.32 0.21 0.00 0.10 0.00 0.00 59.98 59.96 2doe h ARG 791 Cb 1.25 -0.03 -0.06 0.00 1.11 0.00 0.00 29.97 32.24 2doe h ARG 791 CO 0.09 0.94 0.60 0.78 0.10 0.00 0.00 179.97 182.47 2doe h GLY 792 N 0.96 0.71 0.43 0.08 0.00 -1.82 -2.18 103.07 101.25 2doe h GLY 792 Ca 0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2doe h GLY 792 CO 0.06 -0.01 -0.47 -2.09 0.00 0.00 0.00 176.54 174.03 2doe h GLU 793 N 0.33 -0.84 0.36 4.80 4.81 -1.66 -0.33 114.58 122.04 2doe h GLU 793 Ca 0.46 0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2doe h GLU 793 Cb 1.25 0.19 -0.03 0.00 0.63 0.00 0.00 28.75 30.80 2doe h GLU 793 CO -0.15 -0.56 -0.46 -0.22 -0.73 0.00 0.00 179.01 176.89 2doe h LYS 794 N -0.87 -0.83 -0.90 1.92 1.63 -1.56 -1.03 116.57 114.93 2doe h LYS 794 Ca -0.03 0.06 0.25 0.00 -0.85 0.00 0.00 60.65 60.07 2doe h LYS 794 Cb 0.80 0.19 -0.14 0.00 -0.60 0.00 0.00 32.23 32.47 2doe h LYS 794 CO -0.13 -0.55 0.29 0.82 -3.45 0.00 0.00 179.45 176.43 2doe h ILE 795 N -0.86 0.31 0.88 2.00 2.04 -1.40 -1.31 117.51 119.17 2doe h ILE 795 Ca -0.03 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 2doe h ILE 795 Cb 0.79 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2doe h ILE 795 CO -0.12 0.04 -0.42 0.50 0.00 0.00 0.00 178.15 178.14 2doe h LYS 796 N 0.23 -1.14 -0.83 2.37 3.64 -0.40 -1.99 116.57 118.45 2doe h LYS 796 Ca 0.58 0.08 0.10 0.00 -1.27 0.00 0.00 60.65 60.14 2doe h LYS 796 Cb 1.21 0.26 -0.12 0.00 -0.41 0.00 0.00 32.23 33.16 2doe h LYS 796 CO -0.65 -0.76 -0.50 1.03 -2.27 0.00 0.00 179.45 176.31 2doe h SER 797 N -1.31 -1.78 -0.81 4.20 0.87 -0.12 0.41 113.55 115.02 2doe h SER 797 Ca -0.12 0.30 0.12 0.00 -1.23 0.00 0.00 61.79 60.86 2doe h SER 797 Cb 0.91 0.82 -0.08 0.00 -0.44 0.00 0.00 62.40 63.60 2doe h SER 797 CO 0.20 -0.29 0.42 0.44 -0.53 0.00 0.00 176.83 177.07 2doe h ASP 798 N -0.10 0.54 0.43 6.23 5.19 -1.35 -1.59 116.42 125.77 2doe h ASP 798 Ca 0.20 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.68 2doe h ASP 798 Cb 0.52 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 2doe h ASP 798 CO -0.85 0.27 -0.50 0.15 -3.12 0.00 0.00 179.24 175.18 2doe h PHE 799 N 0.65 -1.40 -0.23 4.55 3.57 0.57 -2.09 116.94 122.55 2doe h PHE 799 Ca 0.42 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.99 2doe h PHE 799 Cb 0.51 0.55 -0.07 0.00 2.79 0.00 0.00 35.95 39.74 2doe h PHE 799 CO -0.09 -0.65 -0.23 0.74 -2.23 0.00 0.00 178.31 175.85 2doe h PHE 800 N -0.95 -0.60 -0.77 0.41 0.04 -0.88 -1.64 116.94 112.55 2doe h PHE 800 Ca -0.05 0.04 0.14 0.00 2.80 0.00 0.00 57.97 60.90 2doe h PHE 800 Cb 0.84 0.30 -0.14 0.00 2.20 0.00 0.00 35.95 39.15 2doe h PHE 800 CO -0.28 -0.31 -0.28 0.93 -0.60 0.00 0.00 178.31 177.77 2doe h GLU 801 N -0.24 -0.05 0.94 1.51 5.08 -1.09 0.88 114.58 121.61 2doe h GLU 801 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2doe h GLU 801 Cb 0.44 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.71 2doe h GLU 801 CO -0.37 -0.03 -0.48 1.25 -1.00 0.00 0.00 179.01 178.37 2doe h LEU 802 N -0.05 -1.16 -0.53 1.33 5.85 -0.67 -1.50 115.31 118.58 2doe h LEU 802 Ca 0.33 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.16 2doe h LEU 802 Cb 0.58 0.31 -0.09 0.00 0.37 0.00 0.00 40.66 41.83 2doe h LEU 802 CO -0.81 -0.79 -0.55 -0.07 -0.34 0.00 0.00 178.44 175.88 2doe h LEU 803 N -1.30 -1.87 -0.90 2.25 3.38 -0.41 0.16 115.31 116.62 2doe h LEU 803 Ca -0.13 0.26 0.18 0.00 0.09 0.00 0.00 57.88 58.28 2doe h LEU 803 Cb 1.01 0.79 -0.11 0.00 0.09 0.00 0.00 40.66 42.44 2doe h LEU 803 CO 0.19 -0.37 0.47 0.77 0.09 0.00 0.00 178.44 179.60 2doe h SER 804 N -0.31 0.54 0.10 -0.43 4.64 -0.85 0.50 113.55 117.74 2doe h SER 804 Ca 0.10 0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.52 2doe h SER 804 Cb 0.56 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2doe h SER 804 CO -0.67 0.17 -0.04 0.78 -0.87 0.00 0.00 176.83 176.21 2doe h ASN 805 N 0.59 0.00 -0.05 4.97 2.35 0.37 -2.51 115.58 121.30 2doe h ASN 805 Ca 0.52 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.24 2doe h ASN 805 Cb 0.84 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.19 2doe h ASN 805 CO -0.41 0.04 0.04 1.41 -1.65 0.00 0.00 177.43 176.86 2doe n HIS 806 N -3.85 0.17 -3.78 1.19 8.25 0.18 -4.81 115.22 112.57 2doe n HIS 806 Ca -0.03 -0.95 -0.24 0.00 -0.26 0.00 0.00 57.72 56.25 2doe n HIS 806 Cb 0.13 -0.47 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 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 1.08 -0.80 -0.83 4.41 -0.00 -0.94 -4.80 115.22 113.34 2doe n HIS 807 Ca 0.03 0.20 -0.34 0.00 0.46 0.00 0.00 57.72 58.07 2doe n HIS 807 Cb 0.53 -1.69 0.10 0.00 -0.12 0.00 0.00 29.99 28.81 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 -3.33 -2.63 0.00 0.27 4.77 -1.25 -5.03 117.00 109.80 2doe n LEU 808 Ca -0.13 -0.08 -0.11 0.00 -0.03 0.00 0.00 56.01 55.66 2doe n LEU 808 Cb 0.38 -0.71 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 2doe n LEU 808 CO 0.49 -2.76 0.44 -0.90 -1.33 0.00 0.00 177.39 173.32 2doe n ASP 809 N 1.02 -2.07 0.15 -1.43 5.75 -1.26 -5.03 116.55 113.68 2doe n ASP 809 Ca -0.01 -2.71 -0.12 0.00 -0.01 0.00 0.00 54.79 51.95 2doe n ASP 809 Cb 0.67 3.53 -0.07 0.00 -1.03 0.00 0.00 41.12 44.21 2doe n ASP 809 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2doe h SER 810 N 2.01 -0.36 -0.13 -1.12 4.64 -1.94 -3.09 113.55 113.56 2doe h SER 810 Ca -0.32 -0.18 -0.03 0.00 -0.47 0.00 0.00 61.79 60.79 2doe h SER 810 Cb 1.24 0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.41 2doe h SER 810 CO 0.42 0.07 0.03 1.67 -0.87 0.00 0.00 176.83 178.15 2doe n GLN 811 N -5.10 1.59 -1.70 4.77 7.27 -1.26 -4.90 117.38 118.05 2doe n GLN 811 Ca -0.09 -0.58 -0.53 0.00 0.07 0.00 0.00 57.00 55.87 2doe n GLN 811 Cb 0.27 -1.52 -0.06 0.00 2.41 0.00 0.00 30.24 31.33 2doe n GLN 811 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2doe n SER 812 N 0.14 2.91 -4.76 1.69 3.41 -1.17 -4.93 113.62 110.91 2doe n SER 812 Ca 0.07 1.02 -0.39 0.00 -0.26 0.00 0.00 58.87 59.31 2doe n SER 812 Cb 0.51 -1.25 -0.06 0.00 -0.26 0.00 0.00 64.21 63.15 2doe n SER 812 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2doe s ARG 813 N 3.86 4.31 -0.00 4.33 1.81 -1.26 -5.00 118.95 126.99 2doe s ARG 813 Ca 0.96 0.73 -0.03 0.00 -1.72 0.00 0.00 55.73 55.67 2doe s ARG 813 Cb -0.89 -3.34 -0.01 0.00 -0.45 0.00 0.00 34.95 30.26 2doe s ARG 813 CO 0.59 0.38 0.66 2.35 -0.68 0.00 0.00 175.30 178.60 2doe h TRP 814 N 5.61 -0.09 -0.67 -0.53 -0.00 -1.98 -1.60 115.95 116.68 2doe h TRP 814 Ca -0.45 -0.00 0.27 0.00 -0.00 0.00 0.00 58.89 58.70 2doe h TRP 814 Cb 1.20 0.03 -0.12 0.00 -0.00 0.00 0.00 29.16 30.27 2doe h TRP 814 CO 0.66 -0.05 0.31 0.45 -0.00 0.00 0.00 178.44 179.80 2doe n SER 815 N -2.37 0.19 0.12 2.65 2.88 -1.26 0.05 113.62 115.88 2doe n SER 815 Ca -0.01 1.12 -0.06 0.00 -1.33 0.00 0.00 58.87 58.59 2doe n SER 815 Cb 0.04 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 62.95 2doe n SER 815 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2doe h LYS 816 N 0.00 -0.35 -1.09 -1.46 6.56 -1.98 -1.93 116.57 116.32 2doe h LYS 816 Ca 0.54 0.02 0.32 0.00 -1.06 0.00 0.00 60.65 60.47 2doe h LYS 816 Cb 1.40 0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 33.10 2doe h LYS 816 CO -0.54 -0.23 0.82 -0.24 -2.06 0.00 0.00 179.45 177.21 2doe h VAL 817 N -0.70 0.39 0.01 0.50 3.04 0.51 0.36 116.25 120.36 2doe h VAL 817 Ca -0.04 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.43 2doe h VAL 817 Cb 0.28 0.42 0.02 0.00 -2.01 0.00 0.00 31.29 29.99 2doe h VAL 817 CO 0.06 0.00 -0.88 0.50 -1.01 0.00 0.00 177.57 176.24 2doe h LYS 818 N 0.00 0.58 0.00 4.17 3.64 -0.40 0.52 116.57 125.08 2doe h LYS 818 Ca 0.52 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2doe h LYS 818 Cb 2.16 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 34.17 2doe h LYS 818 CO -0.01 1.25 0.00 -3.47 -2.27 0.00 0.00 179.45 174.95 2doe n ASP 819 N -4.00 0.61 -0.12 4.20 2.03 0.11 -0.55 116.55 118.84 2doe n ASP 819 Ca -0.11 0.63 -0.14 0.00 0.52 0.00 0.00 54.79 55.69 2doe n ASP 819 Cb 0.81 -0.77 -0.14 0.00 -0.72 0.00 0.00 41.12 40.30 2doe n ASP 819 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2doe n LYS 820 N -2.16 0.68 0.07 -0.67 3.00 -0.30 -4.44 118.16 114.34 2doe n LYS 820 Ca 0.03 0.08 -0.06 0.00 -0.00 0.00 0.00 58.31 58.36 2doe n LYS 820 Cb 0.25 -1.52 -0.10 0.00 0.00 0.00 0.00 35.03 33.67 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 0.00 1.51 -1.06 3.15 -1.51 -0.79 -3.29 116.25 114.26 2doe h VAL 821 Ca -0.56 -3.17 0.28 0.00 -1.23 0.00 0.00 66.70 62.02 2doe h VAL 821 Cb 2.04 2.74 -0.09 0.00 -2.13 0.00 0.00 31.29 33.85 2doe h VAL 821 CO -0.04 0.86 0.68 1.05 -1.23 0.00 0.00 177.57 178.90 2doe h GLU 822 N 0.00 0.35 -0.61 5.19 4.11 -1.04 0.48 114.58 123.06 2doe h GLU 822 Ca -0.03 -0.02 0.17 0.00 0.07 0.00 0.00 59.36 59.55 2doe h GLU 822 Cb 1.73 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.87 2doe h GLU 822 CO 0.12 0.23 0.43 1.03 0.07 0.00 0.00 179.01 180.89 2doe h SER 823 N 0.36 0.03 -3.37 3.06 0.87 -1.81 -3.40 113.55 109.28 2doe h SER 823 Ca 0.60 0.00 -0.55 0.00 -1.23 0.00 0.00 61.79 60.61 2doe h SER 823 Cb 1.59 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.51 2doe h SER 823 CO -0.29 0.01 0.06 -0.62 -0.53 0.00 0.00 176.83 175.47 2doe s ASP 824 N -6.10 7.20 0.37 6.23 -1.08 0.17 -4.98 116.67 118.49 2doe s ASP 824 Ca -0.05 1.43 0.16 0.00 -0.52 0.00 0.00 52.55 53.58 2doe s ASP 824 Cb 0.20 -2.42 0.73 0.00 -1.46 0.00 0.00 42.92 39.97 2doe s ASP 824 CO 0.74 0.24 1.78 1.55 0.52 0.00 0.00 175.17 180.00 2doe h PRO 825 N 4.40 0.00 -0.78 4.34 0.13 -1.83 -3.05 132.00 135.21 2doe h PRO 825 Ca -0.48 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.70 2doe h PRO 825 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 2doe h PRO 825 CO 0.65 0.38 0.51 0.00 -0.23 0.00 0.00 178.00 179.31 2doe h ARG 826 N 0.00 0.87 -0.24 0.86 3.08 -1.93 -0.95 114.38 116.06 2doe h ARG 826 Ca -0.00 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2doe h ARG 826 Cb 0.78 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2doe h ARG 826 CO 0.05 0.57 0.11 -0.92 -1.07 0.00 0.00 179.97 178.72 2doe h TYR 827 N 0.89 0.31 0.00 3.04 5.03 -1.78 -0.69 116.97 123.77 2doe h TYR 827 Ca 0.33 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.61 2doe h TYR 827 Cb 0.15 -0.10 -0.00 0.00 1.55 0.00 0.00 36.73 38.33 2doe h TYR 827 CO -0.00 0.24 -0.12 0.87 -1.32 0.00 0.00 178.16 177.83 2doe h LYS 828 N 0.33 0.00 -0.44 1.82 1.57 -1.31 -3.12 116.57 115.41 2doe h LYS 828 Ca 0.09 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.95 2doe h LYS 828 Cb 0.04 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.27 2doe h LYS 828 CO -0.01 0.12 -0.12 0.00 -0.57 0.00 0.00 179.45 178.86 2doe h ALA 829 N 1.88 0.27 -1.21 3.86 0.00 -1.07 -3.34 119.26 119.64 2doe h ALA 829 Ca -0.00 0.17 -0.47 0.00 0.00 0.00 0.00 54.91 54.61 2doe h ALA 829 Cb 0.52 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.61 2doe h ALA 829 CO 0.02 -0.46 1.15 0.08 0.00 0.00 0.00 179.25 180.04 2doe s VAL 830 N -6.21 3.53 0.12 0.00 1.01 -1.18 -4.82 120.40 112.85 2doe s VAL 830 Ca -0.14 -0.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.69 2doe s VAL 830 Cb 0.15 -4.31 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 2doe s VAL 830 CO 0.71 -1.26 1.41 -0.78 0.00 0.00 0.00 175.10 175.18 2doe h ASP 831 N 12.31 0.98 -2.76 3.32 1.82 -1.87 -3.43 116.42 126.78 2doe h ASP 831 Ca -0.11 -0.53 -0.56 0.00 -0.39 0.00 0.00 57.03 55.44 2doe h ASP 831 Cb 1.08 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.78 2doe h ASP 831 CO 1.26 1.32 1.01 -0.55 -1.61 0.00 0.00 179.24 180.67 2doe s SER 832 N -6.93 6.75 0.12 2.28 0.15 -1.26 -4.91 113.70 109.91 2doe s SER 832 Ca -0.11 1.93 -0.15 0.00 0.70 0.00 0.00 55.95 58.31 2doe s SER 832 Cb 0.10 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.86 2doe s SER 832 CO 0.89 -0.89 1.61 0.28 1.20 0.00 0.00 173.24 176.32 2doe h SER 833 N 9.10 0.61 -0.95 5.45 0.02 -2.01 -2.90 113.55 122.87 2doe h SER 833 Ca -0.33 -0.25 0.23 0.00 -0.84 0.00 0.00 61.79 60.60 2doe h SER 833 Cb 1.14 -0.16 -0.12 0.00 0.14 0.00 0.00 62.40 63.40 2doe h SER 833 CO 0.97 0.71 0.50 0.28 -1.14 0.00 0.00 176.83 178.14 2doe h SER 834 N 0.49 0.51 -0.80 3.07 0.02 -1.98 0.25 113.55 115.11 2doe h SER 834 Ca 0.12 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.20 2doe h SER 834 Cb 0.35 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2doe h SER 834 CO 0.01 0.06 0.44 0.24 -1.14 0.00 0.00 176.83 176.44 2doe h MET 835 N 0.50 1.12 0.76 3.45 2.86 -1.92 0.20 114.93 121.90 2doe h MET 835 Ca 0.60 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 58.07 2doe h MET 835 Cb 1.13 -0.22 0.01 0.00 0.06 0.00 0.00 31.60 32.58 2doe h MET 835 CO -0.50 0.82 -0.37 0.00 1.06 0.00 0.00 176.91 177.93 2doe h ARG 836 N 1.11 -0.99 -0.16 1.72 3.08 -0.51 0.33 114.38 118.96 2doe h ARG 836 Ca 0.28 0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 2doe h ARG 836 Cb 0.03 0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2doe h ARG 836 CO -0.05 -0.66 0.09 0.93 -1.07 0.00 0.00 179.97 179.21 2doe h GLU 837 N -1.03 0.22 0.35 0.04 5.08 -1.33 -0.31 114.58 117.60 2doe h GLU 837 Ca -0.10 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2doe h GLU 837 Cb 0.79 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 2doe h GLU 837 CO 0.17 0.23 -0.21 0.22 -1.00 0.00 0.00 179.01 178.42 2doe h ASP 838 N 0.15 -0.52 -0.14 1.42 3.58 -0.57 0.65 116.42 121.00 2doe h ASP 838 Ca 0.05 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.56 2doe h ASP 838 Cb 0.07 0.15 -0.07 0.00 1.72 0.00 0.00 39.33 41.21 2doe h ASP 838 CO -0.01 -0.32 -0.53 -0.07 -2.88 0.00 0.00 179.24 175.43 2doe h LEU 839 N -0.51 -1.67 -0.40 2.28 3.38 -0.39 0.20 115.31 118.19 2doe h LEU 839 Ca -0.05 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.20 2doe h LEU 839 Cb 0.41 0.66 -0.09 0.00 0.09 0.00 0.00 40.66 41.72 2doe h LEU 839 CO 0.05 -0.48 -0.39 0.15 0.09 0.00 0.00 178.44 177.86 2doe h PHE 840 N -0.57 -1.12 -0.29 1.13 3.57 -1.08 -1.15 116.94 117.44 2doe h PHE 840 Ca 0.04 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.66 2doe h PHE 840 Cb 0.68 0.55 -0.06 0.00 2.79 0.00 0.00 35.95 39.91 2doe h PHE 840 CO -0.57 -0.42 -0.09 0.87 -2.23 0.00 0.00 178.31 175.86 2doe h LYS 841 N -0.30 -0.03 -0.27 1.11 1.57 -0.27 -1.71 116.57 116.66 2doe h LYS 841 Ca 0.15 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 2doe h LYS 841 Cb 0.57 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.81 2doe h LYS 841 CO -0.56 -0.02 -0.43 1.96 -0.57 0.00 0.00 179.45 179.84 2doe h GLN 842 N -0.03 -0.39 0.07 3.15 4.20 0.51 0.23 115.11 122.85 2doe h GLN 842 Ca 0.14 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.90 2doe h GLN 842 Cb 0.24 0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 2doe h GLN 842 CO -0.31 -0.26 -0.38 -0.92 -0.67 0.00 0.00 178.83 176.29 2doe h TYR 843 N -0.41 -1.05 -0.64 2.96 5.03 -0.88 -2.00 116.97 119.97 2doe h TYR 843 Ca 0.11 0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.57 2doe h TYR 843 Cb 0.60 0.45 -0.09 0.00 1.55 0.00 0.00 36.73 39.25 2doe h TYR 843 CO -0.56 -0.47 0.17 0.82 -1.32 0.00 0.00 178.16 176.80 2doe h ILE 844 N -0.57 0.64 -0.66 1.81 1.08 -0.78 -0.85 117.51 118.18 2doe h ILE 844 Ca 0.04 -0.10 0.12 0.00 -0.39 0.00 0.00 64.86 64.52 2doe h ILE 844 Cb 0.63 0.31 -0.09 0.00 -3.07 0.00 0.00 36.82 34.60 2doe h ILE 844 CO -0.25 0.06 0.21 -0.33 -0.69 0.00 0.00 178.15 177.14 2doe h GLU 845 N 0.30 0.35 -0.59 2.37 4.39 0.12 -0.82 114.58 120.70 2doe h GLU 845 Ca 0.34 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2doe h GLU 845 Cb 0.51 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 2doe h GLU 845 CO -0.41 0.23 0.38 -0.22 -1.16 0.00 0.00 179.01 177.83 2doe h LYS 846 N 0.36 0.79 0.80 2.33 3.64 -0.51 -2.85 116.57 121.13 2doe h LYS 846 Ca 0.35 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.63 2doe h LYS 846 Cb 0.50 -0.17 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 2doe h LYS 846 CO -0.38 0.55 -0.40 0.82 -2.27 0.00 0.00 179.45 177.77 2doe h ILE 847 N 0.80 0.00 -0.51 2.00 2.04 -0.63 0.38 117.51 121.60 2doe h ILE 847 Ca 0.22 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.12 2doe h ILE 847 Cb -0.06 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 35.96 2doe h ILE 847 CO -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 178.15 177.81 2doe n ALA 848 N -2.56 -0.33 0.20 1.87 0.00 -0.44 -1.44 120.51 117.82 2doe n ALA 848 Ca -0.13 0.43 -0.15 0.00 0.00 0.00 0.00 53.44 53.59 2doe n ALA 848 Cb 0.43 0.15 -0.08 0.00 0.00 0.00 0.00 19.45 19.95 2doe n ALA 848 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2doe h LYS 849 N 0.00 -0.45 -3.71 0.00 2.10 -1.53 -3.34 116.57 109.64 2doe h LYS 849 Ca 0.08 0.03 -0.75 0.00 -2.00 0.00 0.00 60.65 58.01 2doe h LYS 849 Cb 0.21 0.10 -0.30 0.00 -0.90 0.00 0.00 32.23 31.34 2doe h LYS 849 CO -0.48 -0.30 -0.09 1.21 -2.00 0.00 0.00 179.45 177.80 2doe s ASN 850 N -4.79 6.13 0.15 7.07 2.47 0.13 -5.05 114.94 121.05 2doe s ASN 850 Ca -0.15 -2.79 -0.31 0.00 0.42 0.00 0.00 52.86 50.02 2doe s ASN 850 Cb 0.05 -2.06 -0.09 0.00 -1.45 0.00 0.00 41.25 37.70 2doe s ASN 850 CO 0.64 -0.48 1.49 -0.76 -3.72 0.00 0.00 177.10 174.27 2doe s LEU 851 N 0.02 4.37 0.41 3.21 1.02 -0.52 -4.12 118.68 123.06 2doe s LEU 851 Ca 0.18 2.51 0.07 0.00 0.02 0.00 0.00 54.13 56.91 2doe s LEU 851 Cb -0.14 -3.59 -0.07 0.00 0.02 0.00 0.00 46.19 42.41 2doe s LEU 851 CO -0.07 -0.75 0.07 -1.81 0.02 0.00 0.00 176.35 173.81 2doe s ASP 852 N 1.06 4.08 0.08 2.29 1.01 -1.26 -5.11 116.67 118.83 2doe s ASP 852 Ca 0.67 -1.25 0.03 0.00 0.71 0.00 0.00 52.55 52.71 2doe s ASP 852 Cb -0.41 -0.43 -0.03 0.00 1.01 0.00 0.00 42.92 43.06 2doe s ASP 852 CO 0.32 -0.47 -0.09 -0.44 0.21 0.00 0.00 175.17 174.70 2doe s SER 853 N -3.78 1.29 -0.17 0.27 0.01 -1.26 -5.15 113.70 104.91 2doe s SER 853 Ca 0.37 -0.78 -0.05 0.00 1.31 0.00 0.00 55.95 56.80 2doe s SER 853 Cb 0.07 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.30 2doe s SER 853 CO 0.20 -0.28 0.00 -0.44 0.41 0.00 0.00 173.24 173.13 2doe s SER 854 N -2.34 5.08 0.00 2.44 0.01 -1.26 -4.95 113.70 112.69 2doe s SER 854 Ca 0.03 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2doe s SER 854 Cb -0.03 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.35 2doe s SER 854 CO -0.01 0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.41 2doe n GLY 855 N 3.65 -1.28 0.20 3.44 0.00 -1.26 -4.97 105.19 104.98 2doe n GLY 855 Ca -0.17 0.48 0.06 0.00 0.00 0.00 0.00 46.02 46.39 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 -5.98 1.61 0.13 -1.97 -3.43 132.00 122.36 2doe h PRO 856 Ca 0.00 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.56 2doe h PRO 856 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2doe h PRO 856 CO 0.00 0.34 0.29 0.45 -0.23 0.00 0.00 178.00 178.85 2doe s SER 857 N -6.52 6.98 -0.37 1.44 0.15 -1.26 -4.96 113.70 109.16 2doe s SER 857 Ca -0.01 1.19 -0.37 0.00 0.70 0.00 0.00 55.95 57.46 2doe s SER 857 Cb 0.12 -2.44 -0.13 0.00 -1.71 0.00 0.00 66.02 61.86 2doe s SER 857 CO 0.68 -0.31 2.17 -1.54 1.20 0.00 0.00 173.24 175.45 2doe n SER 858 N 4.75 1.92 0.00 5.45 3.41 -1.26 -4.98 113.62 122.91 2doe n SER 858 Ca 0.03 0.46 0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2doe n SER 858 Cb 0.50 -1.20 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 2doe n SER 858 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49