#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 4.40 0.49 1.61 0.15 -1.26 -5.03 113.70 114.07 2doe s SER 778 Ca 0.00 1.78 -0.12 0.00 0.70 0.00 0.00 55.95 58.31 2doe s SER 778 Cb 0.00 -2.48 -0.06 0.00 -1.71 0.00 0.00 66.02 61.77 2doe s SER 778 CO 0.00 -2.09 0.89 -0.44 1.20 0.00 0.00 173.24 172.80 2doe s SER 779 N -3.41 6.47 0.00 5.45 0.01 -1.26 -5.00 113.70 115.97 2doe s SER 779 Ca 0.61 1.31 0.00 0.00 1.31 0.00 0.00 55.95 59.18 2doe s SER 779 Cb -0.17 -2.40 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2doe s SER 779 CO 0.56 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 174.25 2doe n GLY 780 N -1.78 3.82 3.76 3.44 0.00 -1.26 -5.11 105.19 108.07 2doe n GLY 780 Ca 0.04 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 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 4.88 0.37 1.61 0.01 -1.26 -5.01 113.70 114.30 2doe s SER 781 Ca 0.00 2.07 -0.23 0.00 1.31 0.00 0.00 55.95 59.10 2doe s SER 781 Cb 0.00 -2.56 -0.10 0.00 0.21 0.00 0.00 66.02 63.57 2doe s SER 781 CO 0.00 -1.79 0.94 -0.55 0.41 0.00 0.00 173.24 172.25 2doe s SER 782 N -2.49 7.14 0.00 2.44 0.15 -1.26 -5.02 113.70 114.66 2doe s SER 782 Ca 0.68 1.75 0.00 0.00 0.70 0.00 0.00 55.95 59.08 2doe s SER 782 Cb -0.22 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2doe s SER 782 CO 0.43 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2doe n GLY 783 N 0.02 3.55 0.96 9.45 0.00 -1.26 -5.08 105.19 112.83 2doe n GLY 783 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.25 0.00 -3.85 1.61 1.02 -1.26 -4.99 120.64 111.92 2doe n GLU 784 Ca 0.00 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2doe n GLU 784 Cb 0.00 -0.36 -0.12 0.00 -0.02 0.00 0.00 31.44 30.94 2doe n GLU 784 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2doe s LYS 785 N -1.69 2.21 0.41 3.49 3.01 -1.26 -5.09 119.74 120.83 2doe s LYS 785 Ca 0.00 -2.55 0.06 0.00 -1.01 0.00 0.00 55.97 52.48 2doe s LYS 785 Cb 0.00 -3.50 0.01 0.00 -1.01 0.00 0.00 37.83 33.33 2doe s LYS 785 CO 0.00 -1.13 0.57 -1.21 0.51 0.00 0.00 175.35 174.09 2doe s GLU 786 N -0.13 2.91 0.28 1.68 2.02 -1.26 -5.03 118.70 119.17 2doe s GLU 786 Ca 0.17 -1.06 -0.18 0.00 0.02 0.00 0.00 54.97 53.92 2doe s GLU 786 Cb -0.23 -2.74 -0.13 0.00 0.10 0.00 0.00 34.13 31.13 2doe s GLU 786 CO -0.02 -0.20 0.16 -0.40 0.02 0.00 0.00 175.26 174.82 2doe n ASP 787 N -1.85 -1.95 -4.03 -0.19 5.68 -1.26 -4.91 116.55 108.04 2doe n ASP 787 Ca 0.05 0.71 -0.33 0.00 -0.50 0.00 0.00 54.79 54.72 2doe n ASP 787 Cb 0.59 -0.72 -0.12 0.00 -1.14 0.00 0.00 41.12 39.73 2doe n ASP 787 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2doe s SER 788 N -0.80 4.82 -0.16 -1.12 0.01 -1.26 -4.92 113.70 110.27 2doe s SER 788 Ca 0.48 -2.82 -0.26 0.00 1.31 0.00 0.00 55.95 54.66 2doe s SER 788 Cb -0.57 -1.75 -0.24 0.00 0.21 0.00 0.00 66.02 63.67 2doe s SER 788 CO 0.49 -0.32 0.59 0.11 0.41 0.00 0.00 173.24 174.51 2doe h LYS 789 N 6.91 0.01 0.00 12.44 6.56 -2.00 -3.33 116.57 137.16 2doe h LYS 789 Ca -0.05 -0.02 -0.10 0.00 -1.06 0.00 0.00 60.65 59.41 2doe h LYS 789 Cb 0.94 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.59 2doe h LYS 789 CO 0.69 1.01 -0.82 1.15 -2.06 0.00 0.00 179.45 179.42 2doe h THR 790 N -0.97 0.43 -0.99 -0.16 2.02 -2.02 -3.38 112.91 107.84 2doe h THR 790 Ca -0.13 -1.54 0.14 0.00 0.77 0.00 0.00 66.41 65.65 2doe h THR 790 Cb 1.14 1.03 -0.15 0.00 -1.74 0.00 0.00 68.15 68.43 2doe h THR 790 CO -0.06 0.15 -0.43 -1.14 0.37 0.00 0.00 175.52 174.40 2doe n ARG 791 N -4.54 -0.27 -0.30 6.66 0.63 -1.26 0.30 116.66 117.87 2doe n ARG 791 Ca -0.18 1.53 0.12 0.00 -0.92 0.00 0.00 57.85 58.40 2doe n ARG 791 Cb 0.44 -2.26 0.27 0.00 0.45 0.00 0.00 32.46 31.36 2doe n ARG 791 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2doe h GLY 792 N 0.00 1.23 -0.08 5.14 0.00 -1.77 -0.24 103.07 107.35 2doe h GLY 792 Ca 0.31 0.05 0.06 0.00 0.00 0.00 0.00 47.33 47.75 2doe h GLY 792 CO -0.98 -0.41 -0.37 -2.09 0.00 0.00 0.00 176.54 172.70 2doe h GLU 793 N 0.12 -0.35 -0.23 4.80 4.22 -0.33 -1.56 114.58 121.25 2doe h GLU 793 Ca 0.54 0.02 0.05 0.00 0.08 0.00 0.00 59.36 60.05 2doe h GLU 793 Cb 1.09 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 2doe h GLU 793 CO -0.74 -0.23 -0.47 -0.22 -2.18 0.00 0.00 179.01 175.17 2doe h LYS 794 N -0.36 -0.45 -0.78 1.92 1.63 -1.00 -0.74 116.57 116.78 2doe h LYS 794 Ca 0.12 0.03 0.18 0.00 -0.85 0.00 0.00 60.65 60.14 2doe h LYS 794 Cb 0.57 0.10 -0.13 0.00 -0.60 0.00 0.00 32.23 32.18 2doe h LYS 794 CO -0.47 -0.30 0.11 0.82 -3.45 0.00 0.00 179.45 176.16 2doe h ILE 795 N -0.47 0.39 0.66 2.00 2.04 -1.22 -1.70 117.51 119.22 2doe h ILE 795 Ca 0.08 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 2doe h ILE 795 Cb 0.63 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2doe h ILE 795 CO -0.47 0.03 -0.50 0.50 0.00 0.00 0.00 178.15 177.70 2doe h LYS 796 N 0.18 -1.08 -0.73 2.37 3.64 -0.19 -2.16 116.57 118.59 2doe h LYS 796 Ca 0.45 0.07 0.11 0.00 -1.27 0.00 0.00 60.65 60.01 2doe h LYS 796 Cb 0.81 0.25 -0.12 0.00 -0.41 0.00 0.00 32.23 32.75 2doe h LYS 796 CO -0.61 -0.72 -0.40 1.03 -2.27 0.00 0.00 179.45 176.47 2doe h SER 797 N -1.12 -1.43 -0.39 4.20 0.87 -0.41 0.22 113.55 115.48 2doe h SER 797 Ca -0.09 0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.82 2doe h SER 797 Cb 0.93 0.69 -0.09 0.00 -0.44 0.00 0.00 62.40 63.49 2doe h SER 797 CO 0.02 -0.31 -0.27 0.44 -0.53 0.00 0.00 176.83 176.19 2doe h ASP 798 N -0.13 -0.90 -0.19 6.23 5.19 -1.23 -0.36 116.42 125.02 2doe h ASP 798 Ca 0.24 0.17 0.05 0.00 -0.62 0.00 0.00 57.03 56.87 2doe h ASP 798 Cb 0.56 0.44 -0.07 0.00 0.18 0.00 0.00 39.33 40.44 2doe h ASP 798 CO -0.79 -0.29 -0.45 0.15 -3.12 0.00 0.00 179.24 174.74 2doe h PHE 799 N -0.21 -1.32 -0.33 4.55 3.57 -0.32 -1.85 116.94 121.04 2doe h PHE 799 Ca 0.18 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.81 2doe h PHE 799 Cb 0.50 0.61 -0.07 0.00 2.79 0.00 0.00 35.95 39.77 2doe h PHE 799 CO -0.49 -0.49 -0.13 0.74 -2.23 0.00 0.00 178.31 175.71 2doe h PHE 800 N -0.48 -0.31 -0.63 0.41 0.04 -0.69 -2.28 116.94 113.00 2doe h PHE 800 Ca 0.08 0.03 0.09 0.00 2.80 0.00 0.00 57.97 60.97 2doe h PHE 800 Cb 0.63 0.19 -0.11 0.00 2.20 0.00 0.00 35.95 38.86 2doe h PHE 800 CO -0.54 -0.20 -0.46 0.93 -0.60 0.00 0.00 178.31 177.44 2doe h GLU 801 N -0.07 -0.20 0.28 1.51 4.39 -0.30 0.16 114.58 120.34 2doe h GLU 801 Ca 0.16 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 2doe h GLU 801 Cb 0.32 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2doe h GLU 801 CO -0.38 -0.13 -0.43 1.25 -1.16 0.00 0.00 179.01 178.16 2doe h LEU 802 N -0.21 -1.24 -0.43 1.33 5.85 -0.91 0.14 115.31 119.85 2doe h LEU 802 Ca 0.18 0.11 0.04 0.00 0.84 0.00 0.00 57.88 59.06 2doe h LEU 802 Cb 0.56 0.43 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 2doe h LEU 802 CO -0.72 -0.52 -0.37 -0.07 -0.34 0.00 0.00 178.44 176.42 2doe h LEU 803 N -0.75 -1.29 -0.72 2.25 3.38 -0.85 0.58 115.31 117.90 2doe h LEU 803 Ca -0.03 0.18 0.16 0.00 0.09 0.00 0.00 57.88 58.28 2doe h LEU 803 Cb 0.69 0.55 -0.11 0.00 0.09 0.00 0.00 40.66 41.87 2doe h LEU 803 CO -0.14 -0.21 0.12 0.77 0.09 0.00 0.00 178.44 179.07 2doe h SER 804 N -0.15 -0.09 -0.23 -0.43 4.64 -0.88 0.60 113.55 117.01 2doe h SER 804 Ca 0.07 0.16 0.07 0.00 -0.47 0.00 0.00 61.79 61.62 2doe h SER 804 Cb 0.33 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2doe h SER 804 CO -0.48 -0.08 0.22 0.78 -0.87 0.00 0.00 176.83 176.40 2doe h ASN 805 N 0.21 0.00 -0.21 4.97 4.21 0.12 -0.61 115.58 124.28 2doe h ASN 805 Ca 0.40 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.80 2doe h ASN 805 Cb 0.70 0.00 -0.06 0.00 -1.12 0.00 0.00 38.32 37.83 2doe h ASN 805 CO -0.54 0.00 0.14 1.41 -1.29 0.00 0.00 177.43 177.15 2doe n HIS 806 N -3.98 0.64 -3.91 1.19 8.25 0.21 -4.85 115.22 112.77 2doe n HIS 806 Ca 0.03 -0.84 -0.29 0.00 -0.26 0.00 0.00 57.72 56.36 2doe n HIS 806 Cb 0.36 -0.42 -0.03 0.00 1.12 0.00 0.00 29.99 31.02 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 0.24 -0.95 -0.93 4.41 8.25 -0.23 -4.79 115.22 121.22 2doe n HIS 807 Ca 0.12 0.23 -0.36 0.00 -0.26 0.00 0.00 57.72 57.46 2doe n HIS 807 Cb 0.72 -2.01 0.06 0.00 1.12 0.00 0.00 29.99 29.89 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 -3.78 -3.83 -4.09 2.41 4.77 -1.25 -5.02 117.00 106.21 2doe n LEU 808 Ca -0.16 0.11 -0.13 0.00 -0.03 0.00 0.00 56.01 55.80 2doe n LEU 808 Cb 0.46 -0.77 -0.05 0.00 -2.33 0.00 0.00 43.42 40.72 2doe n LEU 808 CO 0.58 -4.28 0.10 -1.81 -1.33 0.00 0.00 177.39 170.65 2doe s ASP 809 N -1.25 0.63 0.11 -1.43 1.11 -1.26 -5.06 116.67 109.52 2doe s ASP 809 Ca 0.43 -1.36 -0.13 0.00 0.18 0.00 0.00 52.55 51.67 2doe s ASP 809 Cb -0.09 0.61 -0.11 0.00 1.07 0.00 0.00 42.92 44.41 2doe s ASP 809 CO 0.74 -1.21 1.38 -1.28 1.18 0.00 0.00 175.17 175.98 2doe h SER 810 N 2.20 0.91 -0.29 0.27 0.87 -1.95 -3.04 113.55 112.52 2doe h SER 810 Ca -0.29 -0.55 -0.15 0.00 -1.23 0.00 0.00 61.79 59.58 2doe h SER 810 Cb 1.24 -0.26 -0.09 0.00 -0.44 0.00 0.00 62.40 62.85 2doe h SER 810 CO 0.40 1.28 0.19 1.67 -0.53 0.00 0.00 176.83 179.84 2doe n GLN 811 N -4.07 1.36 -1.96 2.24 -0.06 -1.26 -4.92 117.38 108.72 2doe n GLN 811 Ca -0.05 -0.87 -0.42 0.00 -2.00 0.00 0.00 57.00 53.66 2doe n GLN 811 Cb 0.61 -1.34 -0.03 0.00 -4.06 0.00 0.00 30.24 25.42 2doe n GLN 811 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2doe s SER 812 N 0.34 6.63 -0.43 1.69 1.04 -1.15 -4.97 113.70 116.85 2doe s SER 812 Ca 0.16 2.41 -0.12 0.00 0.48 0.00 0.00 55.95 58.89 2doe s SER 812 Cb 0.14 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.77 2doe s SER 812 CO 0.03 -0.88 0.31 -0.13 0.98 0.00 0.00 173.24 173.55 2doe s ARG 813 N 2.87 2.81 0.10 4.02 1.81 -1.26 -4.98 118.95 124.31 2doe s ARG 813 Ca 0.73 -1.33 -0.19 0.00 -1.72 0.00 0.00 55.73 53.22 2doe s ARG 813 Cb -0.38 -3.92 -0.04 0.00 -0.45 0.00 0.00 34.95 30.15 2doe s ARG 813 CO 0.32 -0.93 1.04 1.87 -0.68 0.00 0.00 175.30 176.91 2doe n TRP 814 N 5.06 -0.27 -0.33 -0.53 -0.00 -1.26 0.19 117.44 120.30 2doe n TRP 814 Ca -0.11 0.76 0.26 0.00 -0.00 0.00 0.00 57.50 58.41 2doe n TRP 814 Cb 0.44 -0.53 0.49 0.00 -0.00 0.00 0.00 31.31 31.71 2doe n TRP 814 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 2doe h SER 815 N 0.00 0.11 0.23 5.87 4.64 -1.98 0.51 113.55 122.93 2doe h SER 815 Ca 0.10 0.26 -0.01 0.00 -0.47 0.00 0.00 61.79 61.66 2doe h SER 815 Cb 0.25 0.32 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 2doe h SER 815 CO -0.57 -0.38 -0.11 0.11 -0.87 0.00 0.00 176.83 175.00 2doe h LYS 816 N 0.03 -0.30 -0.85 4.77 1.79 0.16 -1.92 116.57 120.26 2doe h LYS 816 Ca 0.76 0.02 0.25 0.00 -2.18 0.00 0.00 60.65 59.50 2doe h LYS 816 Cb 1.90 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 32.58 2doe h LYS 816 CO -0.80 -0.20 0.80 -0.24 -1.08 0.00 0.00 179.45 177.93 2doe h VAL 817 N -0.69 0.27 0.22 0.50 3.04 -0.02 0.47 116.25 120.03 2doe h VAL 817 Ca -0.03 0.00 -0.30 0.00 -1.01 0.00 0.00 66.70 65.36 2doe h VAL 817 Cb 0.24 0.39 0.03 0.00 -2.01 0.00 0.00 31.29 29.94 2doe h VAL 817 CO 0.05 0.00 -1.29 0.50 -1.01 0.00 0.00 177.57 175.82 2doe h LYS 818 N 0.00 0.49 0.00 4.17 3.64 -0.05 -2.03 116.57 122.79 2doe h LYS 818 Ca 0.40 -0.82 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2doe h LYS 818 Cb 1.99 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 34.11 2doe h LYS 818 CO -0.00 1.39 0.00 0.22 -2.27 0.00 0.00 179.45 178.79 2doe h ASP 819 N 0.03 0.00 0.11 4.20 1.82 0.68 0.22 116.42 123.48 2doe h ASP 819 Ca -0.22 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 56.05 2doe h ASP 819 Cb 2.02 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 42.00 2doe h ASP 819 CO 0.24 0.00 -2.07 0.29 -1.61 0.00 0.00 179.24 176.09 2doe n LYS 820 N -2.65 0.74 0.11 0.28 4.76 -0.10 -4.35 118.16 116.95 2doe n LYS 820 Ca 0.02 0.24 -0.17 0.00 -2.87 0.00 0.00 58.31 55.54 2doe n LYS 820 Cb 0.29 -1.68 -0.14 0.00 -1.84 0.00 0.00 35.03 31.66 2doe n LYS 820 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 2doe h VAL 821 N 0.06 1.48 -1.43 -0.18 -1.51 -1.29 -3.29 116.25 110.10 2doe h VAL 821 Ca -0.45 -3.04 0.41 0.00 -1.23 0.00 0.00 66.70 62.40 2doe h VAL 821 Cb 2.02 2.95 -0.06 0.00 -2.13 0.00 0.00 31.29 34.07 2doe h VAL 821 CO 0.06 0.89 1.28 -1.84 -1.23 0.00 0.00 177.57 176.73 2doe n GLU 822 N -3.54 0.01 -0.26 5.19 0.28 0.76 0.24 120.64 123.31 2doe n GLU 822 Ca -0.09 1.02 -0.03 0.00 -0.16 0.00 0.00 57.16 57.90 2doe n GLU 822 Cb 1.03 -2.44 0.06 0.00 1.43 0.00 0.00 31.44 31.52 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 -3.49 2.75 -3.95 -1.84 2.88 -1.24 -4.79 113.62 103.95 2doe n SER 823 Ca 0.32 -2.31 -0.15 0.00 -1.33 0.00 0.00 58.87 55.39 2doe n SER 823 Cb 1.71 -0.57 -0.14 0.00 -0.75 0.00 0.00 64.21 64.46 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 0.20 0.53 0.31 -3.46 -1.08 0.65 -5.04 116.67 108.78 2doe s ASP 824 Ca 0.13 -0.08 0.10 0.00 -0.52 0.00 0.00 52.55 52.18 2doe s ASP 824 Cb 0.11 -0.06 0.50 0.00 -1.46 0.00 0.00 42.92 42.01 2doe s ASP 824 CO 0.03 0.05 1.71 1.55 0.52 0.00 0.00 175.17 179.03 2doe h PRO 825 N 6.04 0.07 -0.54 4.34 0.13 -1.86 -3.03 132.00 137.16 2doe h PRO 825 Ca -0.27 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.82 2doe h PRO 825 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2doe h PRO 825 CO 0.50 0.54 0.36 0.00 -0.23 0.00 0.00 178.00 179.17 2doe h ARG 826 N 0.06 0.70 0.00 0.86 3.08 -1.96 -1.18 114.38 115.94 2doe h ARG 826 Ca 0.00 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 2doe h ARG 826 Cb 0.87 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.76 2doe h ARG 826 CO 0.07 0.46 -0.12 -0.92 -1.07 0.00 0.00 179.97 178.40 2doe h TYR 827 N 0.72 0.00 0.00 3.04 5.03 -1.82 -1.32 116.97 122.62 2doe h TYR 827 Ca 0.20 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.44 2doe h TYR 827 Cb -0.08 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.19 2doe h TYR 827 CO -0.00 0.12 -0.34 0.87 -1.32 0.00 0.00 178.16 177.49 2doe h LYS 828 N 0.00 0.00 -0.93 1.82 1.57 -1.33 -3.19 116.57 114.51 2doe h LYS 828 Ca -0.00 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 59.05 2doe h LYS 828 Cb 0.21 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 32.36 2doe h LYS 828 CO 0.01 0.34 0.20 0.00 -0.57 0.00 0.00 179.45 179.44 2doe h ALA 829 N 1.66 1.35 -1.93 3.86 0.00 -1.20 -3.35 119.26 119.64 2doe h ALA 829 Ca -0.00 0.27 -0.57 0.00 0.00 0.00 0.00 54.91 54.60 2doe h ALA 829 Cb 0.81 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.96 2doe h ALA 829 CO 0.04 -0.56 0.91 0.08 0.00 0.00 0.00 179.25 179.72 2doe s VAL 830 N -5.91 4.32 -0.13 0.00 1.01 -1.21 -4.91 120.40 113.57 2doe s VAL 830 Ca -0.12 1.49 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 2doe s VAL 830 Cb 0.28 -4.32 -0.25 0.00 0.00 0.00 0.00 36.38 32.08 2doe s VAL 830 CO 0.77 -0.53 0.57 -2.24 0.00 0.00 0.00 175.10 173.68 2doe h ASP 831 N 8.73 0.19 -3.02 3.32 3.04 -1.90 -3.44 116.42 123.33 2doe h ASP 831 Ca -0.23 -0.82 -0.57 0.00 -3.24 0.00 0.00 57.03 52.17 2doe h ASP 831 Cb 1.08 -0.06 -0.04 0.00 -1.04 0.00 0.00 39.33 39.26 2doe h ASP 831 CO 1.04 1.38 1.16 -0.44 -2.04 0.00 0.00 179.24 180.34 2doe s SER 832 N -6.75 6.15 0.31 4.15 0.01 -1.26 -4.87 113.70 111.44 2doe s SER 832 Ca -0.21 1.03 0.08 0.00 1.31 0.00 0.00 55.95 58.16 2doe s SER 832 Cb 0.02 -2.53 0.87 0.00 0.21 0.00 0.00 66.02 64.59 2doe s SER 832 CO 0.71 -1.55 1.68 0.28 0.41 0.00 0.00 173.24 174.77 2doe h SER 833 N 11.61 0.35 0.07 2.44 0.02 -2.02 -1.75 113.55 124.27 2doe h SER 833 Ca -0.30 0.18 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2doe h SER 833 Cb 1.13 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 2doe h SER 833 CO 1.06 -0.08 -0.33 0.28 -1.14 0.00 0.00 176.83 176.63 2doe h SER 834 N 0.35 -0.99 -0.72 3.07 0.02 -1.99 -1.90 113.55 111.39 2doe h SER 834 Ca 0.63 0.10 0.17 0.00 -0.84 0.00 0.00 61.79 61.86 2doe h SER 834 Cb 1.31 0.37 -0.14 0.00 0.14 0.00 0.00 62.40 64.08 2doe h SER 834 CO -0.58 -0.34 -0.08 0.23 -1.14 0.00 0.00 176.83 174.92 2doe n MET 835 N -4.30 -0.06 0.34 3.45 2.00 -0.66 0.65 117.12 118.53 2doe n MET 835 Ca -0.05 1.10 -0.17 0.00 0.00 0.00 0.00 57.70 58.58 2doe n MET 835 Cb 0.25 -1.70 -0.09 0.00 0.00 0.00 0.00 33.22 31.69 2doe n MET 835 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2doe h ARG 836 N 0.00 -0.84 0.28 0.03 3.08 -1.36 0.47 114.38 116.04 2doe h ARG 836 Ca 0.39 0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.50 2doe h ARG 836 Cb 0.72 0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 2doe h ARG 836 CO -0.71 -0.56 -0.25 0.93 -1.07 0.00 0.00 179.97 178.32 2doe h GLU 837 N -0.87 -0.52 0.46 0.04 5.08 0.74 -0.44 114.58 119.07 2doe h GLU 837 Ca -0.08 0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 2doe h GLU 837 Cb 0.69 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.06 2doe h GLU 837 CO 0.10 -0.35 -0.30 0.22 -1.00 0.00 0.00 179.01 177.69 2doe h ASP 838 N -0.54 -0.76 -0.71 1.42 3.58 -0.39 -1.12 116.42 117.89 2doe h ASP 838 Ca -0.01 0.04 0.09 0.00 0.42 0.00 0.00 57.03 57.57 2doe h ASP 838 Cb 0.49 0.23 -0.11 0.00 1.72 0.00 0.00 39.33 41.66 2doe h ASP 838 CO -0.04 -0.45 -0.50 -0.07 -2.88 0.00 0.00 179.24 175.31 2doe h LEU 839 N -0.72 -1.75 -0.27 2.28 3.38 -0.06 0.22 115.31 118.40 2doe h LEU 839 Ca -0.06 0.28 0.06 0.00 0.09 0.00 0.00 57.88 58.25 2doe h LEU 839 Cb 0.58 0.78 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 2doe h LEU 839 CO 0.05 -0.32 -0.37 0.15 0.09 0.00 0.00 178.44 178.05 2doe h PHE 840 N -0.17 -1.03 -0.52 1.13 3.57 -1.03 -1.18 116.94 117.71 2doe h PHE 840 Ca 0.17 0.05 0.09 0.00 3.53 0.00 0.00 57.97 61.81 2doe h PHE 840 Cb 0.53 0.49 -0.07 0.00 2.79 0.00 0.00 35.95 39.70 2doe h PHE 840 CO -0.82 -0.42 0.13 0.87 -2.23 0.00 0.00 178.31 175.84 2doe h LYS 841 N -0.36 0.27 0.08 1.11 1.57 0.19 -2.42 116.57 117.01 2doe h LYS 841 Ca 0.12 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2doe h LYS 841 Cb 0.57 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2doe h LYS 841 CO -0.47 0.18 -0.27 1.96 -0.57 0.00 0.00 179.45 180.28 2doe h GLN 842 N 0.28 -0.38 -0.75 3.15 4.20 0.51 0.20 115.11 122.32 2doe h GLN 842 Ca 0.26 0.03 0.09 0.00 0.06 0.00 0.00 58.65 59.09 2doe h GLN 842 Cb 0.35 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 28.10 2doe h GLN 842 CO -0.32 -0.26 -0.52 -0.92 -0.67 0.00 0.00 178.83 176.14 2doe h TYR 843 N -0.40 -1.60 -0.17 2.96 5.03 -1.10 -0.38 116.97 121.30 2doe h TYR 843 Ca -0.01 0.10 0.05 0.00 2.58 0.00 0.00 58.73 61.46 2doe h TYR 843 Cb 0.39 0.80 -0.06 0.00 1.55 0.00 0.00 36.73 39.41 2doe h TYR 843 CO -0.36 -0.42 -0.23 0.82 -1.32 0.00 0.00 178.16 176.66 2doe h ILE 844 N -0.16 0.44 -0.93 1.81 1.08 -1.21 -1.44 117.51 117.10 2doe h ILE 844 Ca 0.17 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.91 2doe h ILE 844 Cb 0.52 0.44 -0.16 0.00 -3.07 0.00 0.00 36.82 34.55 2doe h ILE 844 CO -0.80 0.00 0.23 -0.08 -0.69 0.00 0.00 178.15 176.81 2doe h GLU 845 N -0.26 0.12 -0.21 2.37 4.57 0.11 0.34 114.58 121.61 2doe h GLU 845 Ca 0.11 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 2doe h GLU 845 Cb 0.44 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 2doe h GLU 845 CO -0.33 0.08 0.04 -0.22 -1.18 0.00 0.00 179.01 177.40 2doe h LYS 846 N 0.12 0.34 0.13 1.92 3.64 -0.53 -2.76 116.57 119.43 2doe h LYS 846 Ca 0.62 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.91 2doe h LYS 846 Cb 1.34 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 33.10 2doe h LYS 846 CO -0.75 0.48 -0.25 0.82 -2.27 0.00 0.00 179.45 177.48 2doe h ILE 847 N 0.14 0.00 -0.81 2.00 2.04 0.21 -2.73 117.51 118.36 2doe h ILE 847 Ca 0.06 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.07 2doe h ILE 847 Cb 0.31 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 36.24 2doe h ILE 847 CO 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.87 2doe h ALA 848 N -1.19 0.32 -0.78 1.87 0.00 -1.36 -1.05 119.26 117.07 2doe h ALA 848 Ca -0.01 0.27 0.08 0.00 0.00 0.00 0.00 54.91 55.25 2doe h ALA 848 Cb 0.38 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 2doe h ALA 848 CO -0.09 -0.52 -0.43 1.17 0.00 0.00 0.00 179.25 179.38 2doe n LYS 849 N -5.50 -0.31 -4.23 0.00 4.81 -1.04 -4.00 118.16 107.89 2doe n LYS 849 Ca 0.10 1.18 -0.34 0.00 -0.87 0.00 0.00 58.31 58.38 2doe n LYS 849 Cb 0.40 -1.74 -0.14 0.00 0.02 0.00 0.00 35.03 33.57 2doe n LYS 849 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2doe s ASN 850 N -5.37 4.27 -0.01 3.14 2.47 -0.40 -4.99 114.94 114.06 2doe s ASN 850 Ca -0.10 -0.34 -0.06 0.00 0.42 0.00 0.00 52.86 52.79 2doe s ASN 850 Cb 0.10 -1.71 -0.02 0.00 -1.45 0.00 0.00 41.25 38.18 2doe s ASN 850 CO 0.50 0.06 -0.11 0.18 -3.72 0.00 0.00 177.10 174.00 2doe n LEU 851 N 4.25 1.20 -3.51 3.21 4.77 -1.26 -4.77 117.00 120.89 2doe n LEU 851 Ca -0.18 0.18 -0.45 0.00 -0.03 0.00 0.00 56.01 55.52 2doe n LEU 851 Cb 0.52 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2doe n LEU 851 CO 0.30 -0.55 0.42 0.47 -1.33 0.00 0.00 177.39 176.69 2doe n ASP 852 N -3.64 -0.07 -4.54 -1.43 8.00 -1.26 -4.77 116.55 108.84 2doe n ASP 852 Ca -0.05 0.90 -0.42 0.00 0.71 0.00 0.00 54.79 55.94 2doe n ASP 852 Cb 0.17 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 2doe n ASP 852 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2doe s SER 853 N -0.05 6.56 -0.20 -2.24 0.15 -1.26 -4.98 113.70 111.68 2doe s SER 853 Ca 0.70 -1.66 -0.20 0.00 0.70 0.00 0.00 55.95 55.49 2doe s SER 853 Cb -0.97 -2.53 -0.03 0.00 -1.71 0.00 0.00 66.02 60.78 2doe s SER 853 CO 0.44 -1.39 0.59 -0.44 1.20 0.00 0.00 173.24 173.65 2doe s SER 854 N 4.62 6.63 0.00 5.45 0.01 -1.26 -4.93 113.70 124.22 2doe s SER 854 Ca 0.44 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2doe s SER 854 Cb -0.01 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2doe s SER 854 CO -0.09 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.93 2doe n GLY 855 N 3.87 3.17 3.56 3.44 0.00 -1.26 -4.94 105.19 113.03 2doe n GLY 855 Ca -0.03 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.84 2.54 -0.66 1.61 0.04 -1.26 -4.90 135.00 128.53 2doe s PRO 856 Ca 0.00 -0.49 -0.26 0.00 0.04 0.00 0.00 61.00 60.29 2doe s PRO 856 Cb 0.00 -5.11 -0.08 0.00 0.04 0.00 0.00 34.50 29.36 2doe s PRO 856 CO 0.00 -3.52 2.24 -1.12 0.04 0.00 0.00 177.00 174.64 2doe s SER 857 N 7.67 4.53 1.09 6.66 0.01 -1.26 -4.93 113.70 127.47 2doe s SER 857 Ca 0.70 0.38 -0.14 0.00 1.31 0.00 0.00 55.95 58.19 2doe s SER 857 Cb -0.05 -2.53 0.17 0.00 0.21 0.00 0.00 66.02 63.82 2doe s SER 857 CO 0.02 -3.06 0.60 -1.54 0.41 0.00 0.00 173.24 169.67 2doe n SER 858 N 15.86 -1.73 0.00 2.44 3.41 -1.26 -5.27 113.62 127.07 2doe n SER 858 Ca 0.37 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2doe n SER 858 Cb 0.50 -1.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 2doe n SER 858 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49