#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 n SER 752 N 0.00 -5.80 -0.74 1.61 7.64 -1.26 -4.95 113.62 110.12 1u89 n SER 752 Ca 0.00 -0.48 0.00 0.00 1.01 0.00 0.00 58.87 59.40 1u89 n SER 752 Cb 0.00 -4.63 0.00 0.00 -1.01 0.00 0.00 64.21 58.57 1u89 n SER 752 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1u89 n HIS 753 N -4.69 -0.50 -0.87 1.43 -0.00 -1.26 -5.02 115.22 104.30 1u89 n HIS 753 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 57.72 57.56 1u89 n HIS 753 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.57 1u89 n HIS 753 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 1u89 n MET 754 N 0.00 1.69 0.14 1.57 0.00 -1.26 -4.27 117.12 114.99 1u89 n MET 754 Ca 0.00 -1.24 0.01 0.00 -0.00 0.00 0.00 57.70 56.47 1u89 n MET 754 Cb 0.00 -1.55 0.17 0.00 0.00 0.00 0.00 33.22 31.84 1u89 n MET 754 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 175.97 175.41 1u89 h GLN 755 N 1.63 0.00 -0.10 2.12 -0.00 -1.94 -3.43 115.11 113.40 1u89 h GLN 755 Ca 0.23 0.00 0.19 0.00 -0.00 0.00 0.00 58.65 59.07 1u89 h GLN 755 Cb 0.95 0.00 -0.18 0.00 -0.00 0.00 0.00 27.48 28.25 1u89 h GLN 755 CO 0.56 0.57 -0.02 0.00 -0.00 0.00 0.00 178.83 179.94 1u89 s ALA 756 N -3.38 -4.62 0.50 0.06 0.00 -1.26 -4.08 121.76 108.98 1u89 s ALA 756 Ca 0.00 1.43 -0.22 0.00 0.00 0.00 0.00 51.96 53.17 1u89 s ALA 756 Cb 0.11 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 20.17 1u89 s ALA 756 CO 0.74 -2.40 1.26 0.00 0.00 0.00 0.00 175.76 175.36 1u89 s ALA 757 N 2.34 2.89 -1.25 0.00 0.00 -1.26 -3.41 121.76 121.07 1u89 s ALA 757 Ca 0.20 1.13 -0.06 0.00 0.00 0.00 0.00 51.96 53.23 1u89 s ALA 757 Cb 0.03 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 1u89 s ALA 757 CO -0.18 -1.01 0.71 2.41 0.00 0.00 0.00 175.76 177.69 1u89 n THR 758 N -0.77 -5.18 -3.56 0.00 -1.04 -1.26 -4.96 114.28 97.52 1u89 n THR 758 Ca 0.09 -0.71 -0.41 0.00 -2.04 0.00 0.00 64.05 60.98 1u89 n THR 758 Cb 0.47 -4.09 -0.09 0.00 -1.82 0.00 0.00 70.33 64.80 1u89 n THR 758 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1u89 s GLU 759 N -5.88 2.58 -0.21 -2.82 -6.30 -1.22 -4.92 118.70 99.93 1u89 s GLU 759 Ca 0.17 -1.59 0.15 0.00 -2.50 0.00 0.00 54.97 51.20 1u89 s GLU 759 Cb -0.05 -3.88 0.59 0.00 0.00 0.00 0.00 34.13 30.79 1u89 s GLU 759 CO 0.83 -1.07 1.50 -0.25 0.02 0.00 0.00 175.26 176.29 1u89 n ASP 760 N 4.94 4.10 0.00 -1.70 8.00 -1.26 -0.25 116.55 130.39 1u89 n ASP 760 Ca -0.09 -3.09 0.00 0.00 0.71 0.00 0.00 54.79 52.32 1u89 n ASP 760 Cb 0.42 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1u89 n ASP 760 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u89 n GLY 761 N -0.38 1.23 2.54 0.44 0.00 -1.26 -4.48 105.19 103.28 1u89 n GLY 761 Ca 0.25 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 1u89 n GLY 761 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u89 n GLN 762 N -0.18 4.35 0.24 1.61 6.02 -1.26 -4.76 117.38 123.39 1u89 n GLN 762 Ca 0.00 -3.38 -0.09 0.00 -0.01 0.00 0.00 57.00 53.51 1u89 n GLN 762 Cb 0.00 -2.70 -0.04 0.00 1.02 0.00 0.00 30.24 28.51 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1u89 h LEU 763 N 6.13 -0.52 -0.04 1.08 -0.00 -1.95 0.17 115.31 120.19 1u89 h LEU 763 Ca 0.66 0.02 -0.02 0.00 -0.00 0.00 0.00 57.88 58.53 1u89 h LEU 763 Cb 0.36 0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 41.15 1u89 h LEU 763 CO 1.53 -0.34 -0.12 -0.07 -0.00 0.00 0.00 178.44 179.44 1u89 h LEU 764 N -0.66 0.00 -0.06 1.67 4.07 -1.94 0.96 115.31 119.35 1u89 h LEU 764 Ca -0.06 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.85 1u89 h LEU 764 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1u89 h LEU 764 CO 0.10 0.12 -0.16 0.03 -1.08 0.00 0.00 178.44 177.45 1u89 h ARG 765 N 0.00 0.21 0.00 1.13 2.47 -1.91 -2.74 114.38 113.53 1u89 h ARG 765 Ca -0.00 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.57 1u89 h ARG 765 Cb 1.08 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1u89 h ARG 765 CO 0.02 0.77 -0.36 0.78 0.56 0.00 0.00 179.97 181.73 1u89 h GLY 766 N -0.31 0.00 0.88 0.04 0.00 -0.66 -3.31 103.07 99.71 1u89 h GLY 766 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1u89 h GLY 766 CO 0.03 0.00 0.00 -2.08 0.00 0.00 0.00 176.54 174.50 1u89 h VAL 767 N -0.94 1.26 -0.15 4.60 2.07 -0.89 -1.77 116.25 120.42 1u89 h VAL 767 Ca 0.00 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.64 1u89 h VAL 767 Cb 0.36 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1u89 h VAL 767 CO 0.00 0.30 -0.17 1.23 0.02 0.00 0.00 177.57 178.95 1u89 h GLY 768 N 0.31 -0.10 0.97 2.17 0.00 -1.14 0.49 103.07 105.78 1u89 h GLY 768 Ca 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.60 1u89 h GLY 768 CO 0.01 -0.16 0.23 0.00 0.00 0.00 0.00 176.54 176.62 1u89 h ALA 769 N 0.85 0.64 -0.34 3.60 0.00 -1.52 -0.86 119.26 121.63 1u89 h ALA 769 Ca 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 769 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1u89 h ALA 769 CO -0.27 0.21 0.08 0.00 0.00 0.00 0.00 179.25 179.28 1u89 h ALA 770 N 1.07 0.45 -0.75 0.00 0.00 -0.83 0.01 119.26 119.21 1u89 h ALA 770 Ca 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1u89 h ALA 770 Cb 0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1u89 h ALA 770 CO -0.02 0.12 0.34 0.00 0.00 0.00 0.00 179.25 179.69 1u89 h ALA 771 N 0.92 0.97 -0.50 0.00 0.00 0.09 -1.87 119.26 118.87 1u89 h ALA 771 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 771 Cb 0.30 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1u89 h ALA 771 CO 0.00 0.56 0.22 1.15 0.00 0.00 0.00 179.25 181.18 1u89 h THR 772 N 1.06 1.20 -0.45 0.00 2.02 -0.93 -2.03 112.91 113.79 1u89 h THR 772 Ca 0.25 -0.60 0.05 0.00 0.77 0.00 0.00 66.41 66.89 1u89 h THR 772 Cb 0.16 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.18 1u89 h THR 772 CO -0.03 0.23 0.17 0.00 0.37 0.00 0.00 175.52 176.26 1u89 h ALA 773 N 1.07 0.54 0.03 6.16 0.00 -0.50 0.27 119.26 126.82 1u89 h ALA 773 Ca 0.17 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 1u89 h ALA 773 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1u89 h ALA 773 CO -0.02 -0.22 -0.01 0.28 0.00 0.00 0.00 179.25 179.28 1u89 h VAL 774 N 0.34 1.08 -0.97 0.00 2.07 -1.23 0.26 116.25 117.80 1u89 h VAL 774 Ca 0.21 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.44 1u89 h VAL 774 Cb 0.19 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 1u89 h VAL 774 CO -0.20 0.08 0.64 0.74 0.02 0.00 0.00 177.57 178.85 1u89 h THR 775 N -0.17 1.20 -0.25 2.57 2.02 -0.97 0.20 112.91 117.50 1u89 h THR 775 Ca -0.00 -0.43 -0.19 0.00 0.77 0.00 0.00 66.41 66.55 1u89 h THR 775 Cb 0.16 -0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.39 1u89 h THR 775 CO 0.01 0.23 -0.60 1.56 0.37 0.00 0.00 175.52 177.09 1u89 h GLN 776 N 1.26 0.82 -0.51 6.66 1.08 -0.29 0.14 115.11 124.28 1u89 h GLN 776 Ca 0.38 -0.55 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 1u89 h GLN 776 Cb -0.06 0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.43 1u89 h GLN 776 CO -0.11 1.17 0.17 0.00 -0.95 0.00 0.00 178.83 179.12 1u89 h ALA 777 N 0.70 0.66 -0.45 3.87 0.00 0.01 0.74 119.26 124.78 1u89 h ALA 777 Ca -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1u89 h ALA 777 Cb 1.20 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1u89 h ALA 777 CO 0.13 0.30 0.25 1.25 0.00 0.00 0.00 179.25 181.18 1u89 h LEU 778 N 0.68 0.57 -0.67 0.00 5.85 -0.55 -0.82 115.31 120.37 1u89 h LEU 778 Ca 0.16 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1u89 h LEU 778 Cb 0.25 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 1u89 h LEU 778 CO -0.01 0.49 0.39 0.78 -0.34 0.00 0.00 178.44 179.76 1u89 h ASN 779 N 0.60 0.60 0.35 1.25 2.35 -0.65 0.16 115.58 120.24 1u89 h ASN 779 Ca 0.16 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1u89 h ASN 779 Cb 0.05 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1u89 h ASN 779 CO -0.03 0.40 -0.22 -0.08 -1.65 0.00 0.00 177.43 175.86 1u89 h GLU 780 N 0.74 -0.53 -0.62 0.81 4.57 -0.44 -1.87 114.58 117.25 1u89 h GLU 780 Ca 0.29 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.50 1u89 h GLU 780 Cb 0.13 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.81 1u89 h GLU 780 CO -0.15 -0.35 0.38 1.25 -1.18 0.00 0.00 179.01 178.95 1u89 h LEU 781 N -0.55 0.74 -0.39 1.64 5.85 -0.84 -1.46 115.31 120.30 1u89 h LEU 781 Ca -0.04 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1u89 h LEU 781 Cb 0.45 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1u89 h LEU 781 CO 0.03 0.57 0.20 -0.07 -0.34 0.00 0.00 178.44 178.83 1u89 h LEU 782 N 0.83 0.29 -1.27 2.25 3.38 -0.54 0.44 115.31 120.69 1u89 h LEU 782 Ca 0.22 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1u89 h LEU 782 Cb -0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1u89 h LEU 782 CO -0.04 0.21 -0.19 1.56 0.09 0.00 0.00 178.44 180.06 1u89 h GLN 783 N 0.40 0.25 -0.01 1.13 4.20 -1.09 -1.67 115.11 118.33 1u89 h GLN 783 Ca 0.17 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 1u89 h GLN 783 Cb 0.07 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 27.83 1u89 h GLN 783 CO -0.12 0.45 -0.34 1.25 -0.67 0.00 0.00 178.83 179.41 1u89 h HIS 784 N 0.24 0.36 -0.04 2.96 2.76 -0.15 -3.20 115.15 118.06 1u89 h HIS 784 Ca 0.04 -0.19 -0.12 0.00 -2.20 0.00 0.00 60.37 57.91 1u89 h HIS 784 Cb 0.49 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 1u89 h HIS 784 CO 0.01 0.98 -0.53 0.28 -1.30 0.00 0.00 177.93 177.38 1u89 h VAL 785 N -0.37 1.37 -0.06 5.26 2.07 -0.11 0.28 116.25 124.68 1u89 h VAL 785 Ca -0.04 -1.80 -0.04 0.00 0.82 0.00 0.00 66.70 65.63 1u89 h VAL 785 Cb 1.07 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1u89 h VAL 785 CO 0.07 0.53 -0.16 0.11 0.02 0.00 0.00 177.57 178.14 1u89 h LYS 786 N 0.10 0.09 0.00 1.57 1.57 -1.39 -2.72 116.57 115.80 1u89 h LYS 786 Ca -0.00 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.59 1u89 h LYS 786 Cb 0.96 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 1u89 h LYS 786 CO 0.07 0.26 -1.80 0.00 -0.57 0.00 0.00 179.45 177.41 1u89 n ALA 787 N -2.50 2.09 -3.64 3.86 0.00 -0.98 -4.55 120.51 114.79 1u89 n ALA 787 Ca -0.02 -0.73 -0.25 0.00 0.00 0.00 0.00 53.44 52.45 1u89 n ALA 787 Cb 0.25 -0.71 -0.17 0.00 0.00 0.00 0.00 19.45 18.82 1u89 n ALA 787 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1u89 s HIS 788 N -3.00 0.22 0.29 0.00 3.76 0.95 -4.76 115.29 112.75 1u89 s HIS 788 Ca -0.06 -0.20 0.06 0.00 -0.15 0.00 0.00 55.06 54.71 1u89 s HIS 788 Cb 0.09 -0.66 -0.02 0.00 1.11 0.00 0.00 32.58 33.10 1u89 s HIS 788 CO 0.84 -0.43 0.21 0.00 -0.85 0.00 0.00 174.74 174.51 1u89 n ALA 789 N 5.27 0.58 -2.39 -1.40 0.00 -1.17 -3.87 120.51 117.53 1u89 n ALA 789 Ca -0.06 -1.65 -0.43 0.00 0.00 0.00 0.00 53.44 51.30 1u89 n ALA 789 Cb 0.49 1.29 -0.02 0.00 0.00 0.00 0.00 19.45 21.21 1u89 n ALA 789 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1u89 s THR 790 N -3.08 4.08 0.00 0.00 -4.23 -1.26 -3.38 115.64 107.77 1u89 s THR 790 Ca 0.30 1.21 0.00 0.00 -1.18 0.00 0.00 61.69 62.02 1u89 s THR 790 Cb 0.01 -4.12 0.00 0.00 1.34 0.00 0.00 72.50 69.74 1u89 s THR 790 CO 0.21 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.42 1u89 n GLY 791 N 4.41 0.55 5.00 3.99 0.00 -1.26 -4.56 105.19 113.32 1u89 n GLY 791 Ca 0.15 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1u89 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 n ALA 792 N -0.11 0.00 0.00 4.61 0.00 -1.22 -3.89 120.51 119.90 1u89 n ALA 792 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u89 n ALA 792 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1u89 n ALA 792 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u89 n GLY 793 N 0.00 -1.87 0.00 0.00 0.00 -1.26 -3.07 105.19 99.00 1u89 n GLY 793 Ca 0.00 0.84 0.09 0.00 0.00 0.00 0.00 46.02 46.95 1u89 n GLY 793 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1u89 n PRO 794 N 0.00 0.22 0.00 1.61 -0.02 -1.25 -4.84 135.00 130.71 1u89 n PRO 794 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1u89 n PRO 794 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u89 n ALA 795 N -1.32 0.00 -2.25 3.55 0.00 -1.26 -4.85 120.51 114.38 1u89 n ALA 795 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.09 1u89 n ALA 795 Cb 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.58 1u89 n ALA 795 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1u89 s GLY 796 N 0.00 1.48 0.00 0.00 0.00 -1.26 -4.57 107.32 102.96 1u89 s GLY 796 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.24 1u89 s GLY 796 CO 0.00 2.76 0.00 -2.13 0.00 0.00 0.00 173.10 173.73 1u89 n ARG 797 N 7.09 0.00 -1.78 2.90 3.00 -1.26 -4.92 116.66 121.69 1u89 n ARG 797 Ca 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 57.85 57.99 1u89 n ARG 797 Cb 0.45 -0.01 0.07 0.00 0.00 0.00 0.00 32.46 32.97 1u89 n ARG 797 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 1u89 n TYR 798 N -2.30 0.86 0.23 -0.14 4.01 -1.26 -4.86 117.16 113.71 1u89 n TYR 798 Ca 0.00 -1.49 0.12 0.00 -0.16 0.00 0.00 57.90 56.37 1u89 n TYR 798 Cb 0.00 -0.23 0.41 0.00 -0.31 0.00 0.00 39.34 39.21 1u89 n TYR 798 CO 0.00 0.00 0.00 0.22 -0.46 0.00 0.00 176.86 176.62 1u89 h ASP 799 N 1.67 0.00 0.05 7.72 3.58 -1.91 -2.16 116.42 125.37 1u89 h ASP 799 Ca -0.04 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.17 1u89 h ASP 799 Cb 1.46 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.54 1u89 h ASP 799 CO 0.22 0.12 -0.94 1.56 -2.88 0.00 0.00 179.24 177.33 1u89 h GLN 800 N 0.00 0.55 -0.26 0.28 4.20 -2.00 -3.01 115.11 114.87 1u89 h GLN 800 Ca -0.00 -0.66 -0.02 0.00 0.06 0.00 0.00 58.65 58.03 1u89 h GLN 800 Cb 0.81 0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 1u89 h GLN 800 CO 0.02 1.27 0.08 0.00 -0.67 0.00 0.00 178.83 179.52 1u89 h ALA 801 N 0.30 0.34 -0.39 3.87 0.00 -1.87 -1.97 119.26 119.53 1u89 h ALA 801 Ca -0.13 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.65 1u89 h ALA 801 Cb 1.64 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1u89 h ALA 801 CO 0.18 -0.04 0.23 1.79 0.00 0.00 0.00 179.25 181.41 1u89 h THR 802 N 0.25 1.04 -0.56 0.00 1.35 -1.51 0.05 112.91 113.54 1u89 h THR 802 Ca 0.08 -0.16 0.01 0.00 -0.55 0.00 0.00 66.41 65.79 1u89 h THR 802 Cb 0.23 0.53 -0.03 0.00 -1.73 0.00 0.00 68.15 67.15 1u89 h THR 802 CO -0.00 0.09 0.36 -0.78 -0.25 0.00 0.00 175.52 174.93 1u89 h ASP 803 N 0.47 0.60 -0.22 5.36 1.82 -1.46 -2.03 116.42 120.96 1u89 h ASP 803 Ca 0.16 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.77 1u89 h ASP 803 Cb 0.00 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.86 1u89 h ASP 803 CO -0.07 0.43 0.08 0.74 -1.61 0.00 0.00 179.24 178.81 1u89 h THR 804 N 0.72 1.18 0.21 2.25 2.02 -0.79 -1.29 112.91 117.22 1u89 h THR 804 Ca 0.21 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.82 1u89 h THR 804 Cb -0.05 1.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1u89 h THR 804 CO -0.06 0.19 -0.22 0.40 0.37 0.00 0.00 175.52 176.19 1u89 h ILE 805 N 0.20 0.52 -0.41 3.11 2.04 -0.82 0.85 117.51 122.99 1u89 h ILE 805 Ca 0.07 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.99 1u89 h ILE 805 Cb 0.22 0.52 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1u89 h ILE 805 CO -0.00 0.00 0.10 0.25 0.00 0.00 0.00 178.15 178.50 1u89 h LEU 806 N -0.47 0.05 -0.59 1.44 6.46 -1.34 0.10 115.31 120.96 1u89 h LEU 806 Ca 0.00 0.06 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1u89 h LEU 806 Cb 0.44 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.41 1u89 h LEU 806 CO -0.06 0.06 0.34 0.74 -0.62 0.00 0.00 178.44 178.91 1u89 h THR 807 N 0.24 1.03 -0.10 1.05 2.02 -0.87 0.11 112.91 116.39 1u89 h THR 807 Ca 0.20 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 1u89 h THR 807 Cb 0.23 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1u89 h THR 807 CO -0.24 0.12 0.02 0.58 0.37 0.00 0.00 175.52 176.36 1u89 h VAL 808 N 0.67 1.21 -0.80 3.16 2.07 -0.09 -0.80 116.25 121.68 1u89 h VAL 808 Ca 0.25 -0.67 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1u89 h VAL 808 Cb 0.07 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1u89 h VAL 808 CO -0.12 0.19 0.32 0.74 0.02 0.00 0.00 177.57 178.71 1u89 h THR 809 N -0.07 1.26 -0.30 2.57 2.02 -0.59 -1.60 112.91 116.20 1u89 h THR 809 Ca 0.03 -0.83 -0.04 0.00 0.77 0.00 0.00 66.41 66.34 1u89 h THR 809 Cb 0.28 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1u89 h THR 809 CO 0.00 0.34 0.01 -0.08 0.37 0.00 0.00 175.52 176.16 1u89 h GLU 810 N 1.16 0.46 -0.90 6.66 4.81 -0.68 -1.94 114.58 124.15 1u89 h GLU 810 Ca 0.27 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1u89 h GLU 810 Cb 0.22 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1u89 h GLU 810 CO -0.02 0.48 0.49 -0.91 -0.73 0.00 0.00 179.01 178.32 1u89 h ASN 811 N 0.44 1.13 -0.08 1.04 2.35 -0.18 -1.38 115.58 118.90 1u89 h ASN 811 Ca 0.10 -0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1u89 h ASN 811 Cb 0.28 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1u89 h ASN 811 CO 0.01 0.90 -0.14 0.40 -1.65 0.00 0.00 177.43 176.95 1u89 h ILE 812 N 1.26 1.22 -0.19 2.81 2.04 -0.82 0.22 117.51 124.06 1u89 h ILE 812 Ca 0.32 -1.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 1u89 h ILE 812 Cb 0.03 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1u89 h ILE 812 CO -0.05 0.32 0.04 -0.26 0.00 0.00 0.00 178.15 178.20 1u89 h PHE 813 N 0.39 0.32 -0.55 1.37 0.04 -0.87 -0.05 116.94 117.60 1u89 h PHE 813 Ca 0.07 -0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 1u89 h PHE 813 Cb 0.49 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.52 1u89 h PHE 813 CO 0.01 0.44 0.08 0.77 -0.60 0.00 0.00 178.31 179.01 1u89 h SER 814 N 0.11 0.82 -0.69 2.17 0.02 -0.93 -3.09 113.55 111.96 1u89 h SER 814 Ca 0.06 -0.17 -0.44 0.00 -0.84 0.00 0.00 61.79 60.40 1u89 h SER 814 Cb 0.28 -0.22 -0.25 0.00 0.14 0.00 0.00 62.40 62.35 1u89 h SER 814 CO 0.00 0.84 0.09 -1.20 -1.14 0.00 0.00 176.83 175.42 1u89 n SER 815 N -4.24 4.49 -4.55 3.07 7.64 0.03 -4.95 113.62 115.11 1u89 n SER 815 Ca 0.04 -3.76 -0.35 0.00 1.01 0.00 0.00 58.87 55.81 1u89 n SER 815 Cb 0.26 -0.68 -0.04 0.00 -1.01 0.00 0.00 64.21 62.74 1u89 n SER 815 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1u89 s MET 816 N -3.48 2.49 0.00 1.43 0.00 -0.04 -0.65 119.30 119.04 1u89 s MET 816 Ca 0.53 0.55 0.00 0.00 0.00 0.00 0.00 55.69 56.77 1u89 s MET 816 Cb 0.44 -4.56 0.00 0.00 0.00 0.00 0.00 34.83 30.71 1u89 s MET 816 CO 0.02 -3.01 0.00 0.41 0.00 0.00 0.00 175.02 172.44 1u89 n GLY 817 N 6.01 1.27 3.47 2.11 0.00 -1.26 -5.05 105.19 111.73 1u89 n GLY 817 Ca 0.28 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.86 1u89 n GLY 817 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u89 s ASP 818 N -0.37 6.90 0.15 1.61 -1.08 0.17 -4.45 116.67 119.61 1u89 s ASP 818 Ca 0.00 -2.63 -0.28 0.00 -0.52 0.00 0.00 52.55 49.12 1u89 s ASP 818 Cb 0.00 -2.41 -0.02 0.00 -1.46 0.00 0.00 42.92 39.03 1u89 s ASP 818 CO 0.00 -0.89 1.56 0.00 0.52 0.00 0.00 175.17 176.36 1u89 h ALA 819 N 7.78 -0.50 -0.35 3.66 0.00 -1.89 0.20 119.26 128.17 1u89 h ALA 819 Ca 0.27 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.30 1u89 h ALA 819 Cb 0.93 1.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 1u89 h ALA 819 CO 1.21 -0.91 0.07 0.78 0.00 0.00 0.00 179.25 180.40 1u89 h GLY 820 N -0.28 0.40 1.08 0.00 0.00 -1.95 0.14 103.07 102.46 1u89 h GLY 820 Ca 0.14 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 1u89 h GLY 820 CO -0.66 -0.02 -0.22 -2.09 0.00 0.00 0.00 176.54 173.55 1u89 h GLU 821 N 0.19 0.94 -0.07 4.80 4.57 -1.82 0.10 114.58 123.29 1u89 h GLU 821 Ca 0.16 -0.41 0.02 0.00 -1.18 0.00 0.00 59.36 57.95 1u89 h GLU 821 Cb 0.19 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 1u89 h GLU 821 CO -0.22 1.08 -0.04 0.52 -1.18 0.00 0.00 179.01 179.17 1u89 h MET 822 N 0.78 -0.04 -0.52 1.92 2.86 0.20 0.38 114.93 120.53 1u89 h MET 822 Ca 0.10 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 1u89 h MET 822 Cb 0.80 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 1u89 h MET 822 CO 0.07 -0.03 -0.14 0.28 1.06 0.00 0.00 176.91 178.15 1u89 h VAL 823 N -0.04 1.27 0.19 -2.22 2.07 -0.74 -0.99 116.25 115.79 1u89 h VAL 823 Ca 0.04 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1u89 h VAL 823 Cb 0.10 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1u89 h VAL 823 CO -0.10 0.45 -0.28 -0.09 0.02 0.00 0.00 177.57 177.57 1u89 h ARG 824 N 0.87 -0.52 -0.82 1.57 2.43 -0.19 -1.35 114.38 116.37 1u89 h ARG 824 Ca 0.13 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1u89 h ARG 824 Cb 0.70 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.33 1u89 h ARG 824 CO 0.05 -0.35 0.44 1.96 -1.51 0.00 0.00 179.97 180.56 1u89 h GLN 825 N -0.54 1.15 -0.77 0.20 1.08 -0.22 -2.44 115.11 113.56 1u89 h GLN 825 Ca 0.01 -0.14 0.09 0.00 -1.45 0.00 0.00 58.65 57.17 1u89 h GLN 825 Cb 0.54 -0.22 -0.07 0.00 -0.05 0.00 0.00 27.48 27.67 1u89 h GLN 825 CO -0.12 0.85 0.43 0.00 -0.95 0.00 0.00 178.83 179.04 1u89 h ALA 826 N 1.33 1.09 -0.67 3.87 0.00 -0.66 0.45 119.26 124.66 1u89 h ALA 826 Ca 0.29 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1u89 h ALA 826 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1u89 h ALA 826 CO -0.05 0.05 0.32 0.00 0.00 0.00 0.00 179.25 179.57 1u89 h ARG 827 N 0.72 0.96 -0.56 0.00 3.08 -0.79 -0.43 114.38 117.37 1u89 h ARG 827 Ca 0.37 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 60.18 1u89 h ARG 827 Cb 0.35 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1u89 h ARG 827 CO -0.25 0.77 -0.06 0.82 -1.07 0.00 0.00 179.97 180.18 1u89 h ILE 828 N 0.93 1.27 -0.24 2.04 2.04 -0.94 -2.03 117.51 120.57 1u89 h ILE 828 Ca 0.23 -1.21 0.03 0.00 1.00 0.00 0.00 64.86 64.91 1u89 h ILE 828 Cb 0.12 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1u89 h ILE 828 CO -0.03 0.43 0.06 0.25 0.00 0.00 0.00 178.15 178.86 1u89 h LEU 829 N 0.92 0.04 -0.46 1.44 5.85 0.22 0.30 115.31 123.62 1u89 h LEU 829 Ca 0.15 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.96 1u89 h LEU 829 Cb 0.62 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.64 1u89 h LEU 829 CO 0.04 0.05 0.18 0.00 -0.34 0.00 0.00 178.44 178.38 1u89 h ALA 830 N 1.17 0.56 -0.58 1.25 0.00 -0.90 0.60 119.26 121.36 1u89 h ALA 830 Ca 0.11 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1u89 h ALA 830 Cb 0.10 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1u89 h ALA 830 CO -0.13 -0.20 -0.05 0.37 0.00 0.00 0.00 179.25 179.24 1u89 h GLN 831 N 0.37 1.05 -0.00 0.00 4.15 -0.93 -1.49 115.11 118.26 1u89 h GLN 831 Ca 0.21 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.27 1u89 h GLN 831 Cb 0.19 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1u89 h GLN 831 CO -0.20 1.06 0.00 0.00 -1.93 0.00 0.00 178.83 177.76 1u89 h ALA 832 N 0.96 0.01 -0.07 3.38 0.00 0.19 -2.44 119.26 121.29 1u89 h ALA 832 Ca 0.16 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 832 Cb 0.62 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1u89 h ALA 832 CO 0.04 -0.36 -0.17 1.15 0.00 0.00 0.00 179.25 179.91 1u89 h THR 833 N -0.25 1.16 -0.59 0.00 2.02 -0.89 -0.60 112.91 113.75 1u89 h THR 833 Ca 0.00 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.47 1u89 h THR 833 Cb 0.26 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1u89 h THR 833 CO 0.00 0.22 0.37 0.28 0.37 0.00 0.00 175.52 176.76 1u89 h SER 834 N 0.10 0.61 -0.37 4.18 0.02 -1.01 0.21 113.55 117.29 1u89 h SER 834 Ca 0.02 -0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.81 1u89 h SER 834 Cb 0.36 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1u89 h SER 834 CO 0.02 0.43 -0.39 -0.78 -1.14 0.00 0.00 176.83 174.97 1u89 h ASP 835 N 0.73 0.99 0.17 3.07 3.58 -0.89 -0.65 116.42 123.41 1u89 h ASP 835 Ca 0.23 -0.47 -0.01 0.00 0.42 0.00 0.00 57.03 57.20 1u89 h ASP 835 Cb -0.00 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.77 1u89 h ASP 835 CO -0.09 1.26 -0.08 0.25 -2.88 0.00 0.00 179.24 177.70 1u89 h LEU 836 N 0.74 -0.19 -0.47 2.28 5.85 -0.71 -0.08 115.31 122.73 1u89 h LEU 836 Ca 0.06 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 1u89 h LEU 836 Cb 0.99 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 1u89 h LEU 836 CO 0.10 -0.07 -0.05 0.58 -0.34 0.00 0.00 178.44 178.66 1u89 h VAL 837 N -0.30 1.27 -0.67 1.05 2.07 -0.62 -2.04 116.25 117.01 1u89 h VAL 837 Ca -0.02 -1.15 0.01 0.00 0.82 0.00 0.00 66.70 66.36 1u89 h VAL 837 Cb 0.23 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1u89 h VAL 837 CO 0.04 0.40 0.44 -1.13 0.02 0.00 0.00 177.57 177.33 1u89 h ASN 838 N 0.71 0.75 -0.15 0.57 -0.73 -1.04 0.71 115.58 116.41 1u89 h ASN 838 Ca 0.13 -0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.28 1u89 h ASN 838 Cb 0.58 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.98 1u89 h ASN 838 CO 0.03 0.54 0.08 0.00 -0.37 0.00 0.00 177.43 177.72 1u89 h ALA 839 N 1.25 0.19 -0.15 1.57 0.00 -0.79 -1.75 119.26 119.58 1u89 h ALA 839 Ca 0.25 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1u89 h ALA 839 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1u89 h ALA 839 CO -0.06 -0.27 0.07 0.82 0.00 0.00 0.00 179.25 179.81 1u89 h ILE 840 N 0.13 1.13 -0.73 0.00 2.04 -1.05 0.43 117.51 119.45 1u89 h ILE 840 Ca 0.05 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1u89 h ILE 840 Cb 0.08 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1u89 h ILE 840 CO -0.01 0.12 0.48 0.50 0.00 0.00 0.00 178.15 179.25 1u89 h LYS 841 N 0.10 0.90 0.02 2.37 3.11 -0.79 0.31 116.57 122.59 1u89 h LYS 841 Ca 0.05 -0.05 -0.27 0.00 -2.81 0.00 0.00 60.65 57.57 1u89 h LYS 841 Cb 0.13 -0.20 0.02 0.00 -1.00 0.00 0.00 32.23 31.18 1u89 h LYS 841 CO -0.01 0.59 -1.07 0.00 -2.81 0.00 0.00 179.45 176.16 1u89 h ALA 842 N 1.56 0.14 -0.04 5.00 0.00 -1.11 -3.22 119.26 121.60 1u89 h ALA 842 Ca 0.29 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1u89 h ALA 842 Cb 0.00 0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.85 1u89 h ALA 842 CO -0.08 0.71 -0.31 0.22 0.00 0.00 0.00 179.25 179.80 1u89 h ASP 843 N 0.34 0.34 0.41 0.00 1.82 -0.24 -3.17 116.42 115.92 1u89 h ASP 843 Ca -0.13 -0.69 -0.00 0.00 -0.39 0.00 0.00 57.03 55.81 1u89 h ASP 843 Cb 1.72 -0.10 -0.00 0.00 0.68 0.00 0.00 39.33 41.63 1u89 h ASP 843 CO 0.20 0.98 -0.02 0.00 -1.61 0.00 0.00 179.24 178.79 1u89 h ALA 844 N 0.37 1.07 0.00 -0.78 0.00 -0.57 -0.80 119.26 118.55 1u89 h ALA 844 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 844 Cb 1.00 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1u89 h ALA 844 CO 0.06 0.03 -0.04 1.49 0.00 0.00 0.00 179.25 180.79 1u89 h GLU 845 N 0.00 0.00 -0.33 0.00 4.57 -1.55 -2.00 114.58 115.27 1u89 h GLU 845 Ca -0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 1u89 h GLU 845 Cb 0.23 0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 28.73 1u89 h GLU 845 CO 0.00 0.04 -0.09 0.41 -1.18 0.00 0.00 179.01 178.19 1u89 n GLY 846 N -0.85 4.86 3.84 1.92 0.00 -0.31 -5.02 105.19 109.63 1u89 n GLY 846 Ca -0.02 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 1u89 n GLY 846 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u89 s GLU 847 N -3.22 4.10 0.23 1.61 -6.30 -0.75 -4.98 118.70 109.39 1u89 s GLU 847 Ca 0.44 0.82 0.10 0.00 -2.50 0.00 0.00 54.97 53.83 1u89 s GLU 847 Cb 0.40 -2.44 0.15 0.00 0.00 0.00 0.00 34.13 32.25 1u89 s GLU 847 CO 0.00 0.14 1.49 0.66 0.02 0.00 0.00 175.26 177.57 1u89 h SER 848 N 2.33 0.00 -3.43 -1.70 4.64 -1.95 -3.43 113.55 110.01 1u89 h SER 848 Ca -0.48 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.20 1u89 h SER 848 Cb 1.18 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.05 1u89 h SER 848 CO 0.64 0.73 -0.64 -0.62 -0.87 0.00 0.00 176.83 176.06 1u89 s ASP 849 N -6.72 4.97 0.17 4.97 2.15 -1.26 -4.99 116.67 115.96 1u89 s ASP 849 Ca 0.00 -0.16 0.09 0.00 0.43 0.00 0.00 52.55 52.91 1u89 s ASP 849 Cb 0.11 -1.85 -0.06 0.00 -0.30 0.00 0.00 42.92 40.82 1u89 s ASP 849 CO 0.77 0.07 1.36 -0.07 -0.17 0.00 0.00 175.17 177.14 1u89 h LEU 850 N 7.41 0.00 -0.08 -1.34 -0.00 -1.96 -2.50 115.31 116.84 1u89 h LEU 850 Ca -0.36 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.49 1u89 h LEU 850 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1u89 h LEU 850 CO 0.62 0.86 -0.07 -0.08 -0.00 0.00 0.00 178.44 179.77 1u89 h GLU 851 N 0.00 0.19 -0.94 1.13 4.57 -1.99 0.33 114.58 117.87 1u89 h GLU 851 Ca -0.01 -0.10 0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1u89 h GLU 851 Cb 1.59 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.14 1u89 h GLU 851 CO 0.11 0.62 0.61 -0.97 -1.18 0.00 0.00 179.01 178.20 1u89 h ASN 852 N -0.23 1.09 -0.37 1.04 -1.24 -2.00 -1.63 115.58 112.24 1u89 h ASN 852 Ca 0.01 -0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.02 1u89 h ASN 852 Cb 0.58 -0.27 -0.03 0.00 0.73 0.00 0.00 38.32 39.32 1u89 h ASN 852 CO 0.02 0.80 0.17 -1.28 -1.29 0.00 0.00 177.43 175.85 1u89 h SER 853 N 1.28 0.24 -0.74 1.15 0.87 -1.27 -0.04 113.55 115.04 1u89 h SER 853 Ca 0.34 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.99 1u89 h SER 853 Cb -0.13 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 61.75 1u89 h SER 853 CO -0.07 0.18 0.43 0.03 -0.53 0.00 0.00 176.83 176.87 1u89 h ARG 854 N 0.35 0.77 -0.47 2.24 3.08 -0.12 0.11 114.38 120.35 1u89 h ARG 854 Ca 0.16 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1u89 h ARG 854 Cb 0.08 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1u89 h ARG 854 CO -0.12 0.51 0.30 0.87 -1.07 0.00 0.00 179.97 180.46 1u89 h LYS 855 N 0.79 0.62 -0.03 0.04 1.79 -0.85 -0.76 116.57 118.18 1u89 h LYS 855 Ca 0.33 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.76 1u89 h LYS 855 Cb 0.19 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.70 1u89 h LYS 855 CO -0.18 0.42 0.01 -0.07 -1.08 0.00 0.00 179.45 178.55 1u89 h LEU 856 N 0.63 0.02 -0.43 2.94 3.38 0.50 -1.34 115.31 121.01 1u89 h LEU 856 Ca 0.17 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.99 1u89 h LEU 856 Cb -0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1u89 h LEU 856 CO -0.04 0.02 -0.73 -0.07 0.09 0.00 0.00 178.44 177.71 1u89 h LEU 857 N 0.03 0.00 -0.52 1.67 3.38 -0.80 -2.10 115.31 116.96 1u89 h LEU 857 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.85 1u89 h LEU 857 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1u89 h LEU 857 CO -0.00 0.73 -0.22 0.28 0.09 0.00 0.00 178.44 179.32 1u89 h SER 858 N 0.00 0.99 -0.63 -0.43 0.02 -0.95 -0.88 113.55 111.67 1u89 h SER 858 Ca -0.01 -0.37 -0.09 0.00 -0.84 0.00 0.00 61.79 60.48 1u89 h SER 858 Cb 1.36 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 1u89 h SER 858 CO 0.10 1.16 0.06 0.00 -1.14 0.00 0.00 176.83 177.00 1u89 h ALA 859 N 0.91 0.89 0.00 3.77 0.00 -1.10 -2.32 119.26 121.40 1u89 h ALA 859 Ca 0.11 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1u89 h ALA 859 Cb 0.79 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1u89 h ALA 859 CO 0.07 0.67 -0.26 0.00 0.00 0.00 0.00 179.25 179.73 1u89 h ALA 860 N 1.05 1.47 -0.33 0.00 0.00 -1.18 -1.44 119.26 118.83 1u89 h ALA 860 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 860 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1u89 h ALA 860 CO 0.02 0.32 0.08 -0.22 0.00 0.00 0.00 179.25 179.46 1u89 h LYS 861 N 0.00 0.52 -0.54 0.00 3.64 -0.62 -1.33 116.57 118.24 1u89 h LYS 861 Ca -0.00 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 1u89 h LYS 861 Cb 0.49 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 1u89 h LYS 861 CO 0.03 0.58 0.31 0.82 -2.27 0.00 0.00 179.45 178.92 1u89 h ILE 862 N 0.37 1.17 -0.27 2.00 2.04 -1.09 -1.92 117.51 119.81 1u89 h ILE 862 Ca 0.10 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.61 1u89 h ILE 862 Cb 0.29 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.78 1u89 h ILE 862 CO 0.00 0.18 -0.18 -0.07 0.00 0.00 0.00 178.15 178.08 1u89 h LEU 863 N 0.72 -0.61 -0.09 1.44 -0.00 -1.03 0.52 115.31 116.26 1u89 h LEU 863 Ca 0.19 0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 58.19 1u89 h LEU 863 Cb 0.02 0.31 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1u89 h LEU 863 CO -0.03 -0.22 0.03 0.00 -0.00 0.00 0.00 178.44 178.21 1u89 h ALA 864 N 0.99 0.12 -0.34 1.53 0.00 -1.02 -1.94 119.26 118.60 1u89 h ALA 864 Ca 0.15 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 864 Cb 0.39 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1u89 h ALA 864 CO -0.37 -0.27 -0.38 0.22 0.00 0.00 0.00 179.25 178.45 1u89 h ASP 865 N -0.05 0.85 -0.29 0.00 3.58 -1.17 -2.47 116.42 116.87 1u89 h ASP 865 Ca 0.03 -0.38 -0.07 0.00 0.42 0.00 0.00 57.03 57.03 1u89 h ASP 865 Cb 0.22 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 1u89 h ASP 865 CO -0.00 1.13 -0.03 0.00 -2.88 0.00 0.00 179.24 177.46 1u89 h ALA 866 N 0.91 1.21 -0.52 -0.78 0.00 -0.89 -2.23 119.26 116.97 1u89 h ALA 866 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1u89 h ALA 866 Cb 0.93 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1u89 h ALA 866 CO 0.09 0.52 -0.01 1.15 0.00 0.00 0.00 179.25 180.99 1u89 h THR 867 N 0.61 1.25 -0.40 0.00 2.02 -1.03 -0.56 112.91 114.80 1u89 h THR 867 Ca 0.12 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.21 1u89 h THR 867 Cb 0.42 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1u89 h THR 867 CO 0.02 0.38 0.18 0.00 0.37 0.00 0.00 175.52 176.47 1u89 h ALA 868 N 1.16 0.51 -0.96 6.16 0.00 -1.14 0.21 119.26 125.20 1u89 h ALA 868 Ca 0.15 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1u89 h ALA 868 Cb 0.50 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 1u89 h ALA 868 CO 0.03 0.09 0.59 0.87 0.00 0.00 0.00 179.25 180.82 1u89 h LYS 869 N 0.50 0.89 0.12 0.00 1.57 -0.97 0.31 116.57 118.99 1u89 h LYS 869 Ca 0.13 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1u89 h LYS 869 Cb 0.14 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1u89 h LYS 869 CO -0.01 0.59 -0.06 1.98 -0.57 0.00 0.00 179.45 181.38 1u89 h MET 870 N 0.92 -0.16 -0.37 3.15 4.05 -0.49 -0.87 114.93 121.17 1u89 h MET 870 Ca 0.48 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.88 1u89 h MET 870 Cb 0.51 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.32 1u89 h MET 870 CO -0.28 0.26 0.07 -0.24 0.23 0.00 0.00 176.91 176.95 1u89 h VAL 871 N -0.63 1.18 0.00 -5.77 3.04 -0.21 0.20 116.25 114.05 1u89 h VAL 871 Ca -0.02 -0.64 -0.20 0.00 -1.01 0.00 0.00 66.70 64.83 1u89 h VAL 871 Cb 0.49 0.82 -0.01 0.00 -2.01 0.00 0.00 31.29 30.58 1u89 h VAL 871 CO 0.03 0.23 -0.89 -0.33 -1.01 0.00 0.00 177.57 175.60 1u89 h GLU 872 N 0.53 0.26 0.01 4.17 4.39 -0.41 -2.79 114.58 120.73 1u89 h GLU 872 Ca 0.12 -0.28 -0.00 0.00 0.34 0.00 0.00 59.36 59.54 1u89 h GLU 872 Cb 0.23 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 1u89 h GLU 872 CO -0.00 0.99 -0.01 0.00 -1.16 0.00 0.00 179.01 178.84 1u89 h ALA 873 N 0.91 -0.01 -0.49 3.43 0.00 -0.59 -2.86 119.26 119.65 1u89 h ALA 873 Ca -0.05 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 1u89 h ALA 873 Cb 1.52 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 1u89 h ALA 873 CO 0.14 -0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.44 1u89 h ALA 874 N -0.03 1.26 0.00 0.00 0.00 -0.74 0.32 119.26 120.07 1u89 h ALA 874 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1u89 h ALA 874 Cb 0.81 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1u89 h ALA 874 CO 0.00 0.51 -0.48 -0.22 0.00 0.00 0.00 179.25 179.06 1u89 h LYS 875 N 0.72 0.00 0.01 0.00 3.64 -1.63 -3.20 116.57 116.11 1u89 h LYS 875 Ca 0.16 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1u89 h LYS 875 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1u89 h LYS 875 CO 0.00 0.48 -0.51 0.78 -2.27 0.00 0.00 179.45 177.93 1u89 h GLY 876 N 3.38 0.03 -3.33 5.01 0.00 -1.15 -3.35 103.07 103.66 1u89 h GLY 876 Ca -0.00 -0.07 -0.21 0.00 0.00 0.00 0.00 47.33 47.05 1u89 h GLY 876 CO 0.06 0.06 0.26 0.00 0.00 0.00 0.00 176.54 176.92 1u89 n ALA 877 N -2.89 4.75 -2.60 3.60 0.00 0.11 -4.30 120.51 119.18 1u89 n ALA 877 Ca -0.18 -1.08 -0.42 0.00 0.00 0.00 0.00 53.44 51.76 1u89 n ALA 877 Cb 0.58 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 s ALA 878 N -1.12 2.88 0.00 0.00 0.00 -1.21 -4.70 121.76 117.61 1u89 s ALA 878 Ca 0.21 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.91 1u89 s ALA 878 Cb 0.16 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1u89 s ALA 878 CO -0.01 -3.00 0.00 0.00 0.00 0.00 0.00 175.76 172.75 1u89 n ALA 879 N 8.83 0.00 -3.59 0.00 0.00 -1.26 -4.23 120.51 120.25 1u89 n ALA 879 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 1u89 n ALA 879 Cb 0.49 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.77 1u89 n ALA 879 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1u89 s HIS 880 N 0.00 0.09 0.00 0.00 5.65 -1.26 -5.05 115.29 114.71 1u89 s HIS 880 Ca 0.00 -0.16 0.00 0.00 0.25 0.00 0.00 55.06 55.15 1u89 s HIS 880 Cb 0.00 -0.61 0.00 0.00 -1.18 0.00 0.00 32.58 30.79 1u89 s HIS 880 CO 0.00 -0.51 0.00 -2.30 -0.65 0.00 0.00 174.74 171.28 1u89 n PRO 881 N 5.29 0.00 -0.10 2.88 -0.02 -1.26 -4.90 135.00 136.89 1u89 n PRO 881 Ca -0.06 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.22 1u89 n PRO 881 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.89 1u89 n PRO 881 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1u89 n ASP 882 N 0.00 1.89 -3.72 2.55 2.03 -1.13 -4.78 116.55 113.38 1u89 n ASP 882 Ca 0.00 0.11 -0.22 0.00 0.52 0.00 0.00 54.79 55.20 1u89 n ASP 882 Cb 0.00 -0.50 0.00 0.00 -0.72 0.00 0.00 41.12 39.91 1u89 n ASP 882 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1u89 n SER 883 N -3.59 -5.15 -4.67 1.67 3.41 0.66 -4.83 113.62 101.11 1u89 n SER 883 Ca -0.39 -0.88 -0.42 0.00 -0.26 0.00 0.00 58.87 56.92 1u89 n SER 883 Cb 0.83 -2.07 -0.03 0.00 -0.26 0.00 0.00 64.21 62.68 1u89 n SER 883 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u89 s GLU 884 N -4.80 4.20 -0.15 4.33 0.41 -1.26 -4.87 118.70 116.56 1u89 s GLU 884 Ca 0.01 2.15 -0.33 0.00 -0.41 0.00 0.00 54.97 56.39 1u89 s GLU 884 Cb -0.01 -3.85 -0.11 0.00 -1.78 0.00 0.00 34.13 28.39 1u89 s GLU 884 CO 0.88 -0.78 1.99 0.39 -0.49 0.00 0.00 175.26 177.26 1u89 n GLU 885 N 6.60 1.99 -0.10 1.61 1.02 -1.26 -4.86 120.64 125.65 1u89 n GLU 885 Ca 0.16 0.68 -0.14 0.00 -0.02 0.00 0.00 57.16 57.84 1u89 n GLU 885 Cb 0.43 -2.72 -0.03 0.00 -0.02 0.00 0.00 31.44 29.09 1u89 n GLU 885 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1u89 h GLN 886 N 10.74 0.88 0.00 3.49 7.50 -1.91 -2.78 115.11 133.02 1u89 h GLN 886 Ca -0.44 -0.50 -0.07 0.00 0.50 0.00 0.00 58.65 58.14 1u89 h GLN 886 Cb 1.27 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 28.83 1u89 h GLN 886 CO 0.96 1.15 -0.31 0.37 -1.50 0.00 0.00 178.83 179.50 1u89 h GLN 887 N 0.67 0.00 -6.14 1.46 4.15 -2.02 -3.46 115.11 109.76 1u89 h GLN 887 Ca 0.04 0.00 -0.45 0.00 0.77 0.00 0.00 58.65 59.01 1u89 h GLN 887 Cb 1.04 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.76 1u89 h GLN 887 CO 0.10 0.31 -0.74 1.04 -1.93 0.00 0.00 178.83 177.62 1u89 n GLN 888 N -3.33 -6.28 0.00 1.69 1.13 -1.05 -5.32 117.38 104.22 1u89 n GLN 888 Ca 0.01 0.68 0.02 0.00 -1.94 0.00 0.00 57.00 55.77 1u89 n GLN 888 Cb 0.54 -5.60 0.02 0.00 0.11 0.00 0.00 30.24 25.30 1u89 n GLN 888 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49