#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 s SER 752 N 0.00 4.54 -0.61 1.61 0.01 -1.26 -5.05 113.70 112.95 1u89 s SER 752 Ca 0.00 -0.13 -0.27 0.00 1.31 0.00 0.00 55.95 56.86 1u89 s SER 752 Cb 0.00 -1.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.76 1u89 s SER 752 CO 0.00 0.25 1.78 -1.00 0.41 0.00 0.00 173.24 174.69 1u89 s HIS 753 N -0.16 1.76 -0.03 2.43 4.02 -1.26 -4.91 115.29 117.13 1u89 s HIS 753 Ca 0.02 0.69 -0.33 0.00 1.02 0.00 0.00 55.06 56.46 1u89 s HIS 753 Cb -0.13 -4.16 -0.11 0.00 -1.02 0.00 0.00 32.58 27.17 1u89 s HIS 753 CO 0.03 -2.31 1.91 -0.12 1.02 0.00 0.00 174.74 175.27 1u89 n MET 754 N 9.13 2.45 -3.39 1.40 0.00 -1.26 -4.98 117.12 120.48 1u89 n MET 754 Ca 0.19 0.90 -0.31 0.00 -0.00 0.00 0.00 57.70 58.47 1u89 n MET 754 Cb 0.51 -2.79 -0.05 0.00 0.00 0.00 0.00 33.22 30.90 1u89 n MET 754 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 1u89 s GLN 755 N 4.13 3.78 0.23 2.12 2.00 -1.26 -5.00 119.66 125.66 1u89 s GLN 755 Ca 0.91 0.25 -0.08 0.00 -2.00 0.00 0.00 55.36 54.43 1u89 s GLN 755 Cb -0.59 -2.64 0.21 0.00 0.80 0.00 0.00 33.01 30.79 1u89 s GLN 755 CO 0.48 0.29 1.89 0.00 -0.50 0.00 0.00 175.29 177.45 1u89 h ALA 756 N 2.40 1.08 0.00 1.58 0.00 -2.03 -3.45 119.26 118.83 1u89 h ALA 756 Ca -0.47 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1u89 h ALA 756 Cb 1.17 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1u89 h ALA 756 CO 0.69 0.43 0.00 0.00 0.00 0.00 0.00 179.25 180.37 1u89 n ALA 757 N -2.33 0.00 -1.06 0.00 0.00 -1.26 -4.63 120.51 111.23 1u89 n ALA 757 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.27 1u89 n ALA 757 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.43 1u89 n ALA 757 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u89 n THR 758 N 0.00 3.40 -1.67 0.00 -1.04 -1.26 -4.83 114.28 108.87 1u89 n THR 758 Ca 0.00 -1.94 -0.45 0.00 -2.04 0.00 0.00 64.05 59.61 1u89 n THR 758 Cb 0.00 -2.30 -0.03 0.00 -1.82 0.00 0.00 70.33 66.18 1u89 n THR 758 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1u89 n GLU 759 N 3.37 2.10 0.07 -2.82 -0.58 -1.26 -4.86 120.64 116.65 1u89 n GLU 759 Ca 0.59 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 58.08 1u89 n GLU 759 Cb 0.40 -2.47 0.00 0.00 -0.57 0.00 0.00 31.44 28.80 1u89 n GLU 759 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1u89 n ASP 760 N 2.74 0.03 -2.87 1.62 2.03 -1.26 -4.72 116.55 114.12 1u89 n ASP 760 Ca 0.14 0.23 -0.12 0.00 0.52 0.00 0.00 54.79 55.56 1u89 n ASP 760 Cb 0.30 0.15 0.03 0.00 -0.72 0.00 0.00 41.12 40.88 1u89 n ASP 760 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1u89 n GLY 761 N 1.84 1.00 1.76 0.27 0.00 -1.26 -4.88 105.19 103.91 1u89 n GLY 761 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 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 1.20 1.74 0.20 1.61 3.00 -1.26 -4.61 117.38 119.26 1u89 n GLN 762 Ca 0.12 -1.63 -0.15 0.00 -0.01 0.00 0.00 57.00 55.34 1u89 n GLN 762 Cb 0.63 -1.64 -0.07 0.00 0.00 0.00 0.00 30.24 29.16 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1u89 h LEU 763 N 1.60 -0.79 0.02 1.08 -0.00 -1.93 0.97 115.31 116.27 1u89 h LEU 763 Ca 0.33 0.07 -0.36 0.00 -0.00 0.00 0.00 57.88 57.91 1u89 h LEU 763 Cb 1.54 0.27 -0.06 0.00 -0.00 0.00 0.00 40.66 42.41 1u89 h LEU 763 CO 0.68 -0.42 -2.23 0.18 -0.00 0.00 0.00 178.44 176.65 1u89 n LEU 764 N -5.41 1.59 -0.11 1.67 4.77 -1.26 -2.30 117.00 115.95 1u89 n LEU 764 Ca -0.09 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.86 1u89 n LEU 764 Cb 0.32 -0.30 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 1u89 n LEU 764 CO 0.29 0.69 0.92 0.03 -1.33 0.00 0.00 177.39 177.99 1u89 h ARG 765 N 0.01 0.48 0.00 3.23 -0.00 -1.84 -2.69 114.38 113.58 1u89 h ARG 765 Ca -0.49 -0.08 0.00 0.00 -0.50 0.00 0.00 59.98 58.91 1u89 h ARG 765 Cb 2.06 -0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.94 1u89 h ARG 765 CO 0.01 0.46 -0.54 0.41 0.00 0.00 0.00 179.97 180.30 1u89 n GLY 766 N -0.83 -0.65 0.27 0.04 0.00 0.23 -4.16 105.19 100.08 1u89 n GLY 766 Ca -0.01 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.77 1u89 n GLY 766 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1u89 h VAL 767 N -0.69 1.20 0.38 1.61 2.07 -1.18 -1.64 116.25 118.00 1u89 h VAL 767 Ca 0.00 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1u89 h VAL 767 Cb 0.54 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 1u89 h VAL 767 CO 0.00 0.21 -0.34 1.23 0.02 0.00 0.00 177.57 178.69 1u89 h GLY 768 N 0.90 -0.82 1.00 2.17 0.00 -1.11 0.29 103.07 105.50 1u89 h GLY 768 Ca 0.24 0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.96 1u89 h GLY 768 CO -0.04 -0.30 0.40 0.00 0.00 0.00 0.00 176.54 176.60 1u89 h ALA 769 N -0.27 0.78 -0.46 3.60 0.00 -1.48 -0.98 119.26 120.45 1u89 h ALA 769 Ca -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 769 Cb 0.65 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1u89 h ALA 769 CO -0.04 0.22 0.11 0.00 0.00 0.00 0.00 179.25 179.54 1u89 h ALA 770 N 1.22 0.61 -0.51 0.00 0.00 -1.10 -0.90 119.26 118.58 1u89 h ALA 770 Ca 0.22 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1u89 h ALA 770 Cb -0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1u89 h ALA 770 CO -0.05 0.30 0.12 0.00 0.00 0.00 0.00 179.25 179.63 1u89 h ALA 771 N 0.98 0.67 -0.68 0.00 0.00 -0.15 -1.76 119.26 118.32 1u89 h ALA 771 Ca 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1u89 h ALA 771 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1u89 h ALA 771 CO 0.00 0.36 0.43 1.15 0.00 0.00 0.00 179.25 181.20 1u89 h THR 772 N 0.70 1.18 -0.58 0.00 2.02 -1.05 -1.12 112.91 114.06 1u89 h THR 772 Ca 0.16 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 67.01 1u89 h THR 772 Cb 0.34 0.21 -0.05 0.00 -1.74 0.00 0.00 68.15 66.91 1u89 h THR 772 CO 0.00 0.18 0.32 0.00 0.37 0.00 0.00 175.52 176.40 1u89 h ALA 773 N 1.23 0.76 -0.09 6.16 0.00 -0.77 0.22 119.26 126.78 1u89 h ALA 773 Ca 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1u89 h ALA 773 Cb -0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1u89 h ALA 773 CO -0.05 0.00 0.03 0.28 0.00 0.00 0.00 179.25 179.51 1u89 h VAL 774 N 0.61 1.16 -0.85 0.00 2.07 -1.01 0.80 116.25 119.04 1u89 h VAL 774 Ca 0.25 -0.49 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1u89 h VAL 774 Cb 0.12 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1u89 h VAL 774 CO -0.15 0.14 0.56 0.74 0.02 0.00 0.00 177.57 178.88 1u89 h THR 775 N -0.03 1.18 -0.16 2.57 2.02 -0.81 0.16 112.91 117.84 1u89 h THR 775 Ca 0.03 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.79 1u89 h THR 775 Cb 0.20 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1u89 h THR 775 CO -0.00 0.20 -0.04 1.56 0.37 0.00 0.00 175.52 177.61 1u89 h GLN 776 N 1.10 0.31 -0.42 6.66 1.08 -0.34 -1.07 115.11 122.43 1u89 h GLN 776 Ca 0.32 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1u89 h GLN 776 Cb -0.05 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 1u89 h GLN 776 CO -0.08 0.59 0.24 0.00 -0.95 0.00 0.00 178.83 178.63 1u89 h ALA 777 N 0.71 0.54 -0.52 3.87 0.00 -0.35 0.28 119.26 123.79 1u89 h ALA 777 Ca 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 777 Cb 0.48 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1u89 h ALA 777 CO 0.02 0.05 0.17 1.25 0.00 0.00 0.00 179.25 180.74 1u89 h LEU 778 N 0.55 0.75 -0.49 0.00 5.85 -0.69 0.24 115.31 121.52 1u89 h LEU 778 Ca 0.15 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1u89 h LEU 778 Cb 0.04 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1u89 h LEU 778 CO -0.03 0.76 0.28 0.78 -0.34 0.00 0.00 178.44 179.89 1u89 h ASN 779 N 0.71 0.60 0.07 1.25 2.35 -0.94 0.20 115.58 119.81 1u89 h ASN 779 Ca 0.17 -0.07 0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1u89 h ASN 779 Cb 0.27 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.48 1u89 h ASN 779 CO -0.01 0.50 -0.08 -0.08 -1.65 0.00 0.00 177.43 176.11 1u89 h GLU 780 N 0.65 -0.17 -0.77 0.81 4.22 -0.65 -2.18 114.58 116.50 1u89 h GLU 780 Ca 0.17 0.01 -0.05 0.00 0.08 0.00 0.00 59.36 59.58 1u89 h GLU 780 Cb 0.02 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1u89 h GLU 780 CO -0.03 -0.11 0.29 1.25 -2.18 0.00 0.00 179.01 178.23 1u89 h LEU 781 N -0.17 1.07 -0.50 1.64 5.85 -0.74 -0.95 115.31 121.51 1u89 h LEU 781 Ca 0.01 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.61 1u89 h LEU 781 Cb 0.18 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.88 1u89 h LEU 781 CO -0.03 0.96 0.23 -0.07 -0.34 0.00 0.00 178.44 179.19 1u89 h LEU 782 N 1.12 0.31 -0.65 2.25 3.38 -0.33 0.30 115.31 121.69 1u89 h LEU 782 Ca 0.25 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 58.15 1u89 h LEU 782 Cb 0.24 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1u89 h LEU 782 CO -0.02 0.21 -0.14 1.56 0.09 0.00 0.00 178.44 180.15 1u89 h GLN 783 N 0.45 0.91 -0.41 1.13 4.20 -1.09 -0.59 115.11 119.72 1u89 h GLN 783 Ca 0.23 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 1u89 h GLN 783 Cb 0.17 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1u89 h GLN 783 CO -0.18 0.99 0.17 1.25 -0.67 0.00 0.00 178.83 180.38 1u89 h HIS 784 N 0.81 0.62 -0.13 2.96 2.76 -0.15 -0.99 115.15 121.03 1u89 h HIS 784 Ca 0.13 -0.04 -0.22 0.00 -2.20 0.00 0.00 60.37 58.03 1u89 h HIS 784 Cb 0.67 -0.19 0.01 0.00 1.55 0.00 0.00 27.41 29.46 1u89 h HIS 784 CO 0.04 0.54 -0.79 0.28 -1.30 0.00 0.00 177.93 176.70 1u89 h VAL 785 N 0.52 1.29 -0.71 5.26 2.07 -0.39 -2.14 116.25 122.16 1u89 h VAL 785 Ca 0.14 -2.02 -0.05 0.00 0.82 0.00 0.00 66.70 65.58 1u89 h VAL 785 Cb 0.18 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 1u89 h VAL 785 CO -0.01 0.63 0.24 0.11 0.02 0.00 0.00 177.57 178.56 1u89 h LYS 786 N 0.49 1.07 0.00 1.57 6.56 -0.97 -1.97 116.57 123.32 1u89 h LYS 786 Ca -0.05 -0.21 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1u89 h LYS 786 Cb 1.41 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 32.90 1u89 h LYS 786 CO 0.16 0.90 -0.16 0.00 -2.06 0.00 0.00 179.45 178.29 1u89 n ALA 787 N -2.45 2.54 -2.97 3.86 0.00 -0.39 -4.86 120.51 116.24 1u89 n ALA 787 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1u89 n ALA 787 Cb 0.21 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.28 1u89 n ALA 787 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1u89 n HIS 788 N -1.93 0.00 -3.50 0.00 8.25 -0.75 -4.99 115.22 112.30 1u89 n HIS 788 Ca 0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.30 1u89 n HIS 788 Cb 0.40 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.54 1u89 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u89 n ALA 789 N -3.00 -2.57 -1.41 -1.41 0.00 -1.19 -4.81 120.51 106.13 1u89 n ALA 789 Ca 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 1u89 n ALA 789 Cb 0.00 -3.46 -0.03 0.00 0.00 0.00 0.00 19.45 15.96 1u89 n ALA 789 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1u89 n THR 790 N -3.35 4.46 -3.37 0.00 -1.04 -1.26 -4.66 114.28 105.05 1u89 n THR 790 Ca -0.10 -2.85 -0.12 0.00 -2.04 0.00 0.00 64.05 58.95 1u89 n THR 790 Cb 0.59 -2.52 -0.09 0.00 -1.82 0.00 0.00 70.33 66.49 1u89 n THR 790 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 1u89 s GLY 791 N 1.88 -0.34 -1.17 3.41 0.00 -1.26 -5.07 107.32 104.77 1u89 s GLY 791 Ca 0.67 0.50 -0.22 0.00 0.00 0.00 0.00 44.72 45.67 1u89 s GLY 791 CO -0.07 2.65 1.91 0.00 0.00 0.00 0.00 173.10 177.59 1u89 s ALA 792 N 2.48 1.98 0.00 3.20 0.00 -1.26 -4.17 121.76 123.99 1u89 s ALA 792 Ca 0.11 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 49.87 1u89 s ALA 792 Cb -0.15 -4.66 0.00 0.00 0.00 0.00 0.00 23.12 18.31 1u89 s ALA 792 CO -0.20 -4.95 0.00 0.41 0.00 0.00 0.00 175.76 171.01 1u89 n GLY 793 N 5.86 -1.88 1.81 0.00 0.00 -1.26 -5.01 105.19 104.71 1u89 n GLY 793 Ca 0.45 0.70 -0.08 0.00 0.00 0.00 0.00 46.02 47.08 1u89 n GLY 793 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1u89 n PRO 794 N 0.00 1.57 0.00 1.61 -0.04 -1.26 -4.35 135.00 132.54 1u89 n PRO 794 Ca 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 1u89 n PRO 794 Cb 0.00 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 1u89 n PRO 794 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u89 n ALA 795 N 1.69 1.19 -2.29 0.55 0.00 -1.26 -4.99 120.51 115.39 1u89 n ALA 795 Ca 0.23 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 1u89 n ALA 795 Cb 0.67 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 1u89 n ALA 795 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u89 n GLY 796 N 3.65 -0.16 1.94 0.00 0.00 -1.26 -1.79 105.19 107.56 1u89 n GLY 796 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1u89 n GLY 796 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u89 n ARG 797 N -2.92 -1.81 -3.99 1.61 3.00 -1.26 -1.78 116.66 109.52 1u89 n ARG 797 Ca -0.24 0.35 -0.33 0.00 -0.01 0.00 0.00 57.85 57.62 1u89 n ARG 797 Cb 0.68 -4.67 -0.01 0.00 0.00 0.00 0.00 32.46 28.47 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 -2.13 -1.57 -0.17 -1.55 4.01 -0.74 -4.75 117.16 110.26 1u89 n TYR 798 Ca -0.07 0.49 -0.02 0.00 -0.16 0.00 0.00 57.90 58.14 1u89 n TYR 798 Cb 0.37 -3.26 0.07 0.00 -0.31 0.00 0.00 39.34 36.21 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 -2.04 0.15 -0.07 7.72 3.58 -1.61 0.14 116.42 124.30 1u89 h ASP 799 Ca -0.67 0.07 -0.16 0.00 0.42 0.00 0.00 57.03 56.69 1u89 h ASP 799 Cb 1.38 0.06 0.01 0.00 1.72 0.00 0.00 39.33 42.51 1u89 h ASP 799 CO 0.58 0.11 -0.59 -0.61 -2.88 0.00 0.00 179.24 175.85 1u89 h GLN 800 N 0.34 0.53 0.03 0.28 5.75 -1.88 -1.95 115.11 118.20 1u89 h GLN 800 Ca 0.26 -0.47 0.01 0.00 -0.15 0.00 0.00 58.65 58.30 1u89 h GLN 800 Cb 0.30 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1u89 h GLN 800 CO -0.28 1.10 -0.07 0.00 -2.65 0.00 0.00 178.83 176.94 1u89 h ALA 801 N 0.44 -0.09 -0.53 3.38 0.00 -1.82 0.12 119.26 120.74 1u89 h ALA 801 Ca -0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1u89 h ALA 801 Cb 1.25 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 1u89 h ALA 801 CO 0.12 -0.57 0.17 1.79 0.00 0.00 0.00 179.25 180.76 1u89 h THR 802 N -0.13 1.23 -0.40 0.00 1.35 -1.05 -2.02 112.91 111.89 1u89 h THR 802 Ca 0.02 -0.78 0.02 0.00 -0.55 0.00 0.00 66.41 65.12 1u89 h THR 802 Cb 0.15 0.73 -0.03 0.00 -1.73 0.00 0.00 68.15 67.28 1u89 h THR 802 CO -0.05 0.29 0.23 -0.78 -0.25 0.00 0.00 175.52 174.95 1u89 h ASP 803 N 0.73 0.36 -0.13 5.36 3.58 -1.10 -1.58 116.42 123.64 1u89 h ASP 803 Ca 0.17 0.01 0.01 0.00 0.42 0.00 0.00 57.03 57.64 1u89 h ASP 803 Cb 0.27 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 1u89 h ASP 803 CO -0.01 0.26 0.04 0.74 -2.88 0.00 0.00 179.24 177.40 1u89 h THR 804 N 0.46 0.97 0.50 2.25 2.02 -0.50 -0.78 112.91 117.83 1u89 h THR 804 Ca 0.16 -0.04 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1u89 h THR 804 Cb 0.02 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1u89 h THR 804 CO -0.08 0.02 -0.38 0.40 0.37 0.00 0.00 175.52 175.85 1u89 h ILE 805 N 0.11 0.22 -0.47 3.11 2.04 -1.14 -1.01 117.51 120.36 1u89 h ILE 805 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.98 1u89 h ILE 805 Cb 0.03 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 1u89 h ILE 805 CO -0.06 0.00 0.14 0.25 0.00 0.00 0.00 178.15 178.48 1u89 h LEU 806 N -0.86 0.11 -1.54 1.44 6.46 -1.20 0.22 115.31 119.94 1u89 h LEU 806 Ca -0.05 0.07 0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1u89 h LEU 806 Cb 0.73 0.07 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 1u89 h LEU 806 CO 0.01 0.09 0.33 0.74 -0.62 0.00 0.00 178.44 178.99 1u89 h THR 807 N 0.30 1.09 -0.03 1.05 2.02 -0.98 0.30 112.91 116.66 1u89 h THR 807 Ca 0.23 -0.21 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 1u89 h THR 807 Cb 0.26 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1u89 h THR 807 CO -0.26 0.11 -0.29 0.58 0.37 0.00 0.00 175.52 176.03 1u89 h VAL 808 N 0.61 1.48 -0.56 3.16 2.07 0.36 0.14 116.25 123.51 1u89 h VAL 808 Ca 0.19 -1.81 -0.03 0.00 0.82 0.00 0.00 66.70 65.87 1u89 h VAL 808 Cb 0.02 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1u89 h VAL 808 CO -0.05 0.51 0.25 0.74 0.02 0.00 0.00 177.57 179.04 1u89 h THR 809 N -0.32 1.21 -0.56 2.57 2.02 -0.28 0.12 112.91 117.68 1u89 h THR 809 Ca -0.03 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 1u89 h THR 809 Cb 0.98 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 1u89 h THR 809 CO 0.06 0.25 0.16 -0.08 0.37 0.00 0.00 175.52 176.27 1u89 h GLU 810 N 0.76 0.85 -0.23 6.66 4.81 -0.47 -1.11 114.58 125.84 1u89 h GLU 810 Ca 0.19 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1u89 h GLU 810 Cb 0.16 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1u89 h GLU 810 CO -0.02 0.75 0.14 -0.91 -0.73 0.00 0.00 179.01 178.23 1u89 h ASN 811 N 0.82 0.28 -0.34 1.04 2.35 0.26 -2.01 115.58 117.98 1u89 h ASN 811 Ca 0.18 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.79 1u89 h ASN 811 Cb 0.27 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 1u89 h ASN 811 CO -0.01 0.26 -0.09 0.40 -1.65 0.00 0.00 177.43 176.35 1u89 h ILE 812 N 0.29 1.25 -0.13 2.81 2.04 -0.49 0.54 117.51 123.82 1u89 h ILE 812 Ca 0.08 -1.12 0.02 0.00 1.00 0.00 0.00 64.86 64.84 1u89 h ILE 812 Cb 0.03 1.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1u89 h ILE 812 CO -0.02 0.38 0.09 -0.26 0.00 0.00 0.00 178.15 178.35 1u89 h PHE 813 N 0.69 0.09 0.08 1.37 0.04 -0.96 0.11 116.94 118.37 1u89 h PHE 813 Ca 0.12 0.00 -0.32 0.00 2.80 0.00 0.00 57.97 60.58 1u89 h PHE 813 Cb 0.55 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 1u89 h PHE 813 CO 0.03 0.06 -1.72 0.77 -0.60 0.00 0.00 178.31 176.84 1u89 h SER 814 N 0.10 0.25 0.18 2.17 0.02 -0.50 -3.32 113.55 112.44 1u89 h SER 814 Ca 0.05 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1u89 h SER 814 Cb 0.09 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.55 1u89 h SER 814 CO -0.01 1.40 -0.04 -1.54 -1.14 0.00 0.00 176.83 175.51 1u89 n SER 815 N -3.31 0.44 -4.40 3.07 3.41 0.18 -4.86 113.62 108.14 1u89 n SER 815 Ca -0.21 -0.86 -0.51 0.00 -0.26 0.00 0.00 58.87 57.03 1u89 n SER 815 Cb 1.04 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.85 1u89 n SER 815 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1u89 n MET 816 N -0.80 0.66 0.00 4.33 2.00 0.35 -0.08 117.12 123.59 1u89 n MET 816 Ca 0.19 0.16 0.00 0.00 0.00 0.00 0.00 57.70 58.05 1u89 n MET 816 Cb 0.23 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.29 1u89 n MET 816 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1u89 n GLY 817 N 6.77 3.90 3.47 3.03 0.00 -1.26 -5.04 105.19 116.06 1u89 n GLY 817 Ca 0.48 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 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 0.00 6.36 0.28 1.61 2.15 0.89 -4.88 116.67 123.08 1u89 s ASP 818 Ca 0.00 -1.39 0.00 0.00 0.43 0.00 0.00 52.55 51.59 1u89 s ASP 818 Cb 0.00 -2.43 0.50 0.00 -0.30 0.00 0.00 42.92 40.69 1u89 s ASP 818 CO 0.00 -1.33 1.86 0.00 -0.17 0.00 0.00 175.17 175.54 1u89 h ALA 819 N 9.34 1.48 0.22 3.66 0.00 -1.86 -0.92 119.26 131.19 1u89 h ALA 819 Ca -0.08 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1u89 h ALA 819 Cb 1.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1u89 h ALA 819 CO 1.18 0.32 -0.31 0.78 0.00 0.00 0.00 179.25 181.22 1u89 h GLY 820 N 1.06 -0.65 1.00 0.00 0.00 -1.93 0.13 103.07 102.69 1u89 h GLY 820 Ca 0.46 0.36 -0.06 0.00 0.00 0.00 0.00 47.33 48.09 1u89 h GLY 820 CO -0.21 -0.26 0.13 -2.09 0.00 0.00 0.00 176.54 174.11 1u89 h GLU 821 N -0.59 0.88 -0.48 4.80 4.57 -1.84 -0.67 114.58 121.25 1u89 h GLU 821 Ca 0.01 -0.22 0.05 0.00 -1.18 0.00 0.00 59.36 58.02 1u89 h GLU 821 Cb 0.57 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 1u89 h GLU 821 CO -0.12 0.83 0.22 0.52 -1.18 0.00 0.00 179.01 179.29 1u89 h MET 822 N 0.78 0.42 -0.36 1.92 2.86 -0.91 0.36 114.93 119.99 1u89 h MET 822 Ca 0.17 -0.03 -0.13 0.00 -2.06 0.00 0.00 59.70 57.65 1u89 h MET 822 Cb 0.35 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1u89 h MET 822 CO 0.00 0.28 -0.29 0.28 1.06 0.00 0.00 176.91 178.24 1u89 h VAL 823 N 0.43 1.28 0.31 -2.22 2.07 -0.86 -1.77 116.25 115.49 1u89 h VAL 823 Ca 0.22 -1.45 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1u89 h VAL 823 Cb 0.17 1.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1u89 h VAL 823 CO -0.18 0.48 -0.23 -0.09 0.02 0.00 0.00 177.57 177.57 1u89 h ARG 824 N 0.63 -0.52 -0.26 1.57 1.12 -0.34 -2.61 114.38 113.97 1u89 h ARG 824 Ca 0.07 0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.92 1u89 h ARG 824 Cb 0.86 0.12 -0.02 0.00 -0.01 0.00 0.00 29.97 30.92 1u89 h ARG 824 CO 0.08 -0.35 -0.08 1.96 -3.11 0.00 0.00 179.97 178.47 1u89 h GLN 825 N -0.54 0.42 -0.88 0.20 1.08 -0.35 -2.38 115.11 112.66 1u89 h GLN 825 Ca -0.02 -0.10 0.06 0.00 -1.45 0.00 0.00 58.65 57.14 1u89 h GLN 825 Cb 0.46 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.78 1u89 h GLN 825 CO 0.00 0.51 0.58 0.00 -0.95 0.00 0.00 178.83 178.97 1u89 h ALA 826 N 1.52 1.53 -0.43 3.87 0.00 -0.99 0.23 119.26 124.98 1u89 h ALA 826 Ca 0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 826 Cb 0.40 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1u89 h ALA 826 CO 0.02 0.34 -0.22 0.00 0.00 0.00 0.00 179.25 179.39 1u89 h ARG 827 N 1.00 0.88 -0.61 0.00 3.08 -1.07 -0.71 114.38 116.95 1u89 h ARG 827 Ca 0.38 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1u89 h ARG 827 Cb 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1u89 h ARG 827 CO -0.14 1.01 0.16 0.82 -1.07 0.00 0.00 179.97 180.76 1u89 h ILE 828 N 0.76 1.24 -0.09 2.04 2.04 -1.02 -1.14 117.51 121.34 1u89 h ILE 828 Ca 0.10 -0.84 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1u89 h ILE 828 Cb 0.77 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1u89 h ILE 828 CO 0.06 0.32 0.05 0.25 0.00 0.00 0.00 178.15 178.84 1u89 h LEU 829 N 0.90 0.11 -0.56 1.44 5.85 -0.22 -1.41 115.31 121.42 1u89 h LEU 829 Ca 0.20 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1u89 h LEU 829 Cb 0.30 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1u89 h LEU 829 CO -0.00 0.13 0.29 0.00 -0.34 0.00 0.00 178.44 178.52 1u89 h ALA 830 N 0.98 0.73 -0.53 1.25 0.00 -0.74 -0.86 119.26 120.08 1u89 h ALA 830 Ca 0.03 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1u89 h ALA 830 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1u89 h ALA 830 CO -0.01 -0.06 0.22 0.37 0.00 0.00 0.00 179.25 179.77 1u89 h GLN 831 N 0.54 0.79 0.00 0.00 5.75 -1.08 -1.27 115.11 119.85 1u89 h GLN 831 Ca 0.25 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1u89 h GLN 831 Cb 0.16 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.59 1u89 h GLN 831 CO -0.17 0.69 -0.00 0.00 -2.65 0.00 0.00 178.83 176.70 1u89 h ALA 832 N 1.06 -0.00 -0.11 3.38 0.00 -0.69 -2.64 119.26 120.26 1u89 h ALA 832 Ca 0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1u89 h ALA 832 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1u89 h ALA 832 CO -0.02 -0.41 -0.23 1.15 0.00 0.00 0.00 179.25 179.75 1u89 h THR 833 N -0.20 1.22 -0.78 0.00 2.02 -1.15 -0.34 112.91 113.69 1u89 h THR 833 Ca -0.00 -1.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.16 1u89 h THR 833 Cb 0.20 1.39 -0.04 0.00 -1.74 0.00 0.00 68.15 67.96 1u89 h THR 833 CO 0.00 0.30 0.42 0.28 0.37 0.00 0.00 175.52 176.89 1u89 h SER 834 N 0.17 0.97 0.10 4.18 0.02 -1.01 0.23 113.55 118.22 1u89 h SER 834 Ca 0.03 -0.08 -0.29 0.00 -0.84 0.00 0.00 61.79 60.61 1u89 h SER 834 Cb 0.51 -0.25 0.03 0.00 0.14 0.00 0.00 62.40 62.82 1u89 h SER 834 CO 0.03 0.79 -1.17 -0.78 -1.14 0.00 0.00 176.83 174.57 1u89 h ASP 835 N 1.09 0.87 0.21 3.07 3.58 -1.09 -2.94 116.42 121.22 1u89 h ASP 835 Ca 0.27 -0.76 -0.01 0.00 0.42 0.00 0.00 57.03 56.95 1u89 h ASP 835 Cb 0.04 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.82 1u89 h ASP 835 CO -0.04 1.57 -0.10 0.25 -2.88 0.00 0.00 179.24 178.03 1u89 h LEU 836 N 0.32 -0.25 -0.54 2.28 5.85 -0.64 -1.43 115.31 120.90 1u89 h LEU 836 Ca -0.16 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.54 1u89 h LEU 836 Cb 1.83 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.90 1u89 h LEU 836 CO 0.22 -0.17 0.25 0.58 -0.34 0.00 0.00 178.44 178.98 1u89 h VAL 837 N -0.29 1.20 -0.46 1.05 2.07 -0.67 -2.43 116.25 116.74 1u89 h VAL 837 Ca -0.03 -0.58 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1u89 h VAL 837 Cb 0.22 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1u89 h VAL 837 CO 0.04 0.23 0.08 -1.13 0.02 0.00 0.00 177.57 176.82 1u89 h ASN 838 N 0.73 0.65 -0.05 0.57 -1.24 -1.43 0.15 115.58 114.96 1u89 h ASN 838 Ca 0.18 -0.11 -0.00 0.00 0.71 0.00 0.00 56.30 57.08 1u89 h ASN 838 Cb 0.13 -0.17 -0.00 0.00 0.73 0.00 0.00 38.32 39.01 1u89 h ASN 838 CO -0.02 0.67 0.02 0.00 -1.29 0.00 0.00 177.43 176.80 1u89 h ALA 839 N 1.42 0.06 -0.34 1.57 0.00 -0.81 -1.43 119.26 119.74 1u89 h ALA 839 Ca 0.15 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1u89 h ALA 839 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1u89 h ALA 839 CO 0.00 -0.37 -0.26 0.82 0.00 0.00 0.00 179.25 179.45 1u89 h ILE 840 N -0.06 1.27 -0.94 0.00 2.04 -1.19 -0.88 117.51 117.75 1u89 h ILE 840 Ca 0.02 -1.36 0.05 0.00 1.00 0.00 0.00 64.86 64.57 1u89 h ILE 840 Cb 0.14 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1u89 h ILE 840 CO -0.00 0.45 0.61 0.50 0.00 0.00 0.00 178.15 179.71 1u89 h LYS 841 N 0.60 1.09 0.00 2.37 3.11 -0.49 0.47 116.57 123.72 1u89 h LYS 841 Ca 0.08 -0.07 -0.10 0.00 -2.81 0.00 0.00 60.65 57.75 1u89 h LYS 841 Cb 0.75 -0.25 0.01 0.00 -1.00 0.00 0.00 32.23 31.74 1u89 h LYS 841 CO 0.06 0.72 -0.39 0.00 -2.81 0.00 0.00 179.45 177.03 1u89 h ALA 842 N 1.48 0.04 -0.14 5.00 0.00 -1.03 -3.32 119.26 121.29 1u89 h ALA 842 Ca 0.40 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1u89 h ALA 842 Cb 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1u89 h ALA 842 CO -0.14 0.19 0.09 0.22 0.00 0.00 0.00 179.25 179.60 1u89 h ASP 843 N -0.36 0.16 0.34 0.00 3.58 -0.74 -2.53 116.42 116.86 1u89 h ASP 843 Ca -0.05 -0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.37 1u89 h ASP 843 Cb 1.14 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 42.15 1u89 h ASP 843 CO 0.08 0.14 0.00 0.00 -2.88 0.00 0.00 179.24 176.58 1u89 h ALA 844 N 1.03 1.00 0.00 -0.78 0.00 -1.07 0.14 119.26 119.58 1u89 h ALA 844 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 844 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1u89 h ALA 844 CO -0.01 0.00 -0.35 0.93 0.00 0.00 0.00 179.25 179.82 1u89 h GLU 845 N 0.00 0.00 0.00 0.00 4.39 -1.55 -2.89 114.58 114.53 1u89 h GLU 845 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1u89 h GLU 845 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1u89 h GLU 845 CO 0.00 0.35 -0.63 0.78 -1.16 0.00 0.00 179.01 178.35 1u89 h GLY 846 N 2.04 0.00 -5.16 -3.84 0.00 -1.03 -3.45 103.07 91.62 1u89 h GLY 846 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1u89 h GLY 846 CO 0.05 0.00 0.96 1.85 0.00 0.00 0.00 176.54 179.39 1u89 s GLU 847 N -3.27 4.22 0.46 4.80 2.56 -1.09 -4.89 118.70 121.49 1u89 s GLU 847 Ca 0.03 1.85 0.26 0.00 0.00 0.00 0.00 54.97 57.11 1u89 s GLU 847 Cb 0.10 -3.83 0.95 0.00 2.00 0.00 0.00 34.13 33.35 1u89 s GLU 847 CO 0.74 -0.74 1.83 0.77 -0.56 0.00 0.00 175.26 177.30 1u89 h SER 848 N 8.62 0.00 -1.68 -1.70 0.02 -1.87 -3.40 113.55 113.54 1u89 h SER 848 Ca -0.31 0.00 -0.47 0.00 -0.84 0.00 0.00 61.79 60.16 1u89 h SER 848 Cb 1.13 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.62 1u89 h SER 848 CO 0.96 0.18 1.17 -0.62 -1.14 0.00 0.00 176.83 177.37 1u89 s ASP 849 N -6.10 5.58 0.43 3.07 -1.08 -1.26 -4.82 116.67 112.48 1u89 s ASP 849 Ca 0.01 -0.27 0.23 0.00 -0.52 0.00 0.00 52.55 52.01 1u89 s ASP 849 Cb 0.10 -2.55 0.75 0.00 -1.46 0.00 0.00 42.92 39.76 1u89 s ASP 849 CO 0.62 -2.24 1.75 -0.07 0.52 0.00 0.00 175.17 175.75 1u89 h LEU 850 N 15.58 0.00 -0.01 -1.34 -0.00 -1.95 -0.71 115.31 126.89 1u89 h LEU 850 Ca -0.13 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.75 1u89 h LEU 850 Cb 1.08 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.74 1u89 h LEU 850 CO 1.25 0.22 -0.00 -0.33 -0.00 0.00 0.00 178.44 179.58 1u89 h GLU 851 N 0.00 0.01 -0.18 1.13 4.39 -1.96 -1.37 114.58 116.60 1u89 h GLU 851 Ca -0.00 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 1u89 h GLU 851 Cb 0.86 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 1u89 h GLU 851 CO 0.03 0.32 0.04 -0.97 -1.16 0.00 0.00 179.01 177.27 1u89 h ASN 852 N -0.30 0.27 -0.55 1.42 -1.24 -1.94 -2.98 115.58 110.27 1u89 h ASN 852 Ca 0.00 -0.23 0.01 0.00 0.71 0.00 0.00 56.30 56.79 1u89 h ASN 852 Cb 0.31 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.26 1u89 h ASN 852 CO 0.00 0.43 0.36 0.77 -1.29 0.00 0.00 177.43 177.70 1u89 h SER 853 N 0.09 0.61 -0.48 1.15 4.64 -1.14 -0.67 113.55 117.76 1u89 h SER 853 Ca 0.06 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 61.38 1u89 h SER 853 Cb 0.27 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1u89 h SER 853 CO 0.00 0.44 0.29 0.03 -0.87 0.00 0.00 176.83 176.73 1u89 h ARG 854 N 0.73 0.58 -0.74 4.77 3.08 -1.24 0.49 114.38 122.05 1u89 h ARG 854 Ca 0.20 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.25 1u89 h ARG 854 Cb -0.07 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 29.80 1u89 h ARG 854 CO -0.05 0.38 0.46 0.87 -1.07 0.00 0.00 179.97 180.56 1u89 h LYS 855 N 0.59 0.87 -0.02 0.04 1.57 -1.28 -0.36 116.57 117.99 1u89 h LYS 855 Ca 0.19 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1u89 h LYS 855 Cb -0.01 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.10 1u89 h LYS 855 CO -0.07 0.57 0.01 -0.07 -0.57 0.00 0.00 179.45 179.32 1u89 h LEU 856 N 0.89 0.02 -0.41 2.94 3.38 0.05 0.56 115.31 122.74 1u89 h LEU 856 Ca 0.30 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.08 1u89 h LEU 856 Cb 0.04 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1u89 h LEU 856 CO -0.12 0.04 -0.75 -0.07 0.09 0.00 0.00 178.44 177.64 1u89 h LEU 857 N -0.01 0.00 -0.64 1.67 3.38 -0.79 0.23 115.31 119.15 1u89 h LEU 857 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1u89 h LEU 857 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1u89 h LEU 857 CO -0.00 0.75 -0.64 0.28 0.09 0.00 0.00 178.44 178.92 1u89 h SER 858 N 0.00 0.19 -0.24 -0.43 0.02 -0.93 0.04 113.55 112.20 1u89 h SER 858 Ca -0.01 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 1u89 h SER 858 Cb 1.38 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 1u89 h SER 858 CO 0.10 0.78 -0.21 0.00 -1.14 0.00 0.00 176.83 176.35 1u89 h ALA 859 N 1.22 0.35 -0.20 3.77 0.00 -0.56 -2.73 119.26 121.12 1u89 h ALA 859 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1u89 h ALA 859 Cb 1.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1u89 h ALA 859 CO 0.09 0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.71 1u89 h ALA 860 N 0.69 1.73 -1.00 0.00 0.00 -0.86 -0.13 119.26 119.69 1u89 h ALA 860 Ca 0.04 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1u89 h ALA 860 Cb 0.75 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 1u89 h ALA 860 CO 0.05 0.21 0.66 -0.22 0.00 0.00 0.00 179.25 179.96 1u89 h LYS 861 N 0.28 1.31 -0.11 0.00 1.63 -0.74 -1.79 116.57 117.15 1u89 h LYS 861 Ca 0.07 -0.08 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 1u89 h LYS 861 Cb 0.09 -0.30 0.00 0.00 -0.60 0.00 0.00 32.23 31.43 1u89 h LYS 861 CO -0.01 0.87 -0.74 0.82 -3.45 0.00 0.00 179.45 176.94 1u89 h ILE 862 N 1.35 1.34 0.01 2.00 2.04 -0.94 -2.18 117.51 121.13 1u89 h ILE 862 Ca 0.37 -2.07 0.03 0.00 1.00 0.00 0.00 64.86 64.20 1u89 h ILE 862 Cb -0.13 2.05 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1u89 h ILE 862 CO -0.09 0.63 -0.38 -0.07 0.00 0.00 0.00 178.15 178.25 1u89 h LEU 863 N 0.38 -1.14 -0.43 1.44 -0.00 -0.41 0.33 115.31 115.49 1u89 h LEU 863 Ca -0.04 0.14 -0.13 0.00 -0.00 0.00 0.00 57.88 57.86 1u89 h LEU 863 Cb 1.34 0.45 -0.01 0.00 -0.00 0.00 0.00 40.66 42.43 1u89 h LEU 863 CO 0.14 -0.43 -0.22 0.00 -0.00 0.00 0.00 178.44 177.92 1u89 h ALA 864 N 0.07 0.60 0.16 1.53 0.00 -1.42 -2.37 119.26 117.83 1u89 h ALA 864 Ca 0.05 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1u89 h ALA 864 Cb 0.62 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1u89 h ALA 864 CO -0.29 0.59 -0.13 0.22 0.00 0.00 0.00 179.25 179.63 1u89 h ASP 865 N 0.73 -0.35 -0.55 0.00 3.58 -1.05 -0.05 116.42 118.72 1u89 h ASP 865 Ca 0.09 0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1u89 h ASP 865 Cb 0.79 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.93 1u89 h ASP 865 CO 0.07 -0.21 0.28 0.00 -2.88 0.00 0.00 179.24 176.50 1u89 h ALA 866 N 0.51 1.40 -0.20 -0.78 0.00 -0.38 -1.48 119.26 118.33 1u89 h ALA 866 Ca -0.00 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1u89 h ALA 866 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1u89 h ALA 866 CO -0.02 0.48 -0.36 1.15 0.00 0.00 0.00 179.25 180.50 1u89 h THR 867 N 0.82 1.29 -0.39 0.00 2.02 -0.94 0.24 112.91 115.96 1u89 h THR 867 Ca 0.20 -1.46 -0.11 0.00 0.77 0.00 0.00 66.41 65.81 1u89 h THR 867 Cb 0.09 1.54 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1u89 h THR 867 CO -0.03 0.45 -0.19 0.00 0.37 0.00 0.00 175.52 176.13 1u89 h ALA 868 N 1.26 0.55 -0.89 6.16 0.00 -0.35 0.39 119.26 126.38 1u89 h ALA 868 Ca 0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1u89 h ALA 868 Cb 0.80 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1u89 h ALA 868 CO 0.06 0.49 0.51 0.87 0.00 0.00 0.00 179.25 181.19 1u89 h LYS 869 N 0.62 1.22 0.20 0.00 6.56 -1.03 0.37 116.57 124.51 1u89 h LYS 869 Ca 0.09 -0.13 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 1u89 h LYS 869 Cb 0.74 -0.25 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1u89 h LYS 869 CO 0.06 0.88 -0.10 1.98 -2.06 0.00 0.00 179.45 180.20 1u89 h MET 870 N 1.23 -0.26 -0.42 3.15 4.05 -0.15 0.80 114.93 123.32 1u89 h MET 870 Ca 0.31 0.02 -0.05 0.00 -0.28 0.00 0.00 59.70 59.71 1u89 h MET 870 Cb -0.01 0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 1u89 h MET 870 CO -0.05 -0.07 0.07 -0.24 0.23 0.00 0.00 176.91 176.84 1u89 h VAL 871 N -0.40 1.20 -0.16 -5.77 3.04 -0.05 0.47 116.25 114.58 1u89 h VAL 871 Ca -0.03 -0.75 -0.16 0.00 -1.01 0.00 0.00 66.70 64.75 1u89 h VAL 871 Cb 0.31 0.81 0.01 0.00 -2.01 0.00 0.00 31.29 30.40 1u89 h VAL 871 CO 0.05 0.27 -0.53 -0.08 -1.01 0.00 0.00 177.57 176.27 1u89 h GLU 872 N 0.62 0.64 -0.38 4.17 4.57 -0.82 -2.88 114.58 120.50 1u89 h GLU 872 Ca 0.14 -0.48 -0.09 0.00 -1.18 0.00 0.00 59.36 57.76 1u89 h GLU 872 Cb 0.29 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.95 1u89 h GLU 872 CO 0.00 1.10 -0.10 0.00 -1.18 0.00 0.00 179.01 178.82 1u89 h ALA 873 N 0.54 0.52 -0.72 2.92 0.00 -0.48 -1.41 119.26 120.63 1u89 h ALA 873 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1u89 h ALA 873 Cb 1.16 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1u89 h ALA 873 CO 0.11 0.40 0.38 0.00 0.00 0.00 0.00 179.25 180.14 1u89 h ALA 874 N 0.83 0.93 -0.36 0.00 0.00 -0.97 0.16 119.26 119.85 1u89 h ALA 874 Ca 0.09 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 1u89 h ALA 874 Cb 0.63 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1u89 h ALA 874 CO 0.04 0.46 -0.41 0.87 0.00 0.00 0.00 179.25 180.21 1u89 h LYS 875 N 1.00 0.91 -0.53 0.00 1.57 -1.47 -3.15 116.57 114.90 1u89 h LYS 875 Ca 0.25 -0.49 -0.09 0.00 -1.87 0.00 0.00 60.65 58.45 1u89 h LYS 875 Cb 0.06 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1u89 h LYS 875 CO -0.04 1.14 -0.03 0.78 -0.57 0.00 0.00 179.45 180.73 1u89 h GLY 876 N 0.79 1.00 -0.68 3.86 0.00 -0.82 -2.79 103.07 104.43 1u89 h GLY 876 Ca 0.05 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.66 1u89 h GLY 876 CO 0.10 0.66 0.00 0.00 0.00 0.00 0.00 176.54 177.30 1u89 n ALA 877 N -2.48 2.49 0.19 3.60 0.00 0.01 -4.03 120.51 120.28 1u89 n ALA 877 Ca 0.02 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 1u89 n ALA 877 Cb 0.34 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 h ALA 878 N 3.28 -0.54 0.00 0.00 0.00 -1.45 -3.44 119.26 117.11 1u89 h ALA 878 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1u89 h ALA 878 Cb 0.26 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1u89 h ALA 878 CO 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 179.25 178.71 1u89 n ALA 879 N -2.66 0.00 -3.64 0.00 0.00 -1.26 -4.76 120.51 108.19 1u89 n ALA 879 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1u89 n ALA 879 Cb 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.00 -0.85 -1.01 0.00 5.65 -1.26 -4.66 115.29 111.15 1u89 s HIS 880 Ca 0.00 1.72 -0.12 0.00 0.25 0.00 0.00 55.06 56.91 1u89 s HIS 880 Cb 0.00 0.51 -0.08 0.00 -1.18 0.00 0.00 32.58 31.83 1u89 s HIS 880 CO 0.00 -0.42 2.17 -0.35 -0.65 0.00 0.00 174.74 175.49 1u89 n PRO 881 N 3.98 2.18 -2.39 2.88 -0.04 -1.26 -4.57 135.00 135.78 1u89 n PRO 881 Ca -0.19 -1.78 -0.29 0.00 -0.04 0.00 0.00 63.50 61.20 1u89 n PRO 881 Cb 0.58 -2.72 0.01 0.00 -0.04 0.00 0.00 33.50 31.33 1u89 n PRO 881 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1u89 n ASP 882 N 5.32 5.10 -2.57 3.54 8.00 -1.26 -5.03 116.55 129.65 1u89 n ASP 882 Ca 0.51 -3.74 -0.05 0.00 0.71 0.00 0.00 54.79 52.22 1u89 n ASP 882 Cb 0.25 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 1u89 n ASP 882 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1u89 n SER 883 N -0.50 1.17 -4.76 -2.24 3.41 -1.26 -5.09 113.62 104.36 1u89 n SER 883 Ca 0.41 -1.36 -0.38 0.00 -0.26 0.00 0.00 58.87 57.28 1u89 n SER 883 Cb 0.61 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.55 1u89 n SER 883 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1u89 s GLU 884 N -2.46 3.55 0.08 4.33 4.04 -1.26 -5.03 118.70 121.95 1u89 s GLU 884 Ca 0.07 2.08 0.04 0.00 0.04 0.00 0.00 54.97 57.20 1u89 s GLU 884 Cb -0.01 -2.43 -0.03 0.00 0.02 0.00 0.00 34.13 31.68 1u89 s GLU 884 CO 0.05 -0.81 -0.10 -1.83 -1.84 0.00 0.00 175.26 170.72 1u89 s GLU 885 N -2.67 0.79 0.00 -4.83 -1.05 -1.26 -4.93 118.70 104.75 1u89 s GLU 885 Ca 0.65 -1.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.41 1u89 s GLU 885 Cb -0.36 -0.52 0.00 0.00 -0.44 0.00 0.00 34.13 32.81 1u89 s GLU 885 CO 0.44 0.09 0.00 1.04 0.95 0.00 0.00 175.26 177.78 1u89 n GLN 886 N 0.80 0.00 -2.64 -4.83 1.13 -1.26 -4.80 117.38 105.78 1u89 n GLN 886 Ca -0.18 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.46 1u89 n GLN 886 Cb 0.57 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.89 1u89 n GLN 886 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1u89 s GLN 887 N 0.00 3.38 -0.35 -1.09 1.11 -1.26 -4.93 119.66 116.53 1u89 s GLN 887 Ca 0.00 -0.02 0.00 0.00 0.01 0.00 0.00 55.36 55.35 1u89 s GLN 887 Cb 0.00 -4.07 0.14 0.00 -1.01 0.00 0.00 33.01 28.07 1u89 s GLN 887 CO 0.00 -1.76 0.24 -0.65 0.01 0.00 0.00 175.29 173.13 1u89 s GLN 888 N 4.89 0.53 0.00 2.91 -1.52 -1.26 -5.05 119.66 120.16 1u89 s GLN 888 Ca 0.38 -1.13 0.03 0.00 -1.95 0.00 0.00 55.36 52.69 1u89 s GLN 888 Cb -0.09 -1.14 0.03 0.00 -0.22 0.00 0.00 33.01 31.58 1u89 s GLN 888 CO 0.21 -1.19 0.61 -2.13 -0.25 0.00 0.00 175.29 172.54