#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u89 h SER 752 N 0.00 0.63 0.00 1.61 0.02 -2.05 -3.42 113.55 110.34 1u89 h SER 752 Ca 0.00 -0.88 -0.06 0.00 -0.84 0.00 0.00 61.79 60.01 1u89 h SER 752 Cb 0.00 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.33 1u89 h SER 752 CO 0.00 1.46 -1.23 1.57 -1.14 0.00 0.00 176.83 177.49 1u89 n HIS 753 N -4.01 0.00 -4.08 3.45 -0.00 -1.26 -5.03 115.22 104.29 1u89 n HIS 753 Ca -0.14 0.00 -0.18 0.00 -0.00 0.00 0.00 57.72 57.41 1u89 n HIS 753 Cb 0.87 -0.16 -0.16 0.00 -0.00 0.00 0.00 29.99 30.55 1u89 n HIS 753 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 1u89 s MET 754 N -2.08 0.54 -0.29 1.57 1.75 -1.26 -5.11 119.30 114.41 1u89 s MET 754 Ca -0.04 -0.06 -0.28 0.00 -1.25 0.00 0.00 55.69 54.06 1u89 s MET 754 Cb 0.01 -0.60 0.01 0.00 2.84 0.00 0.00 34.83 37.10 1u89 s MET 754 CO 0.11 -0.05 1.02 -1.14 -0.65 0.00 0.00 175.02 174.31 1u89 s GLN 755 N 0.68 4.11 -0.76 4.11 2.00 -1.26 -4.55 119.66 123.99 1u89 s GLN 755 Ca -0.08 1.09 -0.09 0.00 -2.00 0.00 0.00 55.36 54.28 1u89 s GLN 755 Cb -0.11 -3.70 0.20 0.00 0.80 0.00 0.00 33.01 30.19 1u89 s GLN 755 CO -0.01 -0.78 0.65 0.00 -0.50 0.00 0.00 175.29 174.65 1u89 s ALA 756 N 3.41 3.91 -0.32 1.58 0.00 -1.26 -5.03 121.76 124.05 1u89 s ALA 756 Ca 0.43 -3.33 -0.29 0.00 0.00 0.00 0.00 51.96 48.77 1u89 s ALA 756 Cb -0.13 -3.18 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1u89 s ALA 756 CO 0.12 -2.21 1.25 0.00 0.00 0.00 0.00 175.76 174.91 1u89 s ALA 757 N 0.00 3.36 -1.20 0.00 0.00 -1.26 -4.93 121.76 117.73 1u89 s ALA 757 Ca 0.18 0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.94 1u89 s ALA 757 Cb -0.14 -3.77 -0.01 0.00 0.00 0.00 0.00 23.12 19.20 1u89 s ALA 757 CO -0.07 -1.78 1.82 0.95 0.00 0.00 0.00 175.76 176.68 1u89 s THR 758 N 4.28 3.79 0.15 0.00 -4.23 -1.26 -4.85 115.64 113.52 1u89 s THR 758 Ca 0.54 -1.26 -0.11 0.00 -1.18 0.00 0.00 61.69 59.67 1u89 s THR 758 Cb -0.15 -4.81 0.00 0.00 1.34 0.00 0.00 72.50 68.88 1u89 s THR 758 CO 0.23 -1.47 0.30 -0.70 -0.54 0.00 0.00 174.62 172.44 1u89 s GLU 759 N 5.51 1.10 0.00 3.99 -6.30 -1.26 -5.10 118.70 116.65 1u89 s GLU 759 Ca 0.61 -1.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.05 1u89 s GLU 759 Cb 0.01 0.40 0.00 0.00 0.00 0.00 0.00 34.13 34.53 1u89 s GLU 759 CO 0.08 -0.40 0.00 -3.47 0.02 0.00 0.00 175.26 171.49 1u89 n ASP 760 N -0.19 0.00 0.00 -1.70 -0.08 -1.26 -4.69 116.55 108.62 1u89 n ASP 760 Ca -0.10 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.18 1u89 n ASP 760 Cb 0.63 0.21 0.00 0.00 2.34 0.00 0.00 41.12 44.29 1u89 n ASP 760 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1u89 n GLY 761 N -1.20 0.00 0.00 0.27 0.00 -1.26 -0.92 105.19 102.07 1u89 n GLY 761 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1u89 n GLY 761 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u89 n GLN 762 N 0.00 1.61 0.18 1.61 10.64 -1.26 -4.48 117.38 125.68 1u89 n GLN 762 Ca 0.00 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.10 1u89 n GLN 762 Cb 0.00 -0.85 -0.03 0.00 -0.86 0.00 0.00 30.24 28.49 1u89 n GLN 762 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 1u89 h LEU 763 N 0.00 -0.40 -0.34 2.61 -0.00 -1.89 -0.83 115.31 114.47 1u89 h LEU 763 Ca 0.00 0.01 -0.03 0.00 -0.00 0.00 0.00 57.88 57.87 1u89 h LEU 763 Cb 0.00 0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.76 1u89 h LEU 763 CO 0.00 -0.20 -0.13 -0.07 -0.00 0.00 0.00 178.44 178.04 1u89 h LEU 764 N -0.64 0.00 0.55 1.67 -0.00 -1.68 -0.84 115.31 114.37 1u89 h LEU 764 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 1u89 h LEU 764 Cb 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1u89 h LEU 764 CO 0.08 0.13 -0.26 -0.09 -0.00 0.00 0.00 178.44 178.30 1u89 h ARG 765 N 0.00 -0.71 0.00 1.13 9.65 -1.08 -3.15 114.38 120.22 1u89 h ARG 765 Ca -0.00 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1u89 h ARG 765 Cb 0.98 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.72 1u89 h ARG 765 CO 0.02 -0.42 -0.41 0.78 2.80 0.00 0.00 179.97 182.74 1u89 h GLY 766 N -1.11 0.00 1.01 2.80 0.00 -1.21 -3.31 103.07 101.24 1u89 h GLY 766 Ca -0.07 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1u89 h GLY 766 CO 0.12 0.00 0.43 -2.08 0.00 0.00 0.00 176.54 175.02 1u89 h VAL 767 N -0.86 1.21 -0.04 4.60 2.07 -1.29 -1.32 116.25 120.62 1u89 h VAL 767 Ca 0.00 -0.47 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1u89 h VAL 767 Cb 0.41 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1u89 h VAL 767 CO 0.00 0.22 -0.09 1.23 0.02 0.00 0.00 177.57 178.95 1u89 h GLY 768 N 0.99 -0.06 0.91 2.17 0.00 -1.16 0.29 103.07 106.21 1u89 h GLY 768 Ca 0.26 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1u89 h GLY 768 CO -0.05 -0.10 0.11 0.00 0.00 0.00 0.00 176.54 176.50 1u89 h ALA 769 N 0.89 0.42 -0.48 3.60 0.00 -1.51 -1.55 119.26 120.63 1u89 h ALA 769 Ca 0.05 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1u89 h ALA 769 Cb 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1u89 h ALA 769 CO -0.12 0.05 0.14 0.00 0.00 0.00 0.00 179.25 179.31 1u89 h ALA 770 N 0.95 0.63 -0.56 0.00 0.00 -1.04 -1.09 119.26 118.14 1u89 h ALA 770 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1u89 h ALA 770 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1u89 h ALA 770 CO -0.01 0.30 0.19 0.00 0.00 0.00 0.00 179.25 179.73 1u89 h ALA 771 N 1.00 0.73 -0.50 0.00 0.00 -0.34 -2.01 119.26 118.13 1u89 h ALA 771 Ca 0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1u89 h ALA 771 Cb 0.29 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1u89 h ALA 771 CO -0.00 0.37 0.17 1.15 0.00 0.00 0.00 179.25 180.94 1u89 h THR 772 N 0.77 1.20 -0.41 0.00 2.02 -1.10 -1.15 112.91 114.24 1u89 h THR 772 Ca 0.18 -0.65 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1u89 h THR 772 Cb 0.26 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1u89 h THR 772 CO -0.01 0.25 0.22 0.00 0.37 0.00 0.00 175.52 176.35 1u89 h ALA 773 N 1.47 0.53 -0.44 6.16 0.00 -0.63 0.17 119.26 126.52 1u89 h ALA 773 Ca 0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1u89 h ALA 773 Cb 0.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u89 h ALA 773 CO -0.01 0.06 0.16 0.28 0.00 0.00 0.00 179.25 179.74 1u89 h VAL 774 N 0.53 1.21 -0.62 0.00 2.07 -1.01 0.11 116.25 118.54 1u89 h VAL 774 Ca 0.14 -0.66 0.04 0.00 0.82 0.00 0.00 66.70 67.05 1u89 h VAL 774 Cb 0.07 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 1u89 h VAL 774 CO -0.02 0.24 0.36 0.74 0.02 0.00 0.00 177.57 178.91 1u89 h THR 775 N 0.57 1.02 -0.07 2.57 2.02 -0.90 0.18 112.91 118.29 1u89 h THR 775 Ca 0.15 -0.24 -0.20 0.00 0.77 0.00 0.00 66.41 66.89 1u89 h THR 775 Cb 0.21 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 1u89 h THR 775 CO -0.01 0.13 -0.78 1.56 0.37 0.00 0.00 175.52 176.79 1u89 h GLN 776 N 0.69 0.46 -0.69 6.66 7.50 -0.77 -1.69 115.11 127.27 1u89 h GLN 776 Ca 0.26 -0.39 -0.06 0.00 0.50 0.00 0.00 58.65 58.96 1u89 h GLN 776 Cb 0.10 0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.69 1u89 h GLN 776 CO -0.14 1.03 0.18 0.00 -1.50 0.00 0.00 178.83 178.41 1u89 h ALA 777 N 0.85 1.02 -0.40 3.87 0.00 -0.36 0.91 119.26 125.15 1u89 h ALA 777 Ca -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1u89 h ALA 777 Cb 1.37 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1u89 h ALA 777 CO 0.14 0.65 0.22 1.25 0.00 0.00 0.00 179.25 181.50 1u89 h LEU 778 N 1.03 0.49 -0.35 0.00 5.85 -0.53 0.44 115.31 122.24 1u89 h LEU 778 Ca 0.22 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.89 1u89 h LEU 778 Cb 0.34 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1u89 h LEU 778 CO -0.00 0.44 0.12 0.78 -0.34 0.00 0.00 178.44 179.43 1u89 h ASN 779 N 0.51 0.12 0.62 1.25 2.35 -0.88 -0.36 115.58 119.19 1u89 h ASN 779 Ca 0.14 0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.90 1u89 h ASN 779 Cb 0.05 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 1u89 h ASN 779 CO -0.02 0.10 -0.35 -0.08 -1.65 0.00 0.00 177.43 175.43 1u89 h GLU 780 N 0.26 -0.87 -0.52 0.81 4.22 -0.49 -2.60 114.58 115.38 1u89 h GLU 780 Ca 0.16 0.06 -0.01 0.00 0.08 0.00 0.00 59.36 59.65 1u89 h GLU 780 Cb 0.14 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1u89 h GLU 780 CO -0.17 -0.58 0.28 1.25 -2.18 0.00 0.00 179.01 177.60 1u89 h LEU 781 N -0.91 0.66 -0.62 1.64 5.85 -0.80 0.78 115.31 121.92 1u89 h LEU 781 Ca -0.08 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1u89 h LEU 781 Cb 0.72 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1u89 h LEU 781 CO 0.10 0.57 0.39 -0.07 -0.34 0.00 0.00 178.44 179.09 1u89 h LEU 782 N 0.69 0.72 -0.25 2.25 3.38 -1.05 0.33 115.31 121.39 1u89 h LEU 782 Ca 0.18 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1u89 h LEU 782 Cb 0.06 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.63 1u89 h LEU 782 CO -0.03 0.54 -0.22 1.56 0.09 0.00 0.00 178.44 180.38 1u89 h GLN 783 N 0.84 0.59 -0.66 1.13 4.20 -1.27 -2.17 115.11 117.77 1u89 h GLN 783 Ca 0.22 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1u89 h GLN 783 Cb -0.07 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1u89 h GLN 783 CO -0.05 0.90 0.42 1.25 -0.67 0.00 0.00 178.83 180.68 1u89 h HIS 784 N 0.30 0.86 0.12 2.96 2.76 -0.27 -1.48 115.15 120.40 1u89 h HIS 784 Ca 0.04 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1u89 h HIS 784 Cb 0.78 -0.29 0.00 0.00 1.55 0.00 0.00 27.41 29.45 1u89 h HIS 784 CO 0.07 0.56 -0.06 0.28 -1.30 0.00 0.00 177.93 177.49 1u89 h VAL 785 N 0.90 1.04 0.00 5.26 2.07 -0.39 -3.03 116.25 122.10 1u89 h VAL 785 Ca 0.24 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 1u89 h VAL 785 Cb -0.06 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1u89 h VAL 785 CO -0.05 0.26 -0.05 0.11 0.02 0.00 0.00 177.57 177.86 1u89 h LYS 786 N -0.77 0.00 -0.36 1.57 1.57 -1.35 0.12 116.57 117.34 1u89 h LYS 786 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1u89 h LYS 786 Cb 0.55 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 1u89 h LYS 786 CO 0.03 0.05 0.03 0.00 -0.57 0.00 0.00 179.45 178.99 1u89 n ALA 787 N -2.20 3.57 0.00 3.86 0.00 -0.56 -4.41 120.51 120.77 1u89 n ALA 787 Ca -0.02 -2.53 0.00 0.00 0.00 0.00 0.00 53.44 50.89 1u89 n ALA 787 Cb 0.19 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 -0.62 -0.59 -0.10 0.00 8.25 -0.64 -4.92 115.22 116.60 1u89 n HIS 788 Ca 0.27 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.63 1u89 n HIS 788 Cb 1.01 0.44 -0.04 0.00 1.12 0.00 0.00 29.99 32.52 1u89 n HIS 788 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u89 h ALA 789 N 0.00 0.38 -2.44 -1.41 0.00 -1.02 -3.37 119.26 111.40 1u89 h ALA 789 Ca 0.00 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 54.16 1u89 h ALA 789 Cb 0.00 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.71 1u89 h ALA 789 CO 0.00 0.11 1.06 0.99 0.00 0.00 0.00 179.25 181.41 1u89 s THR 790 N -5.04 2.95 0.00 0.00 2.01 -1.25 -1.94 115.64 112.38 1u89 s THR 790 Ca -0.13 0.35 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1u89 s THR 790 Cb 0.08 -3.23 0.00 0.00 0.01 0.00 0.00 72.50 69.37 1u89 s THR 790 CO 0.75 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.29 1u89 n GLY 791 N 4.12 2.49 0.08 4.40 0.00 -1.26 -4.85 105.19 110.16 1u89 n GLY 791 Ca 0.17 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1u89 n GLY 791 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u89 h ALA 792 N 0.00 0.09 -3.00 4.61 0.00 -1.56 -3.50 119.26 115.90 1u89 h ALA 792 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1u89 h ALA 792 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1u89 h ALA 792 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1u89 n GLY 793 N 1.58 5.48 0.24 0.00 0.00 -0.90 -4.96 105.19 106.63 1u89 n GLY 793 Ca -0.15 -1.39 0.17 0.00 0.00 0.00 0.00 46.02 44.64 1u89 n GLY 793 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1u89 h PRO 794 N 0.00 0.00 -4.65 1.61 0.11 -1.97 -3.43 132.00 123.68 1u89 h PRO 794 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1u89 h PRO 794 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 1u89 h PRO 794 CO 0.00 0.00 -0.86 0.00 -0.21 0.00 0.00 178.00 176.93 1u89 n ALA 795 N -1.98 -3.42 -1.66 -0.75 0.00 -1.26 -4.87 120.51 106.56 1u89 n ALA 795 Ca 0.00 0.64 -0.44 0.00 0.00 0.00 0.00 53.44 53.64 1u89 n ALA 795 Cb 0.21 -1.27 -0.04 0.00 0.00 0.00 0.00 19.45 18.36 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 0.68 1.68 3.56 0.00 0.00 -1.26 -4.94 105.19 104.90 1u89 n GLY 796 Ca -0.05 0.84 -0.37 0.00 0.00 0.00 0.00 46.02 46.43 1u89 n GLY 796 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1u89 s ARG 797 N 4.47 3.89 -0.18 1.61 3.52 -1.26 -4.92 118.95 126.08 1u89 s ARG 797 Ca 0.91 -0.36 0.13 0.00 -0.13 0.00 0.00 55.73 56.29 1u89 s ARG 797 Cb -0.52 -3.55 0.41 0.00 -1.56 0.00 0.00 34.95 29.73 1u89 s ARG 797 CO 0.45 -0.14 1.21 0.66 -0.81 0.00 0.00 175.30 176.66 1u89 n TYR 798 N 4.90 0.00 -0.29 5.12 4.02 -1.26 -4.83 117.16 124.82 1u89 n TYR 798 Ca -0.15 -1.35 -0.00 0.00 -0.01 0.00 0.00 57.90 56.39 1u89 n TYR 798 Cb 0.52 -0.23 0.12 0.00 -0.02 0.00 0.00 39.34 39.73 1u89 n TYR 798 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 176.86 176.07 1u89 h ASP 799 N 0.92 0.77 -0.36 7.72 3.58 -2.00 -0.85 116.42 126.21 1u89 h ASP 799 Ca -0.02 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 1u89 h ASP 799 Cb 1.10 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 1u89 h ASP 799 CO 0.01 0.50 0.11 1.56 -2.88 0.00 0.00 179.24 178.54 1u89 h GLN 800 N 0.91 0.56 -0.50 0.28 1.08 -1.99 -1.69 115.11 113.74 1u89 h GLN 800 Ca 0.35 -0.12 0.02 0.00 -1.45 0.00 0.00 58.65 57.45 1u89 h GLN 800 Cb 0.15 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.47 1u89 h GLN 800 CO -0.16 0.58 0.30 0.00 -0.95 0.00 0.00 178.83 178.60 1u89 h ALA 801 N 0.95 0.64 -0.58 3.87 0.00 -1.68 0.04 119.26 122.50 1u89 h ALA 801 Ca 0.11 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1u89 h ALA 801 Cb 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1u89 h ALA 801 CO -0.00 0.01 0.19 1.79 0.00 0.00 0.00 179.25 181.24 1u89 h THR 802 N 0.61 1.22 -0.40 0.00 1.35 -1.09 -1.48 112.91 113.11 1u89 h THR 802 Ca 0.20 -0.75 -0.02 0.00 -0.55 0.00 0.00 66.41 65.29 1u89 h THR 802 Cb 0.01 0.57 -0.02 0.00 -1.73 0.00 0.00 68.15 66.99 1u89 h THR 802 CO -0.09 0.29 0.17 -0.78 -0.25 0.00 0.00 175.52 174.86 1u89 h ASP 803 N 0.85 0.55 -0.70 5.36 3.58 -0.39 -0.76 116.42 124.91 1u89 h ASP 803 Ca 0.19 -0.16 0.01 0.00 0.42 0.00 0.00 57.03 57.49 1u89 h ASP 803 Cb 0.23 -0.14 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1u89 h ASP 803 CO -0.01 0.56 0.46 0.74 -2.88 0.00 0.00 179.24 178.11 1u89 h THR 804 N 0.51 1.18 0.70 2.25 2.02 -0.63 -0.33 112.91 118.61 1u89 h THR 804 Ca 0.14 -0.34 -0.03 0.00 0.77 0.00 0.00 66.41 66.94 1u89 h THR 804 Cb 0.17 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1u89 h THR 804 CO -0.01 0.18 -0.34 0.40 0.37 0.00 0.00 175.52 176.12 1u89 h ILE 805 N 0.95 0.28 -0.97 3.11 2.04 -1.00 -1.43 117.51 120.49 1u89 h ILE 805 Ca 0.26 -0.09 0.11 0.00 1.00 0.00 0.00 64.86 66.13 1u89 h ILE 805 Cb -0.10 0.31 -0.08 0.00 -0.74 0.00 0.00 36.82 36.21 1u89 h ILE 805 CO -0.05 0.01 0.60 0.25 0.00 0.00 0.00 178.15 178.96 1u89 h LEU 806 N -1.01 0.89 -0.87 1.44 6.46 -1.03 1.00 115.31 122.19 1u89 h LEU 806 Ca -0.10 0.04 0.02 0.00 -0.12 0.00 0.00 57.88 57.73 1u89 h LEU 806 Cb 0.74 -0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.48 1u89 h LEU 806 CO 0.16 0.50 0.57 0.74 -0.62 0.00 0.00 178.44 179.78 1u89 h THR 807 N 0.98 1.17 -0.30 1.05 2.02 -0.92 0.20 112.91 117.11 1u89 h THR 807 Ca 0.47 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 67.25 1u89 h THR 807 Cb 0.41 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.76 1u89 h THR 807 CO -0.25 0.21 0.13 0.58 0.37 0.00 0.00 175.52 176.56 1u89 h VAL 808 N 1.12 1.17 -0.57 3.16 2.07 0.25 0.25 116.25 123.70 1u89 h VAL 808 Ca 0.34 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1u89 h VAL 808 Cb -0.05 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1u89 h VAL 808 CO -0.10 0.18 0.23 0.74 0.02 0.00 0.00 177.57 178.64 1u89 h THR 809 N 0.33 1.22 -0.62 2.57 2.02 -0.58 0.26 112.91 118.12 1u89 h THR 809 Ca 0.10 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.56 1u89 h THR 809 Cb 0.16 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1u89 h THR 809 CO -0.01 0.27 0.23 -0.08 0.37 0.00 0.00 175.52 176.30 1u89 h GLU 810 N 0.78 0.91 -0.23 6.66 4.22 -0.45 -0.85 114.58 125.62 1u89 h GLU 810 Ca 0.19 -0.15 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 1u89 h GLU 810 Cb 0.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1u89 h GLU 810 CO -0.02 0.76 0.13 -0.91 -2.18 0.00 0.00 179.01 176.79 1u89 h ASN 811 N 0.90 0.29 -0.73 1.04 2.35 0.26 -1.33 115.58 118.35 1u89 h ASN 811 Ca 0.21 -0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.90 1u89 h ASN 811 Cb 0.20 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1u89 h ASN 811 CO -0.02 0.29 0.47 0.40 -1.65 0.00 0.00 177.43 176.92 1u89 h ILE 812 N 0.27 1.12 -0.92 2.81 2.04 -0.57 -0.55 117.51 121.71 1u89 h ILE 812 Ca 0.08 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.66 1u89 h ILE 812 Cb 0.06 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.20 1u89 h ILE 812 CO -0.01 0.17 0.61 -0.26 0.00 0.00 0.00 178.15 178.65 1u89 h PHE 813 N 0.93 1.13 -0.03 1.37 0.04 -0.84 -0.25 116.94 119.29 1u89 h PHE 813 Ca 0.29 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1u89 h PHE 813 Cb -0.02 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 37.76 1u89 h PHE 813 CO -0.03 0.66 0.00 0.43 -0.60 0.00 0.00 178.31 178.76 1u89 n SER 814 N -4.44 0.87 -0.60 2.17 7.64 -0.53 -3.47 113.62 115.26 1u89 n SER 814 Ca 0.12 -1.35 0.05 0.00 1.01 0.00 0.00 58.87 58.70 1u89 n SER 814 Cb 0.09 -0.01 0.10 0.00 -1.01 0.00 0.00 64.21 63.38 1u89 n SER 814 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1u89 n SER 815 N -0.29 1.33 -4.58 6.43 7.64 -0.25 -5.04 113.62 118.86 1u89 n SER 815 Ca 0.20 -2.80 -0.40 0.00 1.01 0.00 0.00 58.87 56.88 1u89 n SER 815 Cb 0.24 -0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.04 1u89 n SER 815 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1u89 s MET 816 N -1.67 2.71 0.00 1.43 -1.94 -0.35 -0.99 119.30 118.49 1u89 s MET 816 Ca 0.26 1.55 0.00 0.00 -1.71 0.00 0.00 55.69 55.79 1u89 s MET 816 Cb 0.26 -4.43 0.00 0.00 2.01 0.00 0.00 34.83 32.66 1u89 s MET 816 CO -0.04 -2.59 0.00 0.41 -0.01 0.00 0.00 175.02 172.78 1u89 n GLY 817 N 5.80 2.81 3.52 -0.03 0.00 -1.26 -5.03 105.19 111.00 1u89 n GLY 817 Ca 0.30 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.19 6.74 0.27 1.61 2.15 -0.16 -4.84 116.67 122.24 1u89 s ASP 818 Ca 0.00 -2.17 -0.00 0.00 0.43 0.00 0.00 52.55 50.81 1u89 s ASP 818 Cb 0.00 -2.50 0.56 0.00 -0.30 0.00 0.00 42.92 40.67 1u89 s ASP 818 CO 0.00 -1.16 1.77 0.00 -0.17 0.00 0.00 175.17 175.60 1u89 h ALA 819 N 8.44 1.33 -0.47 3.66 0.00 -1.83 0.13 119.26 130.53 1u89 h ALA 819 Ca 0.28 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.31 1u89 h ALA 819 Cb 0.95 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1u89 h ALA 819 CO 1.33 -0.07 0.26 0.78 0.00 0.00 0.00 179.25 181.54 1u89 h GLY 820 N 0.65 0.65 1.03 0.00 0.00 -1.94 0.25 103.07 103.71 1u89 h GLY 820 Ca 0.48 -0.19 -0.16 0.00 0.00 0.00 0.00 47.33 47.46 1u89 h GLY 820 CO -0.36 0.14 -0.50 -2.09 0.00 0.00 0.00 176.54 173.73 1u89 h GLU 821 N 0.51 0.72 0.08 4.80 4.57 -1.66 -1.55 114.58 122.06 1u89 h GLU 821 Ca 0.19 -0.49 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1u89 h GLU 821 Cb 0.06 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1u89 h GLU 821 CO -0.11 1.11 -0.09 0.52 -1.18 0.00 0.00 179.01 179.26 1u89 h MET 822 N 0.44 -0.19 -0.39 1.92 2.86 -0.40 0.66 114.93 119.84 1u89 h MET 822 Ca -0.00 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.56 1u89 h MET 822 Cb 1.11 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.80 1u89 h MET 822 CO 0.11 -0.13 -0.13 0.28 1.06 0.00 0.00 176.91 178.10 1u89 h VAL 823 N -0.20 1.25 0.09 -2.22 2.07 -0.57 0.21 116.25 116.88 1u89 h VAL 823 Ca 0.01 -1.15 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1u89 h VAL 823 Cb 0.20 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1u89 h VAL 823 CO -0.03 0.39 -0.20 -0.09 0.02 0.00 0.00 177.57 177.65 1u89 h ARG 824 N 0.62 -0.36 -0.50 1.57 1.12 -0.81 0.10 114.38 116.13 1u89 h ARG 824 Ca 0.11 0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 58.91 1u89 h ARG 824 Cb 0.58 0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.60 1u89 h ARG 824 CO 0.04 -0.24 -0.04 1.96 -3.11 0.00 0.00 179.97 178.58 1u89 h GLN 825 N -0.37 0.91 -0.64 0.20 1.08 -0.66 -2.68 115.11 112.94 1u89 h GLN 825 Ca 0.03 -0.31 0.02 0.00 -1.45 0.00 0.00 58.65 56.94 1u89 h GLN 825 Cb 0.40 -0.07 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 1u89 h GLN 825 CO -0.12 0.95 0.43 0.00 -0.95 0.00 0.00 178.83 179.14 1u89 h ALA 826 N 0.92 1.59 -0.55 3.87 0.00 -0.29 0.40 119.26 125.21 1u89 h ALA 826 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 826 Cb 0.57 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1u89 h ALA 826 CO 0.03 0.36 -0.09 0.00 0.00 0.00 0.00 179.25 179.55 1u89 h ARG 827 N 0.82 1.01 -0.60 0.00 3.08 -0.60 0.27 114.38 118.37 1u89 h ARG 827 Ca 0.25 -0.36 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1u89 h ARG 827 Cb -0.01 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1u89 h ARG 827 CO -0.06 1.04 0.10 0.82 -1.07 0.00 0.00 179.97 180.80 1u89 h ILE 828 N 0.90 1.26 -0.25 2.04 2.04 -0.89 -2.56 117.51 120.05 1u89 h ILE 828 Ca 0.15 -0.99 0.03 0.00 1.00 0.00 0.00 64.86 65.05 1u89 h ILE 828 Cb 0.64 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1u89 h ILE 828 CO 0.04 0.36 0.06 0.25 0.00 0.00 0.00 178.15 178.87 1u89 h LEU 829 N 0.89 0.04 -0.97 1.44 5.85 0.16 0.31 115.31 123.03 1u89 h LEU 829 Ca 0.18 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.98 1u89 h LEU 829 Cb 0.42 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1u89 h LEU 829 CO 0.01 0.06 0.63 0.00 -0.34 0.00 0.00 178.44 178.80 1u89 h ALA 830 N 1.17 1.29 -0.12 1.25 0.00 -0.85 -0.06 119.26 121.94 1u89 h ALA 830 Ca 0.11 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1u89 h ALA 830 Cb 0.10 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 1u89 h ALA 830 CO -0.14 0.51 -0.20 0.37 0.00 0.00 0.00 179.25 179.79 1u89 h GLN 831 N 1.22 0.35 -0.25 0.00 -0.00 -1.00 -2.63 115.11 112.81 1u89 h GLN 831 Ca 0.39 -0.22 -0.01 0.00 -0.00 0.00 0.00 58.65 58.81 1u89 h GLN 831 Cb 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.51 1u89 h GLN 831 CO -0.13 0.80 0.11 0.00 0.00 0.00 0.00 178.83 179.61 1u89 h ALA 832 N 0.55 0.32 -0.08 3.38 0.00 0.03 -2.48 119.26 120.98 1u89 h ALA 832 Ca 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1u89 h ALA 832 Cb 0.77 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1u89 h ALA 832 CO 0.05 -0.10 -0.27 1.15 0.00 0.00 0.00 179.25 180.08 1u89 h THR 833 N 0.26 1.23 -0.55 0.00 2.02 -1.11 -0.99 112.91 113.77 1u89 h THR 833 Ca 0.08 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.18 1u89 h THR 833 Cb 0.15 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1u89 h THR 833 CO -0.01 0.32 0.36 0.28 0.37 0.00 0.00 175.52 176.84 1u89 h SER 834 N 0.13 0.61 -0.24 4.18 0.02 -1.07 0.19 113.55 117.38 1u89 h SER 834 Ca 0.02 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1u89 h SER 834 Cb 0.56 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1u89 h SER 834 CO 0.04 0.44 0.04 -0.78 -1.14 0.00 0.00 176.83 175.43 1u89 h ASP 835 N 0.73 0.39 0.01 3.07 3.58 -1.02 -1.58 116.42 121.60 1u89 h ASP 835 Ca 0.21 -0.26 0.02 0.00 0.42 0.00 0.00 57.03 57.42 1u89 h ASP 835 Cb -0.06 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 1u89 h ASP 835 CO -0.06 0.55 -0.14 0.25 -2.88 0.00 0.00 179.24 176.97 1u89 h LEU 836 N 0.21 -0.40 -0.50 2.28 5.85 -0.81 -0.63 115.31 121.31 1u89 h LEU 836 Ca 0.07 0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 1u89 h LEU 836 Cb 0.33 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1u89 h LEU 836 CO 0.01 -0.20 -0.14 0.58 -0.34 0.00 0.00 178.44 178.35 1u89 h VAL 837 N -0.24 1.27 -0.69 1.05 2.07 -0.62 -2.00 116.25 117.09 1u89 h VAL 837 Ca 0.04 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.23 1u89 h VAL 837 Cb 0.29 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1u89 h VAL 837 CO -0.13 0.45 0.24 -1.13 0.02 0.00 0.00 177.57 177.02 1u89 h ASN 838 N 0.84 0.96 -0.15 0.57 -1.24 -1.13 0.19 115.58 115.63 1u89 h ASN 838 Ca 0.13 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 56.97 1u89 h ASN 838 Cb 0.71 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.50 1u89 h ASN 838 CO 0.05 0.88 0.07 0.00 -1.29 0.00 0.00 177.43 177.14 1u89 h ALA 839 N 1.25 0.19 -0.46 1.57 0.00 -0.84 -1.45 119.26 119.53 1u89 h ALA 839 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1u89 h ALA 839 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1u89 h ALA 839 CO -0.01 -0.24 0.20 0.82 0.00 0.00 0.00 179.25 180.02 1u89 h ILE 840 N 0.11 1.19 -0.50 0.00 2.04 -1.07 -1.16 117.51 118.13 1u89 h ILE 840 Ca 0.05 -0.57 0.08 0.00 1.00 0.00 0.00 64.86 65.41 1u89 h ILE 840 Cb 0.14 0.73 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 1u89 h ILE 840 CO -0.01 0.22 0.14 0.11 0.00 0.00 0.00 178.15 178.61 1u89 h LYS 841 N 0.59 0.28 -0.24 2.37 1.79 -0.46 0.35 116.57 121.25 1u89 h LYS 841 Ca 0.15 -0.02 -0.16 0.00 -2.18 0.00 0.00 60.65 58.44 1u89 h LYS 841 Cb 0.15 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 1u89 h LYS 841 CO -0.02 0.19 -0.51 0.00 -1.08 0.00 0.00 179.45 178.03 1u89 h ALA 842 N 1.36 0.65 -0.07 3.86 0.00 -1.09 -2.21 119.26 121.76 1u89 h ALA 842 Ca 0.24 -0.50 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 1u89 h ALA 842 Cb 0.30 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1u89 h ALA 842 CO -0.28 0.68 -0.89 0.22 0.00 0.00 0.00 179.25 178.98 1u89 h ASP 843 N 0.54 0.80 0.65 0.00 3.58 -0.60 -3.15 116.42 118.23 1u89 h ASP 843 Ca 0.02 -0.58 -0.12 0.00 0.42 0.00 0.00 57.03 56.77 1u89 h ASP 843 Cb 1.07 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.86 1u89 h ASP 843 CO 0.10 1.37 -0.56 0.00 -2.88 0.00 0.00 179.24 177.28 1u89 h ALA 844 N 0.59 1.01 -0.78 -0.78 0.00 -0.36 -3.37 119.26 115.56 1u89 h ALA 844 Ca -0.08 -0.51 -0.35 0.00 0.00 0.00 0.00 54.91 53.97 1u89 h ALA 844 Cb 1.52 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.16 1u89 h ALA 844 CO 0.17 0.69 0.90 -2.00 0.00 0.00 0.00 179.25 179.01 1u89 s GLU 845 N -3.64 2.76 0.00 0.00 2.56 -0.83 -1.80 118.70 117.74 1u89 s GLU 845 Ca -0.01 -0.48 0.00 0.00 0.00 0.00 0.00 54.97 54.48 1u89 s GLU 845 Cb 0.12 -5.13 0.00 0.00 2.00 0.00 0.00 34.13 31.13 1u89 s GLU 845 CO 0.75 -3.17 0.00 0.41 -0.56 0.00 0.00 175.26 172.69 1u89 n GLY 846 N 6.82 1.99 3.72 -1.50 0.00 -1.26 -4.94 105.19 110.03 1u89 n GLY 846 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.11 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 0.00 1.36 0.05 1.61 -6.30 -0.74 -4.98 118.70 109.70 1u89 s GLU 847 Ca 0.00 0.86 -0.01 0.00 -2.50 0.00 0.00 54.97 53.32 1u89 s GLU 847 Cb 0.00 -1.82 -0.26 0.00 0.00 0.00 0.00 34.13 32.05 1u89 s GLU 847 CO 0.00 -2.18 1.02 0.77 0.02 0.00 0.00 175.26 174.89 1u89 h SER 848 N -1.51 0.31 -3.60 -1.70 0.02 -1.92 -3.42 113.55 101.72 1u89 h SER 848 Ca -0.49 -0.38 -0.68 0.00 -0.84 0.00 0.00 61.79 59.41 1u89 h SER 848 Cb 1.28 -0.10 -0.26 0.00 0.14 0.00 0.00 62.40 63.46 1u89 h SER 848 CO 0.54 1.31 -0.62 -0.62 -1.14 0.00 0.00 176.83 176.30 1u89 s ASP 849 N -6.93 5.12 0.25 3.07 2.15 -1.26 -4.98 116.67 114.09 1u89 s ASP 849 Ca -0.05 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.24 1u89 s ASP 849 Cb 0.08 -1.88 0.32 0.00 -0.30 0.00 0.00 42.92 41.13 1u89 s ASP 849 CO 0.86 -0.18 1.67 -0.07 -0.17 0.00 0.00 175.17 177.27 1u89 h LEU 850 N 8.23 0.56 -0.04 -1.34 3.38 -1.98 -1.63 115.31 122.50 1u89 h LEU 850 Ca -0.32 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 1u89 h LEU 850 Cb 1.13 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1u89 h LEU 850 CO 0.60 0.83 0.02 -0.08 0.09 0.00 0.00 178.44 179.90 1u89 h GLU 851 N 0.48 0.06 -0.70 1.13 4.57 -1.99 -1.54 114.58 116.60 1u89 h GLU 851 Ca 0.06 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.21 1u89 h GLU 851 Cb 0.74 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.29 1u89 h GLU 851 CO 0.06 0.18 0.35 -0.97 -1.18 0.00 0.00 179.01 177.44 1u89 h ASN 852 N -0.07 0.90 -0.80 1.04 -1.24 -1.97 -2.26 115.58 111.18 1u89 h ASN 852 Ca 0.01 -0.12 0.02 0.00 0.71 0.00 0.00 56.30 56.92 1u89 h ASN 852 Cb 0.14 -0.23 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 1u89 h ASN 852 CO -0.00 0.77 0.53 0.77 -1.29 0.00 0.00 177.43 178.21 1u89 h SER 853 N 0.97 0.90 -0.23 1.15 4.64 -1.07 0.79 113.55 120.70 1u89 h SER 853 Ca 0.24 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.51 1u89 h SER 853 Cb 0.09 -0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1u89 h SER 853 CO -0.03 0.64 0.02 0.03 -0.87 0.00 0.00 176.83 176.62 1u89 h ARG 854 N 1.06 0.38 -0.92 4.77 3.08 -0.83 -2.64 114.38 119.28 1u89 h ARG 854 Ca 0.30 -0.11 0.06 0.00 0.07 0.00 0.00 59.98 60.30 1u89 h ARG 854 Cb -0.08 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 29.87 1u89 h ARG 854 CO -0.07 0.54 0.60 0.87 -1.07 0.00 0.00 179.97 180.84 1u89 h LYS 855 N 0.17 1.02 -0.23 0.04 1.79 -0.84 -2.45 116.57 116.08 1u89 h LYS 855 Ca 0.07 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1u89 h LYS 855 Cb 0.35 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 30.73 1u89 h LYS 855 CO 0.01 0.67 -0.03 -0.07 -1.08 0.00 0.00 179.45 178.95 1u89 h LEU 856 N 1.05 -0.15 -0.55 2.94 3.38 -0.52 -1.77 115.31 119.69 1u89 h LEU 856 Ca 0.40 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.36 1u89 h LEU 856 Cb 0.19 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1u89 h LEU 856 CO -0.15 -0.05 -0.29 -0.07 0.09 0.00 0.00 178.44 177.97 1u89 h LEU 857 N 0.03 0.00 -0.35 1.67 3.38 -1.17 -1.31 115.31 117.57 1u89 h LEU 857 Ca 0.11 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 1u89 h LEU 857 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1u89 h LEU 857 CO -0.21 0.29 -0.07 0.28 0.09 0.00 0.00 178.44 178.82 1u89 h SER 858 N 0.00 0.66 -0.67 -0.43 0.02 -1.03 0.24 113.55 112.34 1u89 h SER 858 Ca -0.00 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.56 1u89 h SER 858 Cb 1.02 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.35 1u89 h SER 858 CO 0.04 0.86 0.31 0.00 -1.14 0.00 0.00 176.83 176.90 1u89 h ALA 859 N 0.82 0.86 -0.36 3.77 0.00 -1.00 -0.77 119.26 122.58 1u89 h ALA 859 Ca 0.09 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1u89 h ALA 859 Cb 0.57 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1u89 h ALA 859 CO 0.03 0.44 0.06 0.00 0.00 0.00 0.00 179.25 179.78 1u89 h ALA 860 N 1.14 1.44 -0.49 0.00 0.00 -1.14 -0.56 119.26 119.66 1u89 h ALA 860 Ca 0.23 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1u89 h ALA 860 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1u89 h ALA 860 CO -0.03 0.41 0.14 0.87 0.00 0.00 0.00 179.25 180.64 1u89 h LYS 861 N 0.52 0.77 -0.48 0.00 1.57 -0.06 -0.98 116.57 117.91 1u89 h LYS 861 Ca 0.12 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1u89 h LYS 861 Cb 0.24 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1u89 h LYS 861 CO 0.00 0.73 0.30 0.82 -0.57 0.00 0.00 179.45 180.73 1u89 h ILE 862 N 0.66 1.08 -0.12 1.86 2.04 -0.54 0.19 117.51 122.67 1u89 h ILE 862 Ca 0.16 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.85 1u89 h ILE 862 Cb 0.30 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1u89 h ILE 862 CO -0.00 0.11 -0.22 -0.07 0.00 0.00 0.00 178.15 177.96 1u89 h LEU 863 N 0.60 -0.69 -0.45 1.44 -0.00 -0.81 0.11 115.31 115.52 1u89 h LEU 863 Ca 0.19 0.11 -0.10 0.00 -0.00 0.00 0.00 57.88 58.08 1u89 h LEU 863 Cb -0.02 0.31 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 1u89 h LEU 863 CO -0.07 -0.28 -0.12 0.00 -0.00 0.00 0.00 178.44 177.98 1u89 h ALA 864 N 0.67 0.62 -0.15 1.53 0.00 -0.89 -1.59 119.26 119.46 1u89 h ALA 864 Ca 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1u89 h ALA 864 Cb 0.43 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1u89 h ALA 864 CO -0.29 0.52 -0.00 0.22 0.00 0.00 0.00 179.25 179.70 1u89 h ASP 865 N 0.70 0.26 -0.26 0.00 1.82 -0.39 -1.65 116.42 116.90 1u89 h ASP 865 Ca 0.11 -0.31 -0.05 0.00 -0.39 0.00 0.00 57.03 56.39 1u89 h ASP 865 Cb 0.66 -0.07 -0.02 0.00 0.68 0.00 0.00 39.33 40.59 1u89 h ASP 865 CO 0.05 0.51 0.02 0.00 -1.61 0.00 0.00 179.24 178.20 1u89 h ALA 866 N 0.76 1.35 -0.66 -0.78 0.00 -0.78 -1.02 119.26 118.14 1u89 h ALA 866 Ca 0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1u89 h ALA 866 Cb 0.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1u89 h ALA 866 CO 0.01 0.45 0.17 1.15 0.00 0.00 0.00 179.25 181.02 1u89 h THR 867 N 0.54 1.26 -0.54 0.00 2.02 -1.09 0.34 112.91 115.44 1u89 h THR 867 Ca 0.12 -0.93 -0.05 0.00 0.77 0.00 0.00 66.41 66.31 1u89 h THR 867 Cb 0.33 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1u89 h THR 867 CO 0.01 0.36 0.14 0.00 0.37 0.00 0.00 175.52 176.40 1u89 h ALA 868 N 1.07 0.70 -0.81 6.16 0.00 -0.72 0.13 119.26 125.78 1u89 h ALA 868 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1u89 h ALA 868 Cb 0.36 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1u89 h ALA 868 CO 0.00 0.39 0.46 -0.22 0.00 0.00 0.00 179.25 179.88 1u89 h LYS 869 N 0.75 1.13 0.07 0.00 1.63 -0.87 0.29 116.57 119.57 1u89 h LYS 869 Ca 0.17 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1u89 h LYS 869 Cb 0.32 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.72 1u89 h LYS 869 CO -0.00 0.82 -0.03 0.52 -3.45 0.00 0.00 179.45 177.30 1u89 h MET 870 N 1.13 -0.09 -0.62 1.90 2.86 0.16 0.18 114.93 120.44 1u89 h MET 870 Ca 0.29 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.87 1u89 h MET 870 Cb 0.01 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 1u89 h MET 870 CO -0.05 -0.00 0.13 -0.24 1.06 0.00 0.00 176.91 177.81 1u89 h VAL 871 N -0.16 1.25 -0.23 -2.22 3.04 -0.54 0.09 116.25 117.48 1u89 h VAL 871 Ca -0.01 -0.93 -0.03 0.00 -1.01 0.00 0.00 66.70 64.72 1u89 h VAL 871 Cb 0.13 0.63 -0.01 0.00 -2.01 0.00 0.00 31.29 30.03 1u89 h VAL 871 CO 0.02 0.35 0.04 -0.08 -1.01 0.00 0.00 177.57 176.89 1u89 h GLU 872 N 0.94 0.38 -0.47 4.17 4.22 -0.18 0.30 114.58 123.94 1u89 h GLU 872 Ca 0.20 -0.10 -0.14 0.00 0.08 0.00 0.00 59.36 59.40 1u89 h GLU 872 Cb 0.36 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1u89 h GLU 872 CO 0.00 0.52 -0.24 0.00 -2.18 0.00 0.00 179.01 177.11 1u89 h ALA 873 N 0.85 0.66 -0.35 2.92 0.00 -0.50 -0.57 119.26 122.28 1u89 h ALA 873 Ca 0.07 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.49 1u89 h ALA 873 Cb 0.32 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1u89 h ALA 873 CO 0.00 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.79 1u89 h ALA 874 N 0.85 0.48 -0.26 0.00 0.00 -0.90 -1.45 119.26 117.98 1u89 h ALA 874 Ca 0.10 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1u89 h ALA 874 Cb 0.82 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1u89 h ALA 874 CO 0.07 0.38 -0.34 0.87 0.00 0.00 0.00 179.25 180.22 1u89 h LYS 875 N 0.49 0.57 0.00 0.00 1.57 -0.90 -2.31 116.57 115.99 1u89 h LYS 875 Ca 0.08 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1u89 h LYS 875 Cb 0.66 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.96 1u89 h LYS 875 CO 0.04 0.84 0.00 0.78 -0.57 0.00 0.00 179.45 180.54 1u89 h GLY 876 N 1.04 0.00 -2.87 3.86 0.00 -0.99 -2.43 103.07 101.68 1u89 h GLY 876 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1u89 h GLY 876 CO 0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.61 1u89 n ALA 877 N -1.91 3.24 -3.47 3.60 0.00 -0.56 -4.90 120.51 116.52 1u89 n ALA 877 Ca 0.02 -1.44 -0.07 0.00 0.00 0.00 0.00 53.44 51.95 1u89 n ALA 877 Cb 0.32 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.72 1u89 n ALA 877 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 n ALA 878 N 0.81 0.24 -1.40 0.00 0.00 -0.91 -4.66 120.51 114.58 1u89 n ALA 878 Ca 0.23 -0.57 -0.25 0.00 0.00 0.00 0.00 53.44 52.85 1u89 n ALA 878 Cb 0.87 0.22 -0.08 0.00 0.00 0.00 0.00 19.45 20.46 1u89 n ALA 878 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1u89 n ALA 879 N -2.73 6.51 -3.61 0.00 0.00 -1.26 -4.81 120.51 114.61 1u89 n ALA 879 Ca -0.04 -2.84 -0.09 0.00 0.00 0.00 0.00 53.44 50.47 1u89 n ALA 879 Cb 0.16 -2.30 -0.06 0.00 0.00 0.00 0.00 19.45 17.26 1u89 n ALA 879 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1u89 s HIS 880 N -0.80 -0.37 -2.00 0.00 0.00 -1.26 -5.00 115.29 105.86 1u89 s HIS 880 Ca 0.61 0.77 0.23 0.00 -3.00 0.00 0.00 55.06 53.67 1u89 s HIS 880 Cb 0.34 0.42 1.38 0.00 -4.00 0.00 0.00 32.58 30.72 1u89 s HIS 880 CO -0.15 -0.25 1.77 -2.30 -1.00 0.00 0.00 174.74 172.81 1u89 n PRO 881 N 1.38 0.79 0.00 -0.38 -0.02 -1.26 -4.59 135.00 130.92 1u89 n PRO 881 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 1u89 n PRO 881 Cb 0.57 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.59 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 -0.96 0.00 -4.70 2.55 2.03 -1.26 -4.89 116.55 109.33 1u89 n ASP 882 Ca 0.17 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.06 1u89 n ASP 882 Cb 0.08 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.45 1u89 n ASP 882 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1u89 s SER 883 N 0.00 6.94 -0.95 1.67 0.01 -1.26 -4.92 113.70 115.19 1u89 s SER 883 Ca 0.00 2.05 -0.07 0.00 1.31 0.00 0.00 55.95 59.24 1u89 s SER 883 Cb 0.00 -2.57 -0.08 0.00 0.21 0.00 0.00 66.02 63.58 1u89 s SER 883 CO 0.00 -0.63 3.03 -0.62 0.41 0.00 0.00 173.24 175.43 1u89 n GLU 884 N 4.86 3.22 -2.76 12.44 1.02 -1.26 -4.01 120.64 134.15 1u89 n GLU 884 Ca 0.12 -2.11 -0.03 0.00 -0.02 0.00 0.00 57.16 55.11 1u89 n GLU 884 Cb 0.45 -2.46 0.06 0.00 -0.02 0.00 0.00 31.44 29.47 1u89 n GLU 884 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1u89 n GLU 885 N 2.58 1.48 0.11 3.49 1.02 -1.26 -4.89 120.64 123.17 1u89 n GLU 885 Ca 0.62 -3.06 -0.17 0.00 -0.02 0.00 0.00 57.16 54.53 1u89 n GLU 885 Cb 0.47 -1.17 -0.14 0.00 -0.02 0.00 0.00 31.44 30.58 1u89 n GLU 885 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1u89 h GLN 886 N 2.50 0.30 -1.32 3.49 3.07 -2.01 -3.44 115.11 117.70 1u89 h GLN 886 Ca -0.17 -0.51 0.00 0.00 0.09 0.00 0.00 58.65 58.06 1u89 h GLN 886 Cb 1.25 0.19 -0.24 0.00 0.08 0.00 0.00 27.48 28.76 1u89 h GLN 886 CO 0.22 1.24 -0.35 -1.14 0.09 0.00 0.00 178.83 178.88 1u89 s GLN 887 N -2.65 0.49 0.31 0.06 2.00 -1.26 -5.16 119.66 113.46 1u89 s GLN 887 Ca -0.05 0.82 -0.16 0.00 -2.00 0.00 0.00 55.36 53.97 1u89 s GLN 887 Cb 0.07 0.17 -0.09 0.00 0.80 0.00 0.00 33.01 33.96 1u89 s GLN 887 CO 0.89 -0.64 0.74 -0.65 -0.50 0.00 0.00 175.29 175.13 1u89 s GLN 888 N 2.74 4.04 0.00 1.67 -1.52 -1.26 -5.19 119.66 120.15 1u89 s GLN 888 Ca 0.18 0.71 0.00 0.00 -1.95 0.00 0.00 55.36 54.30 1u89 s GLN 888 Cb -0.15 -2.48 0.00 0.00 -0.22 0.00 0.00 33.01 30.16 1u89 s GLN 888 CO -0.19 0.18 0.00 2.89 -0.25 0.00 0.00 175.29 177.92