#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2abi h PRO 738 N 0.00 0.34 -0.29 1.43 0.11 -2.01 -3.17 132.00 128.41 2abi h PRO 738 Ca 0.00 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.15 2abi h PRO 738 Cb 0.00 -0.08 -0.08 0.00 0.11 0.00 0.00 31.00 30.95 2abi h PRO 738 CO 0.00 0.23 -0.38 0.28 -0.21 0.00 0.00 178.00 177.92 2abi h VAL 739 N 0.35 0.18 -0.45 3.15 2.07 -1.99 -0.83 116.25 118.74 2abi h VAL 739 Ca 0.11 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2abi h VAL 739 Cb -0.01 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2abi h VAL 739 CO -0.05 0.00 0.23 -0.03 0.02 0.00 0.00 177.57 177.74 2abi h MET 740 N -0.36 0.64 -0.27 1.57 -1.53 -2.01 -2.96 114.93 110.01 2abi h MET 740 Ca 0.12 -0.09 0.01 0.00 -3.44 0.00 0.00 59.70 56.31 2abi h MET 740 Cb 0.58 -0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.49 2abi h MET 740 CO -0.48 0.53 0.15 0.28 0.14 0.00 0.00 176.91 177.53 2abi h VAL 741 N 0.58 1.01 -0.97 -5.77 2.07 -1.44 -2.18 116.25 109.56 2abi h VAL 741 Ca 0.15 -0.11 0.15 0.00 0.82 0.00 0.00 66.70 67.72 2abi h VAL 741 Cb 0.10 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 30.46 2abi h VAL 741 CO -0.02 0.06 0.61 -0.07 0.02 0.00 0.00 177.57 178.17 2abi h LEU 742 N 0.31 0.78 -0.65 2.57 3.38 -1.08 0.48 115.31 121.10 2abi h LEU 742 Ca 0.11 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 2abi h LEU 742 Cb 0.02 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2abi h LEU 742 CO -0.06 0.37 -0.32 -0.33 0.09 0.00 0.00 178.44 178.18 2abi h GLU 743 N 0.81 0.00 0.21 1.13 5.08 -1.25 -2.79 114.58 117.78 2abi h GLU 743 Ca 0.51 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.53 2abi h GLU 743 Cb 0.72 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.99 2abi h GLU 743 CO -0.28 0.32 -1.58 -0.97 -1.00 0.00 0.00 179.01 175.51 2abi h ASN 744 N 0.00 0.71 0.11 1.42 -1.24 -0.53 -3.33 115.58 112.71 2abi h ASN 744 Ca -0.00 -0.93 0.00 0.00 0.71 0.00 0.00 56.30 56.08 2abi h ASN 744 Cb 0.99 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 39.81 2abi h ASN 744 CO 0.04 1.73 -0.01 2.30 -1.29 0.00 0.00 177.43 180.20 2abi n ILE 745 N -3.69 0.00 -1.74 2.57 -5.35 -0.01 -4.88 119.36 106.26 2abi n ILE 745 Ca -0.21 -0.05 -0.42 0.00 -0.27 0.00 0.00 62.75 61.80 2abi n ILE 745 Cb 1.07 -0.29 -0.03 0.00 -1.74 0.00 0.00 39.64 38.65 2abi n ILE 745 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2abi s GLU 746 N -2.13 4.15 1.02 6.28 2.56 -1.05 -4.76 118.70 124.77 2abi s GLU 746 Ca 0.42 2.53 -0.18 0.00 0.00 0.00 0.00 54.97 57.74 2abi s GLU 746 Cb 0.21 -4.10 -0.03 0.00 2.00 0.00 0.00 34.13 32.21 2abi s GLU 746 CO 0.39 -0.93 -0.36 -2.30 -0.56 0.00 0.00 175.26 171.50 2abi n PRO 747 N 7.36 -0.54 -3.85 4.30 -0.02 -1.26 -5.03 135.00 135.95 2abi n PRO 747 Ca 0.19 -0.14 -0.21 0.00 -2.02 0.00 0.00 63.50 61.32 2abi n PRO 747 Cb 0.41 -1.46 -0.02 0.00 -0.02 0.00 0.00 33.50 32.41 2abi n PRO 747 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 2abi s GLU 748 N -2.90 3.14 0.13 -0.52 1.03 -1.26 -5.09 118.70 113.24 2abi s GLU 748 Ca 0.49 -0.97 -0.30 0.00 0.03 0.00 0.00 54.97 54.22 2abi s GLU 748 Cb -0.12 -2.74 -0.06 0.00 -0.80 0.00 0.00 34.13 30.41 2abi s GLU 748 CO 0.70 0.28 0.95 0.42 -1.33 0.00 0.00 175.26 176.29 2abi s ILE 749 N -2.11 4.42 0.17 1.83 1.01 -1.26 -5.02 121.20 120.24 2abi s ILE 749 Ca 0.38 2.07 0.09 0.00 0.00 0.00 0.00 60.65 63.19 2abi s ILE 749 Cb -0.08 -4.32 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2abi s ILE 749 CO 0.28 0.35 -0.12 0.68 0.00 0.00 0.00 174.94 176.13 2abi s VAL 750 N -0.22 3.05 0.35 2.92 -7.23 -1.26 -5.06 120.40 112.94 2abi s VAL 750 Ca 0.46 -1.69 -0.22 0.00 -1.81 0.00 0.00 61.98 58.73 2abi s VAL 750 Cb -0.24 -2.49 -0.10 0.00 0.56 0.00 0.00 36.38 34.11 2abi s VAL 750 CO 0.30 -0.09 0.88 -0.31 -0.31 0.00 0.00 175.10 175.58 2abi s TYR 751 N -1.64 3.49 -1.24 2.82 1.51 -1.26 -4.47 117.35 116.56 2abi s TYR 751 Ca 0.24 1.58 0.26 0.00 -1.01 0.00 0.00 57.07 58.13 2abi s TYR 751 Cb -0.09 -2.79 0.70 0.00 -0.11 0.00 0.00 41.96 39.67 2abi s TYR 751 CO 0.14 0.09 1.54 0.00 -1.11 0.00 0.00 175.55 176.20 2abi n ALA 752 N -0.03 3.25 -2.88 3.71 0.00 -1.26 -4.88 120.51 118.43 2abi n ALA 752 Ca 0.04 -0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.03 2abi n ALA 752 Cb 0.52 -1.17 0.06 0.00 0.00 0.00 0.00 19.45 18.85 2abi n ALA 752 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2abi n GLY 753 N 1.44 -0.24 3.77 0.00 0.00 -1.26 -4.41 105.19 104.49 2abi n GLY 753 Ca 0.08 0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2abi n GLY 753 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2abi s TYR 754 N -3.25 3.85 0.00 1.61 5.04 -1.26 -5.05 117.35 118.28 2abi s TYR 754 Ca 0.11 1.75 0.00 0.00 -2.44 0.00 0.00 57.07 56.48 2abi s TYR 754 Cb -0.01 -2.87 0.00 0.00 0.35 0.00 0.00 41.96 39.43 2abi s TYR 754 CO 0.50 0.39 0.00 -0.40 -1.34 0.00 0.00 175.55 174.70 2abi n ASP 755 N 1.16 0.00 -3.15 4.32 5.68 -1.26 -5.12 116.55 118.19 2abi n ASP 755 Ca -0.02 -0.43 0.06 0.00 -0.50 0.00 0.00 54.79 53.89 2abi n ASP 755 Cb 0.49 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.46 2abi n ASP 755 CO 0.00 0.00 0.00 1.51 -1.33 0.00 0.00 177.20 177.38 2abi s ASP 760 N 0.00 -0.35 0.92 -1.12 3.84 -1.26 -5.26 116.67 113.45 2abi s ASP 760 Ca 0.00 0.12 -0.11 0.00 -0.00 0.00 0.00 52.55 52.57 2abi s ASP 760 Cb 0.00 1.25 0.18 0.00 -1.38 0.00 0.00 42.92 42.98 2abi s ASP 760 CO 0.00 -0.06 1.12 0.35 -0.00 0.00 0.00 175.17 176.57 2abi n THR 761 N 5.29 0.00 -0.01 2.11 -2.24 -1.26 -4.86 114.28 113.30 2abi n THR 761 Ca 0.01 -1.04 -0.12 0.00 -2.27 0.00 0.00 64.05 60.63 2abi n THR 761 Cb 0.56 -1.38 0.01 0.00 -2.10 0.00 0.00 70.33 67.42 2abi n THR 761 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2abi h ALA 762 N -1.47 0.57 -0.81 6.98 0.00 -1.89 -1.24 119.26 121.40 2abi h ALA 762 Ca -0.36 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 2abi h ALA 762 Cb 1.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 2abi h ALA 762 CO 0.29 0.70 0.46 1.05 0.00 0.00 0.00 179.25 181.74 2abi h GLU 763 N 0.49 1.12 -0.03 0.00 -0.00 -1.89 -0.85 114.58 113.42 2abi h GLU 763 Ca -0.00 -0.12 -0.19 0.00 -0.00 0.00 0.00 59.36 59.05 2abi h GLU 763 Cb 1.18 -0.22 0.01 0.00 -0.00 0.00 0.00 28.75 29.72 2abi h GLU 763 CO 0.12 0.81 -0.72 -0.91 -0.00 0.00 0.00 179.01 178.31 2abi h ASN 764 N 1.12 0.68 0.77 3.06 -0.26 -1.84 -2.67 115.58 116.44 2abi h ASN 764 Ca 0.29 -0.72 -0.04 0.00 -0.56 0.00 0.00 56.30 55.27 2abi h ASN 764 Cb 0.00 -0.21 0.01 0.00 -1.06 0.00 0.00 38.32 37.06 2abi h ASN 764 CO -0.05 1.31 -0.37 -0.07 -1.06 0.00 0.00 177.43 177.19 2abi h LEU 765 N 0.12 -0.88 -0.85 1.61 3.38 -1.12 -1.58 115.31 115.99 2abi h LEU 765 Ca -0.08 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.00 2abi h LEU 765 Cb 1.40 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.30 2abi h LEU 765 CO 0.14 -0.60 0.50 -0.07 0.09 0.00 0.00 178.44 178.50 2abi h LEU 766 N -1.09 0.72 -0.83 1.67 3.38 -1.28 -1.65 115.31 116.23 2abi h LEU 766 Ca -0.11 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2abi h LEU 766 Cb 0.81 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2abi h LEU 766 CO 0.17 0.41 -0.26 0.28 0.09 0.00 0.00 178.44 179.14 2abi h SER 767 N 0.83 0.58 -0.31 -0.43 0.02 -1.42 -1.90 113.55 110.93 2abi h SER 767 Ca 0.41 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2abi h SER 767 Cb 0.36 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2abi h SER 767 CO -0.24 0.83 -0.05 0.74 -1.14 0.00 0.00 176.83 176.97 2abi h THR 768 N 0.50 1.24 -0.31 -2.27 2.02 -0.41 -0.35 112.91 113.33 2abi h THR 768 Ca 0.07 -1.01 -0.16 0.00 0.77 0.00 0.00 66.41 66.08 2abi h THR 768 Cb 0.72 0.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 2abi h THR 768 CO 0.05 0.35 -0.46 -0.07 0.37 0.00 0.00 175.52 175.76 2abi h LEU 769 N 0.64 0.88 -0.80 2.58 3.38 -1.07 0.17 115.31 121.09 2abi h LEU 769 Ca 0.12 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.58 2abi h LEU 769 Cb 0.47 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2abi h LEU 769 CO 0.02 1.20 0.01 0.78 0.09 0.00 0.00 178.44 180.55 2abi h ASN 770 N 0.64 0.89 0.47 -0.43 2.35 -1.04 0.20 115.58 118.66 2abi h ASN 770 Ca 0.04 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.54 2abi h ASN 770 Cb 1.04 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.18 2abi h ASN 770 CO 0.10 0.94 -0.23 0.03 -1.65 0.00 0.00 177.43 176.63 2abi h ARG 771 N 0.85 -0.61 -0.98 0.81 3.08 -0.77 -0.84 114.38 115.93 2abi h ARG 771 Ca 0.16 0.04 0.19 0.00 0.07 0.00 0.00 59.98 60.44 2abi h ARG 771 Cb 0.49 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 30.58 2abi h ARG 771 CO 0.02 -0.36 0.61 1.25 -1.07 0.00 0.00 179.97 180.43 2abi h LEU 772 N -0.73 0.72 -0.02 3.04 5.85 -0.41 -1.07 115.31 122.69 2abi h LEU 772 Ca -0.06 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 2abi h LEU 772 Cb 0.53 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.51 2abi h LEU 772 CO 0.11 0.27 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 2abi h ALA 773 N 1.63 0.02 -0.87 1.25 0.00 -0.23 0.95 119.26 122.01 2abi h ALA 773 Ca 0.55 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.44 2abi h ALA 773 Cb 0.92 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 2abi h ALA 773 CO -0.32 -0.34 0.49 0.78 0.00 0.00 0.00 179.25 179.86 2abi h GLY 774 N -0.24 1.41 1.17 0.00 0.00 -0.06 0.39 103.07 105.75 2abi h GLY 774 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 2abi h GLY 774 CO 0.00 0.06 -0.26 1.70 0.00 0.00 0.00 176.54 178.05 2abi h LYS 775 N 0.76 0.94 -0.41 4.80 3.64 -1.02 -3.02 116.57 122.27 2abi h LYS 775 Ca 0.45 -0.42 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2abi h LYS 775 Cb 0.52 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2abi h LYS 775 CO -0.30 1.08 -0.10 1.96 -2.27 0.00 0.00 179.45 179.82 2abi h GLN 776 N 0.80 0.71 0.00 1.90 4.20 0.12 -2.53 115.11 120.32 2abi h GLN 776 Ca 0.10 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2abi h GLN 776 Cb 0.83 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.54 2abi h GLN 776 CO 0.07 0.79 0.00 0.52 -0.67 0.00 0.00 178.83 179.54 2abi h MET 777 N 0.65 0.00 -0.18 1.46 2.86 -0.19 -0.73 114.93 118.80 2abi h MET 777 Ca 0.12 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.72 2abi h MET 777 Cb 0.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 2abi h MET 777 CO 0.03 0.00 -0.01 0.82 1.06 0.00 0.00 176.91 178.81 2abi h ILE 778 N 0.00 1.26 -0.19 -1.22 1.08 -1.49 -1.74 117.51 115.21 2abi h ILE 778 Ca 0.00 -0.90 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 2abi h ILE 778 Cb 0.07 1.50 -0.01 0.00 -3.07 0.00 0.00 36.82 35.31 2abi h ILE 778 CO 0.00 0.27 0.11 1.56 -0.69 0.00 0.00 178.15 179.41 2abi h GLN 779 N 0.07 0.23 -0.45 2.37 4.20 -1.28 -1.85 115.11 118.40 2abi h GLN 779 Ca 0.05 -0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.83 2abi h GLN 779 Cb 0.41 -0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 2abi h GLN 779 CO 0.01 0.15 -0.02 0.28 -0.67 0.00 0.00 178.83 178.59 2abi h VAL 780 N 0.23 0.64 -0.49 -0.54 2.07 -1.18 0.25 116.25 117.23 2abi h VAL 780 Ca 0.07 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 2abi h VAL 780 Cb -0.01 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2abi h VAL 780 CO -0.03 0.02 0.12 0.58 0.02 0.00 0.00 177.57 178.28 2abi h VAL 781 N 0.09 1.24 0.00 2.57 2.07 -1.20 -0.36 116.25 120.67 2abi h VAL 781 Ca 0.22 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 2abi h VAL 781 Cb 0.33 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 2abi h VAL 781 CO -0.38 0.30 -0.20 0.50 0.02 0.00 0.00 177.57 177.81 2abi h LYS 782 N 0.68 0.00 0.11 1.57 3.64 -0.53 -1.45 116.57 120.59 2abi h LYS 782 Ca 0.16 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.35 2abi h LYS 782 Cb 0.33 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.17 2abi h LYS 782 CO 0.00 0.20 -0.78 2.35 -2.27 0.00 0.00 179.45 178.96 2abi h TRP 783 N 0.00 0.56 -0.34 1.91 7.01 -0.17 -3.35 115.95 121.58 2abi h TRP 783 Ca -0.00 -0.39 -0.07 0.00 2.11 0.00 0.00 58.89 60.54 2abi h TRP 783 Cb 0.37 -0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.38 2abi h TRP 783 CO 0.00 1.28 -0.09 0.00 -2.79 0.00 0.00 178.44 176.84 2abi h ALA 784 N 0.13 1.22 0.00 2.65 0.00 -0.84 -3.02 119.26 119.40 2abi h ALA 784 Ca -0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 2abi h ALA 784 Cb 1.58 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 2abi h ALA 784 CO 0.15 0.51 -0.03 1.57 0.00 0.00 0.00 179.25 181.44 2abi h LYS 785 N 0.53 0.00 -0.17 0.00 2.10 -1.40 -2.55 116.57 115.08 2abi h LYS 785 Ca 0.10 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.67 2abi h LYS 785 Cb 0.48 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.76 2abi h LYS 785 CO 0.03 0.03 -0.27 1.33 -2.00 0.00 0.00 179.45 178.57 2abi n VAL 786 N -3.35 2.36 -3.19 0.07 0.24 -1.14 -4.69 118.33 108.62 2abi n VAL 786 Ca -0.02 -2.94 -0.39 0.00 -2.04 0.00 0.00 64.34 58.96 2abi n VAL 786 Cb 0.16 -0.28 -0.05 0.00 -1.47 0.00 0.00 33.84 32.20 2abi n VAL 786 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 2abi s LEU 787 N -3.22 4.31 0.34 1.34 0.20 -0.96 -5.00 118.68 115.70 2abi s LEU 787 Ca 0.41 1.01 -0.28 0.00 0.69 0.00 0.00 54.13 55.96 2abi s LEU 787 Cb 0.38 -2.88 -0.12 0.00 -0.43 0.00 0.00 46.19 43.14 2abi s LEU 787 CO -0.03 -0.03 1.41 -2.65 -0.29 0.00 0.00 176.35 174.75 2abi n PRO 788 N 3.60 2.39 0.00 0.98 -0.02 -1.26 -1.55 135.00 139.14 2abi n PRO 788 Ca -0.05 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 2abi n PRO 788 Cb 0.51 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 2abi n PRO 788 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2abi n GLY 789 N 0.91 2.16 0.25 -1.23 0.00 -1.26 -4.53 105.19 101.50 2abi n GLY 789 Ca 0.04 -0.03 0.02 0.00 0.00 0.00 0.00 46.02 46.06 2abi n GLY 789 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2abi h PHE 790 N 0.00 -0.14 0.00 1.61 3.57 -1.92 0.25 116.94 120.31 2abi h PHE 790 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 2abi h PHE 790 Cb 0.00 0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.91 2abi h PHE 790 CO 0.00 -0.23 0.00 0.36 -2.23 0.00 0.00 178.31 176.21 2abi n LYS 791 N -5.35 0.02 -0.14 1.11 2.85 -0.60 -1.50 118.16 114.54 2abi n LYS 791 Ca 0.10 0.51 0.11 0.00 -1.05 0.00 0.00 58.31 57.97 2abi n LYS 791 Cb 0.39 -1.57 0.18 0.00 -0.65 0.00 0.00 35.03 33.38 2abi n LYS 791 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2abi n ASN 792 N -1.62 3.19 -4.90 -5.58 3.02 0.89 -4.94 115.26 105.32 2abi n ASN 792 Ca 0.00 -1.93 -0.29 0.00 -0.03 0.00 0.00 54.58 52.33 2abi n ASN 792 Cb 0.02 -0.19 0.05 0.00 -0.61 0.00 0.00 39.78 39.04 2abi n ASN 792 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2abi s LEU 793 N -1.43 2.97 0.76 3.41 1.43 -0.56 -5.00 118.68 120.26 2abi s LEU 793 Ca 0.33 0.94 -0.14 0.00 -1.03 0.00 0.00 54.13 54.22 2abi s LEU 793 Cb 0.20 -3.71 0.06 0.00 0.03 0.00 0.00 46.19 42.76 2abi s LEU 793 CO 0.28 -1.31 1.22 -2.16 0.23 0.00 0.00 176.35 174.61 2abi s PRO 794 N -5.26 1.90 0.22 1.29 0.04 -1.26 -4.78 135.00 127.15 2abi s PRO 794 Ca 0.57 1.80 -0.08 0.00 0.04 0.00 0.00 61.00 63.34 2abi s PRO 794 Cb -0.11 -1.80 0.34 0.00 0.04 0.00 0.00 34.50 32.97 2abi s PRO 794 CO 0.49 -2.03 1.74 1.25 0.04 0.00 0.00 177.00 178.50 2abi h LEU 795 N -0.53 0.26 -0.55 -3.56 5.85 -1.94 -1.61 115.31 113.24 2abi h LEU 795 Ca -0.47 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.42 2abi h LEU 795 Cb 1.30 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 2abi h LEU 795 CO 0.48 0.14 0.18 -0.33 -0.34 0.00 0.00 178.44 178.57 2abi h GLU 796 N 0.44 0.34 -0.40 1.25 3.07 -2.00 -1.90 114.58 115.38 2abi h GLU 796 Ca 0.35 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.18 2abi h GLU 796 Cb 0.45 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.27 2abi h GLU 796 CO -0.33 0.22 0.22 -0.44 -1.40 0.00 0.00 179.01 177.28 2abi h ASP 797 N 0.35 0.49 -0.17 1.42 3.32 -1.65 -1.67 116.42 118.51 2abi h ASP 797 Ca 0.27 -0.08 0.05 0.00 0.02 0.00 0.00 57.03 57.29 2abi h ASP 797 Cb 0.33 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 2abi h ASP 797 CO -0.29 0.43 -0.13 1.56 -1.72 0.00 0.00 179.24 179.09 2abi h GLN 798 N 0.51 -0.13 -0.60 3.56 4.20 -1.02 -1.59 115.11 120.04 2abi h GLN 798 Ca 0.14 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2abi h GLN 798 Cb 0.04 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.81 2abi h GLN 798 CO -0.02 -0.09 0.37 0.82 -0.67 0.00 0.00 178.83 179.24 2abi h ILE 799 N -0.14 1.07 -0.79 2.54 2.04 -1.15 -1.87 117.51 119.21 2abi h ILE 799 Ca 0.11 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 2abi h ILE 799 Cb 0.29 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2abi h ILE 799 CO -0.26 0.13 0.35 0.74 0.00 0.00 0.00 178.15 179.12 2abi h THR 800 N 0.72 1.25 -0.62 -0.27 2.02 -0.95 -1.83 112.91 113.23 2abi h THR 800 Ca 0.24 -0.75 -0.06 0.00 0.77 0.00 0.00 66.41 66.61 2abi h THR 800 Cb 0.03 0.28 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 2abi h THR 800 CO -0.10 0.31 0.16 -0.07 0.37 0.00 0.00 175.52 176.19 2abi h LEU 801 N 1.13 0.91 -0.33 2.58 3.38 -0.75 -1.01 115.31 121.21 2abi h LEU 801 Ca 0.27 -0.17 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 2abi h LEU 801 Cb 0.16 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2abi h LEU 801 CO -0.03 0.88 -0.47 0.40 0.09 0.00 0.00 178.44 179.31 2abi h ILE 802 N 0.93 1.27 -0.19 1.22 2.04 -1.12 -1.80 117.51 119.87 2abi h ILE 802 Ca 0.20 -1.65 -0.09 0.00 1.00 0.00 0.00 64.86 64.32 2abi h ILE 802 Cb 0.32 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 2abi h ILE 802 CO -0.00 0.54 -0.28 1.56 0.00 0.00 0.00 178.15 179.97 2abi h GLN 803 N 0.70 0.35 -0.01 2.37 4.20 -1.16 0.27 115.11 121.83 2abi h GLN 803 Ca 0.04 -0.13 -0.12 0.00 0.06 0.00 0.00 58.65 58.49 2abi h GLN 803 Cb 1.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.81 2abi h GLN 803 CO 0.11 0.61 -0.57 1.88 -0.67 0.00 0.00 178.83 180.19 2abi h TYR 804 N 0.31 0.04 0.00 2.96 0.99 -1.00 -3.33 116.97 116.95 2abi h TYR 804 Ca 0.05 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.76 2abi h TYR 804 Cb 0.66 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.39 2abi h TYR 804 CO 0.02 0.59 -0.02 -1.13 -0.00 0.00 0.00 178.16 177.62 2abi n SER 805 N -3.86 1.88 -0.23 3.88 3.41 -0.69 -4.74 113.62 113.25 2abi n SER 805 Ca -0.01 -2.23 0.14 0.00 -0.26 0.00 0.00 58.87 56.51 2abi n SER 805 Cb 0.58 -0.13 0.44 0.00 -0.26 0.00 0.00 64.21 64.84 2abi n SER 805 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 2abi h TRP 806 N 0.00 0.67 -0.23 7.33 5.08 -0.58 -1.09 115.95 127.13 2abi h TRP 806 Ca 0.00 0.02 -0.19 0.00 1.08 0.00 0.00 58.89 59.80 2abi h TRP 806 Cb 0.71 -0.21 0.00 0.00 -3.00 0.00 0.00 29.16 26.66 2abi h TRP 806 CO 0.00 0.24 -0.61 0.52 -1.28 0.00 0.00 178.44 177.31 2abi h MET 807 N 0.56 0.82 0.26 0.12 2.86 -1.85 -2.40 114.93 115.30 2abi h MET 807 Ca 0.43 -0.57 -0.00 0.00 -2.06 0.00 0.00 59.70 57.50 2abi h MET 807 Cb 0.84 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.58 2abi h MET 807 CO -0.18 1.20 -0.22 0.00 1.06 0.00 0.00 176.91 178.77 2abi h LEU 809 N -0.49 0.48 -0.56 0.00 3.38 -1.34 0.65 115.31 117.44 2abi h LEU 809 Ca -0.01 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 2abi h LEU 809 Cb 0.44 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2abi h LEU 809 CO -0.02 0.25 -0.04 0.28 0.09 0.00 0.00 178.44 179.00 2abi h SER 810 N 0.61 1.01 -0.05 -0.43 0.02 -1.07 -2.02 113.55 111.62 2abi h SER 810 Ca 0.38 -0.32 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2abi h SER 810 Cb 0.45 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2abi h SER 810 CO -0.30 1.09 -0.02 -1.28 -1.14 0.00 0.00 176.83 175.18 2abi h SER 811 N 0.90 0.11 -0.79 3.07 0.87 -0.28 -1.91 113.55 115.53 2abi h SER 811 Ca 0.15 -0.39 -0.04 0.00 -1.23 0.00 0.00 61.79 60.29 2abi h SER 811 Cb 0.60 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.49 2abi h SER 811 CO 0.04 0.48 0.36 0.15 -0.53 0.00 0.00 176.83 177.32 2abi h PHE 812 N -0.25 1.16 -0.02 2.24 3.57 -0.92 -1.55 116.94 121.17 2abi h PHE 812 Ca 0.01 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.31 2abi h PHE 812 Cb 0.43 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 2abi h PHE 812 CO 0.06 0.86 -0.63 0.00 -2.23 0.00 0.00 178.31 176.36 2abi h ALA 813 N 1.25 0.90 0.18 2.41 0.00 -1.40 -1.15 119.26 121.45 2abi h ALA 813 Ca 0.27 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2abi h ALA 813 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2abi h ALA 813 CO -0.03 0.77 -0.09 1.25 0.00 0.00 0.00 179.25 181.16 2abi h LEU 814 N 0.07 -0.21 -0.96 0.00 5.85 -0.76 -1.10 115.31 118.21 2abi h LEU 814 Ca -0.01 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2abi h LEU 814 Cb 1.13 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 2abi h LEU 814 CO 0.09 -0.02 0.63 0.28 -0.34 0.00 0.00 178.44 179.07 2abi h SER 815 N -0.38 1.05 0.60 1.25 0.02 -1.19 0.22 113.55 115.11 2abi h SER 815 Ca -0.02 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2abi h SER 815 Cb 0.29 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2abi h SER 815 CO 0.04 0.72 -0.40 -0.25 -1.14 0.00 0.00 176.83 175.80 2abi h TRP 816 N 1.22 -1.07 -0.85 3.45 2.91 -0.83 0.24 115.95 121.02 2abi h TRP 816 Ca 0.38 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.47 2abi h TRP 816 Cb -0.01 0.39 -0.07 0.00 -0.51 0.00 0.00 29.16 28.96 2abi h TRP 816 CO -0.01 -0.60 0.51 0.00 -1.03 0.00 0.00 178.44 177.32 2abi h ARG 817 N -0.96 0.88 0.00 2.65 3.08 -0.94 0.30 114.38 119.39 2abi h ARG 817 Ca -0.07 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 2abi h ARG 817 Cb 0.79 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 2abi h ARG 817 CO 0.05 0.58 -0.12 0.77 -1.07 0.00 0.00 179.97 180.17 2abi h SER 818 N 0.90 0.00 0.12 7.04 0.02 -0.15 0.56 113.55 122.03 2abi h SER 818 Ca 0.39 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 61.09 2abi h SER 818 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2abi h SER 818 CO -0.21 0.12 -1.23 0.22 -1.14 0.00 0.00 176.83 174.60 2abi h TYR 819 N 0.00 0.44 -0.00 3.45 3.20 0.16 0.39 116.97 124.61 2abi h TYR 819 Ca -0.00 -0.32 -0.17 0.00 3.14 0.00 0.00 58.73 61.37 2abi h TYR 819 Cb 0.36 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 2abi h TYR 819 CO 0.00 1.48 -0.80 -0.22 -1.64 0.00 0.00 178.16 176.98 2abi h LYS 820 N -0.36 0.06 0.00 1.82 3.64 -0.33 -3.00 116.57 118.41 2abi h LYS 820 Ca -0.26 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 58.92 2abi h LYS 820 Cb 1.70 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.51 2abi h LYS 820 CO 0.07 0.82 -2.04 0.72 -2.27 0.00 0.00 179.45 176.75 2abi n HIS 821 N -3.64 0.00 -0.88 1.91 8.25 0.17 -4.65 115.22 116.38 2abi n HIS 821 Ca -0.02 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.46 2abi n HIS 821 Cb 0.76 -0.63 0.02 0.00 1.12 0.00 0.00 29.99 31.26 2abi n HIS 821 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2abi n THR 822 N -2.38 0.60 -3.39 1.59 -2.24 -1.12 -4.99 114.28 102.36 2abi n THR 822 Ca -0.14 -0.66 -0.24 0.00 -2.27 0.00 0.00 64.05 60.74 2abi n THR 822 Cb 0.75 0.57 0.05 0.00 -2.10 0.00 0.00 70.33 69.59 2abi n THR 822 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2abi n ASN 823 N -0.38 -5.98 -0.07 3.42 3.02 -1.13 -1.40 115.26 112.74 2abi n ASN 823 Ca 0.02 -0.46 -0.01 0.00 -0.03 0.00 0.00 54.58 54.11 2abi n ASN 823 Cb 0.48 -4.77 -0.00 0.00 -0.61 0.00 0.00 39.78 34.87 2abi n ASN 823 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2abi n SER 824 N -2.76 -5.48 0.16 6.41 7.64 0.13 -4.84 113.62 114.87 2abi n SER 824 Ca -0.04 0.02 0.13 0.00 1.01 0.00 0.00 58.87 59.99 2abi n SER 824 Cb 0.58 -3.06 0.33 0.00 -1.01 0.00 0.00 64.21 61.04 2abi n SER 824 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2abi h GLN 825 N 0.16 0.00 -4.38 1.43 4.20 -1.41 -3.44 115.11 111.67 2abi h GLN 825 Ca -0.02 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.50 2abi h GLN 825 Cb 0.85 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.49 2abi h GLN 825 CO 0.03 0.00 -0.56 -0.06 -0.67 0.00 0.00 178.83 177.57 2abi s PHE 826 N -3.17 0.91 -0.39 2.96 0.08 -1.26 -4.94 117.98 112.18 2abi s PHE 826 Ca 0.09 -1.21 -0.21 0.00 0.12 0.00 0.00 56.93 55.72 2abi s PHE 826 Cb 0.09 -0.42 0.01 0.00 -0.57 0.00 0.00 43.02 42.13 2abi s PHE 826 CO 0.62 -0.64 0.66 -0.51 -0.10 0.00 0.00 175.22 175.24 2abi s LEU 827 N -3.09 4.31 -1.13 -0.37 2.01 0.07 -4.72 118.68 115.77 2abi s LEU 827 Ca 0.30 0.00 -0.05 0.00 0.01 0.00 0.00 54.13 54.40 2abi s LEU 827 Cb 0.06 -2.79 0.27 0.00 0.01 0.00 0.00 46.19 43.74 2abi s LEU 827 CO 0.07 -0.67 1.62 0.00 1.01 0.00 0.00 176.35 178.38 2abi n TYR 828 N 6.17 2.41 0.21 0.29 4.19 -1.26 0.20 117.16 129.37 2abi n TYR 828 Ca -0.01 -2.62 -0.15 0.00 3.31 0.00 0.00 57.90 58.44 2abi n TYR 828 Cb 0.48 -1.42 -0.08 0.00 0.49 0.00 0.00 39.34 38.82 2abi n TYR 828 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 2abi h PHE 829 N 5.40 -0.44 -4.12 2.98 -1.00 -1.87 -3.41 116.94 114.47 2abi h PHE 829 Ca 0.28 -0.01 -0.15 0.00 2.81 0.00 0.00 57.97 60.90 2abi h PHE 829 Cb 0.59 0.15 -0.12 0.00 3.61 0.00 0.00 35.95 40.17 2abi h PHE 829 CO 1.11 -0.23 -0.38 0.00 -1.61 0.00 0.00 178.31 177.20 2abi s ALA 830 N -5.83 0.45 0.28 2.45 0.00 -1.16 -4.97 121.76 112.99 2abi s ALA 830 Ca -0.15 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.51 2abi s ALA 830 Cb 0.04 1.19 0.40 0.00 0.00 0.00 0.00 23.12 24.75 2abi s ALA 830 CO 0.62 -0.71 1.89 -1.35 0.00 0.00 0.00 175.76 176.21 2abi h PRO 831 N 2.46 0.98 -0.93 0.00 0.11 -1.90 -2.00 132.00 130.71 2abi h PRO 831 Ca -0.31 -0.13 -0.26 0.00 0.11 0.00 0.00 66.00 65.41 2abi h PRO 831 Cb 1.25 -0.18 -0.15 0.00 0.11 0.00 0.00 31.00 32.02 2abi h PRO 831 CO 0.45 0.76 0.33 -0.40 -0.21 0.00 0.00 178.00 178.93 2abi n ASP 832 N -4.34 3.67 -2.77 -2.05 3.85 -1.26 -4.65 116.55 109.00 2abi n ASP 832 Ca 0.07 -2.96 -0.03 0.00 -0.71 0.00 0.00 54.79 51.16 2abi n ASP 832 Cb 0.13 -0.70 0.02 0.00 -1.35 0.00 0.00 41.12 39.22 2abi n ASP 832 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 2abi s LEU 833 N -2.11 -0.95 -0.14 -2.12 2.96 -0.75 -4.63 118.68 110.94 2abi s LEU 833 Ca 0.38 -1.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.21 2abi s LEU 833 Cb 0.31 1.24 -0.04 0.00 0.50 0.00 0.00 46.19 48.21 2abi s LEU 833 CO 0.08 -0.05 0.03 -0.69 -1.32 0.00 0.00 176.35 174.41 2abi s VAL 834 N 1.09 4.55 -0.18 1.68 1.01 -1.26 -2.98 120.40 124.32 2abi s VAL 834 Ca 0.25 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.03 2abi s VAL 834 Cb 0.04 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2abi s VAL 834 CO -0.08 0.52 0.06 -0.36 0.00 0.00 0.00 175.10 175.24 2abi s PHE 835 N -0.11 3.24 0.54 5.22 0.40 0.13 -4.92 117.98 122.48 2abi s PHE 835 Ca 0.06 0.05 0.06 0.00 -0.60 0.00 0.00 56.93 56.49 2abi s PHE 835 Cb -0.12 -2.08 0.04 0.00 0.51 0.00 0.00 43.02 41.36 2abi s PHE 835 CO 0.02 0.14 0.42 0.54 0.70 0.00 0.00 175.22 177.03 2abi s ASN 836 N 0.40 4.67 0.48 1.36 2.20 -1.26 -0.75 114.94 122.04 2abi s ASN 836 Ca 0.03 -1.20 0.24 0.00 -0.94 0.00 0.00 52.86 50.99 2abi s ASN 836 Cb -0.12 0.34 1.27 0.00 -2.00 0.00 0.00 41.25 40.73 2abi s ASN 836 CO 0.00 -1.08 1.89 1.05 -2.94 0.00 0.00 177.10 176.02 2abi h GLU 837 N 0.75 0.20 0.00 3.55 -0.00 -1.99 -1.42 114.58 115.67 2abi h GLU 837 Ca -0.37 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 58.98 2abi h GLU 837 Cb 1.30 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 30.00 2abi h GLU 837 CO 0.57 0.13 0.00 0.39 -0.00 0.00 0.00 179.01 180.10 2abi n GLU 838 N -4.41 0.00 -0.22 1.06 1.02 -1.26 -2.91 120.64 113.93 2abi n GLU 838 Ca 0.17 0.41 0.31 0.00 -0.02 0.00 0.00 57.16 58.03 2abi n GLU 838 Cb 0.77 -1.36 0.73 0.00 -0.02 0.00 0.00 31.44 31.57 2abi n GLU 838 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2abi h LYS 839 N 0.00 0.00 -0.59 3.49 1.57 -1.90 0.55 116.57 119.69 2abi h LYS 839 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2abi h LYS 839 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2abi h LYS 839 CO 0.00 0.00 0.39 0.52 -0.57 0.00 0.00 179.45 179.79 2abi h MET 840 N 0.00 0.61 -0.00 3.15 2.86 -1.18 -1.57 114.93 118.81 2abi h MET 840 Ca 0.46 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.98 2abi h MET 840 Cb 1.88 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 33.41 2abi h MET 840 CO -0.00 0.41 -0.35 0.45 1.06 0.00 0.00 176.91 178.47 2abi h HIS 841 N 0.63 0.36 -0.23 -0.22 3.86 0.24 -2.34 115.15 117.45 2abi h HIS 841 Ca 0.25 -0.19 0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2abi h HIS 841 Cb 0.18 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 2abi h HIS 841 CO -0.00 1.00 0.15 1.96 0.86 0.00 0.00 177.93 181.90 2abi h GLN 842 N -0.39 0.16 0.00 2.45 4.20 -1.25 -1.43 115.11 118.86 2abi h GLN 842 Ca -0.04 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2abi h GLN 842 Cb 1.09 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.84 2abi h GLN 842 CO 0.07 0.11 0.00 -1.13 -0.67 0.00 0.00 178.83 177.21 2abi n SER 843 N -4.50 0.54 -3.51 1.46 3.41 -0.63 -3.53 113.62 106.86 2abi n SER 843 Ca 0.01 0.68 -0.24 0.00 -0.26 0.00 0.00 58.87 59.07 2abi n SER 843 Cb 0.18 -0.78 0.07 0.00 -0.26 0.00 0.00 64.21 63.42 2abi n SER 843 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2abi n ALA 844 N -1.74 -1.25 -2.10 7.33 0.00 -0.54 -4.77 120.51 117.44 2abi n ALA 844 Ca 0.01 0.38 -0.01 0.00 0.00 0.00 0.00 53.44 53.82 2abi n ALA 844 Cb 0.13 -5.20 -0.01 0.00 0.00 0.00 0.00 19.45 14.37 2abi n ALA 844 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2abi n MET 845 N -4.82 0.00 -0.24 0.00 0.00 -1.25 -4.99 117.12 105.82 2abi n MET 845 Ca -0.01 -0.91 0.02 0.00 0.00 0.00 0.00 57.70 56.80 2abi n MET 845 Cb 0.57 -0.05 0.11 0.00 0.00 0.00 0.00 33.22 33.85 2abi n MET 845 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 2abi h TYR 846 N 0.20 -0.19 -0.41 1.12 5.03 -1.69 -1.75 116.97 119.28 2abi h TYR 846 Ca -0.16 0.06 -0.07 0.00 2.58 0.00 0.00 58.73 61.13 2abi h TYR 846 Cb 1.39 0.20 -0.02 0.00 1.55 0.00 0.00 36.73 39.84 2abi h TYR 846 CO -0.06 -0.26 -0.05 1.49 -1.32 0.00 0.00 178.16 177.96 2abi h GLU 847 N 0.05 0.68 -0.05 1.82 4.22 -1.94 -1.86 114.58 117.50 2abi h GLU 847 Ca 0.36 -0.19 -0.18 0.00 0.08 0.00 0.00 59.36 59.44 2abi h GLU 847 Cb 0.60 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 2abi h GLU 847 CO -0.67 0.74 -0.73 -0.07 -2.18 0.00 0.00 179.01 176.10 2abi h LEU 848 N 0.64 0.36 -0.66 1.64 3.38 -1.83 -2.66 115.31 116.18 2abi h LEU 848 Ca 0.12 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2abi h LEU 848 Cb 0.48 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 2abi h LEU 848 CO 0.02 0.97 0.12 0.00 0.09 0.00 0.00 178.44 179.64 2abi h GLN 850 N 1.01 0.68 -0.47 0.00 4.15 -1.26 0.14 115.11 119.37 2abi h GLN 850 Ca 0.20 -0.16 -0.12 0.00 0.77 0.00 0.00 58.65 59.34 2abi h GLN 850 Cb 0.43 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 2abi h GLN 850 CO 0.01 0.69 -0.17 0.78 -1.93 0.00 0.00 178.83 178.21 2abi h GLY 851 N 0.92 0.98 0.77 2.39 0.00 -1.13 -0.44 103.07 106.56 2abi h GLY 851 Ca 0.13 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.56 2abi h GLY 851 CO 0.01 0.74 -0.26 -0.33 0.00 0.00 0.00 176.54 176.71 2abi h MET 852 N 0.80 0.41 -0.37 4.80 2.86 -1.04 -2.75 114.93 119.65 2abi h MET 852 Ca 0.12 -0.26 0.11 0.00 -2.06 0.00 0.00 59.70 57.60 2abi h MET 852 Cb 0.71 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2abi h MET 852 CO 0.05 0.86 0.28 1.25 1.06 0.00 0.00 176.91 180.41 2abi h HIS 853 N 0.01 0.00 0.00 -0.22 6.17 -0.61 0.16 115.15 120.66 2abi h HIS 853 Ca 0.01 0.00 -0.07 0.00 0.71 0.00 0.00 60.37 61.02 2abi h HIS 853 Cb 0.85 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.77 2abi h HIS 853 CO 0.10 0.00 -0.31 1.96 0.71 0.00 0.00 177.93 180.39 2abi h GLN 854 N 0.00 0.00 -0.04 5.26 1.08 -0.78 -1.89 115.11 118.74 2abi h GLN 854 Ca 0.18 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.16 2abi h GLN 854 Cb 0.73 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.16 2abi h GLN 854 CO -0.00 0.31 -0.88 0.82 -0.95 0.00 0.00 178.83 178.13 2abi h ILE 855 N 0.00 1.37 -0.75 2.54 1.08 -0.55 -3.01 117.51 118.19 2abi h ILE 855 Ca -0.00 -2.30 -0.06 0.00 -0.39 0.00 0.00 64.86 62.11 2abi h ILE 855 Cb 0.85 2.29 -0.03 0.00 -3.07 0.00 0.00 36.82 36.85 2abi h ILE 855 CO 0.04 0.69 0.23 0.28 -0.69 0.00 0.00 178.15 178.71 2abi h SER 856 N 0.29 1.09 0.41 1.72 0.02 -0.90 -2.13 113.55 114.05 2abi h SER 856 Ca -0.07 -0.21 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 2abi h SER 856 Cb 1.50 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2abi h SER 856 CO 0.16 1.01 -0.31 -0.07 -1.14 0.00 0.00 176.83 176.47 2abi h LEU 857 N 1.12 0.00 -1.12 5.07 4.07 -1.36 -2.34 115.31 120.74 2abi h LEU 857 Ca 0.24 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.13 2abi h LEU 857 Cb 0.31 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 2abi h LEU 857 CO -0.01 0.31 -0.33 1.56 -1.08 0.00 0.00 178.44 178.90 2abi h GLN 858 N 0.00 0.00 -0.28 1.13 4.20 -1.25 -1.66 115.11 117.25 2abi h GLN 858 Ca -0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.53 2abi h GLN 858 Cb 0.60 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.38 2abi h GLN 858 CO 0.04 0.33 -0.51 0.74 -0.67 0.00 0.00 178.83 178.76 2abi h PHE 859 N 0.00 0.98 0.67 2.96 -1.00 -1.18 -2.28 116.94 117.08 2abi h PHE 859 Ca -0.00 -0.33 -0.03 0.00 2.81 0.00 0.00 57.97 60.41 2abi h PHE 859 Cb 0.78 -0.19 0.01 0.00 3.61 0.00 0.00 35.95 40.16 2abi h PHE 859 CO 0.00 1.13 -0.32 0.28 -1.61 0.00 0.00 178.31 177.79 2abi h VAL 860 N 0.62 0.00 -1.01 -0.55 2.07 -1.37 0.21 116.25 116.22 2abi h VAL 860 Ca 0.02 -0.20 0.24 0.00 0.82 0.00 0.00 66.70 67.59 2abi h VAL 860 Cb 1.09 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.76 2abi h VAL 860 CO 0.11 0.00 0.63 0.03 0.02 0.00 0.00 177.57 178.36 2abi h ARG 861 N -1.09 0.50 -0.01 1.57 -0.00 -1.38 0.39 114.38 114.37 2abi h ARG 861 Ca -0.09 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.36 2abi h ARG 861 Cb 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 30.54 2abi h ARG 861 CO 0.15 0.33 -0.24 1.28 0.00 0.00 0.00 179.97 181.49 2abi n LEU 862 N -4.70 1.41 -3.75 3.04 4.77 -0.86 -4.96 117.00 111.95 2abi n LEU 862 Ca 0.25 -0.44 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 2abi n LEU 862 Cb 0.76 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.81 2abi n LEU 862 CO 0.23 0.25 -0.12 1.67 -1.33 0.00 0.00 177.39 178.10 2abi n GLN 863 N -0.28 -2.42 -1.78 3.23 -0.06 0.14 -4.82 117.38 111.39 2abi n GLN 863 Ca 0.13 0.48 -0.42 0.00 -2.00 0.00 0.00 57.00 55.18 2abi n GLN 863 Cb 0.39 -4.44 -0.03 0.00 -4.06 0.00 0.00 30.24 22.09 2abi n GLN 863 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2abi s LEU 864 N -6.62 4.38 0.60 1.69 2.96 0.46 -5.01 118.68 117.13 2abi s LEU 864 Ca 0.26 2.75 0.01 0.00 -0.22 0.00 0.00 54.13 56.93 2abi s LEU 864 Cb -0.09 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.07 2abi s LEU 864 CO 0.86 -0.95 0.84 0.42 -1.32 0.00 0.00 176.35 176.20 2abi s THR 865 N 1.77 2.51 0.04 3.68 -4.23 -1.26 -4.97 115.64 113.18 2abi s THR 865 Ca 0.76 -0.63 -0.19 0.00 -1.18 0.00 0.00 61.69 60.44 2abi s THR 865 Cb -0.47 -2.88 -0.16 0.00 1.34 0.00 0.00 72.50 70.33 2abi s THR 865 CO 0.33 0.00 1.27 0.15 -0.54 0.00 0.00 174.62 175.83 2abi h PHE 866 N -0.10 0.55 -0.77 3.99 3.57 -1.98 -1.68 116.94 120.52 2abi h PHE 866 Ca -0.41 -0.21 0.06 0.00 3.53 0.00 0.00 57.97 60.94 2abi h PHE 866 Cb 1.29 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.89 2abi h PHE 866 CO 0.24 0.92 0.50 0.93 -2.23 0.00 0.00 178.31 178.68 2abi h GLU 867 N 0.02 0.83 -0.23 1.11 3.07 -1.98 -0.63 114.58 116.77 2abi h GLU 867 Ca -0.00 -0.05 -0.19 0.00 -0.50 0.00 0.00 59.36 58.62 2abi h GLU 867 Cb 0.90 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.63 2abi h GLU 867 CO 0.07 0.55 -0.60 0.93 -1.40 0.00 0.00 179.01 178.55 2abi h GLU 868 N 0.85 0.81 -0.57 2.33 5.08 -1.95 -3.16 114.58 117.97 2abi h GLU 868 Ca 0.33 -0.57 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 2abi h GLU 868 Cb 0.19 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2abi h GLU 868 CO -0.11 1.19 0.00 -0.92 -1.00 0.00 0.00 179.01 178.18 2abi h TYR 869 N 0.56 1.06 -0.40 4.33 3.20 -0.47 -2.43 116.97 122.83 2abi h TYR 869 Ca -0.01 -0.17 -0.05 0.00 3.14 0.00 0.00 58.73 61.64 2abi h TYR 869 Cb 1.22 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 39.19 2abi h TYR 869 CO 0.08 0.95 0.06 1.79 -1.64 0.00 0.00 178.16 179.40 2abi h THR 870 N 0.91 1.24 -0.28 1.81 1.35 -1.21 -2.20 112.91 114.53 2abi h THR 870 Ca 0.17 -0.87 -0.14 0.00 -0.55 0.00 0.00 66.41 65.01 2abi h THR 870 Cb 0.52 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 2abi h THR 870 CO 0.03 0.30 -0.40 0.40 -0.25 0.00 0.00 175.52 175.59 2abi h ILE 871 N 0.52 1.29 -0.20 6.82 2.04 -1.53 -2.66 117.51 123.79 2abi h ILE 871 Ca 0.12 -1.58 -0.05 0.00 1.00 0.00 0.00 64.86 64.36 2abi h ILE 871 Cb 0.37 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2abi h ILE 871 CO 0.01 0.51 -0.09 0.24 0.00 0.00 0.00 178.15 178.81 2abi h MET 872 N 0.55 0.31 -0.26 2.37 2.86 -1.37 -0.35 114.93 119.03 2abi h MET 872 Ca 0.05 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2abi h MET 872 Cb 0.93 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 2abi h MET 872 CO 0.08 0.42 0.06 -0.22 1.06 0.00 0.00 176.91 178.31 2abi h LYS 873 N 0.30 0.42 -0.48 1.72 3.64 -1.06 0.25 116.57 121.36 2abi h LYS 873 Ca 0.06 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2abi h LYS 873 Cb 0.35 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2abi h LYS 873 CO 0.02 0.52 0.28 0.28 -2.27 0.00 0.00 179.45 178.28 2abi h VAL 874 N 0.25 1.03 -0.17 2.00 2.07 -1.15 -1.68 116.25 118.60 2abi h VAL 874 Ca 0.08 -0.19 0.04 0.00 0.82 0.00 0.00 66.70 67.45 2abi h VAL 874 Cb 0.30 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 2abi h VAL 874 CO 0.00 0.10 -0.11 -0.07 0.02 0.00 0.00 177.57 177.51 2abi h LEU 875 N 0.55 -0.36 -1.98 2.57 3.38 -0.65 -1.01 115.31 117.82 2abi h LEU 875 Ca 0.19 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2abi h LEU 875 Cb 0.03 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 2abi h LEU 875 CO -0.10 -0.15 0.06 -0.07 0.09 0.00 0.00 178.44 178.28 2abi h LEU 876 N -0.11 0.02 -1.76 1.67 3.38 -0.56 0.39 115.31 118.35 2abi h LEU 876 Ca 0.10 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 2abi h LEU 876 Cb 0.26 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2abi h LEU 876 CO -0.23 0.02 -0.14 0.25 0.09 0.00 0.00 178.44 178.42 2abi h LEU 877 N 0.03 0.00 -3.14 1.67 5.85 -0.27 -2.77 115.31 116.68 2abi h LEU 877 Ca 0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2abi h LEU 877 Cb 0.12 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.15 2abi h LEU 877 CO -0.00 0.14 0.00 0.18 -0.34 0.00 0.00 178.44 178.42 2abi n LEU 878 N -3.57 3.73 0.08 2.25 4.32 0.13 -4.69 117.00 119.25 2abi n LEU 878 Ca -0.01 -2.64 0.12 0.00 -0.02 0.00 0.00 56.01 53.46 2abi n LEU 878 Cb 0.28 -0.45 0.24 0.00 -1.62 0.00 0.00 43.42 41.87 2abi n LEU 878 CO 0.31 0.70 0.53 0.77 -1.22 0.00 0.00 177.39 178.48 2abi h SER 879 N 2.16 0.00 -3.30 -1.43 4.64 -1.05 -3.46 113.55 111.12 2abi h SER 879 Ca 0.00 -0.13 -0.45 0.00 -0.47 0.00 0.00 61.79 60.75 2abi h SER 879 Cb 1.24 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 62.96 2abi h SER 879 CO 0.16 0.06 -0.77 -0.89 -0.87 0.00 0.00 176.83 174.52 2abi s THR 880 N -3.15 0.54 0.27 2.95 2.01 -1.26 0.74 115.64 117.72 2abi s THR 880 Ca 0.07 -0.02 0.06 0.00 0.31 0.00 0.00 61.69 62.11 2abi s THR 880 Cb 0.13 -0.63 -0.06 0.00 0.01 0.00 0.00 72.50 71.95 2abi s THR 880 CO 0.68 0.27 -0.04 0.27 -0.69 0.00 0.00 174.62 175.11 2abi s ILE 881 N 1.63 1.46 0.51 1.82 -4.36 -1.04 -4.87 121.20 116.35 2abi s ILE 881 Ca 0.00 -2.09 -0.23 0.00 -0.26 0.00 0.00 60.65 58.07 2abi s ILE 881 Cb -0.13 -2.42 -0.06 0.00 1.25 0.00 0.00 42.46 41.09 2abi s ILE 881 CO -0.04 -0.30 1.39 -2.65 0.24 0.00 0.00 174.94 173.57 2abi n PRO 882 N -0.54 1.91 -0.33 0.37 -0.02 -1.26 -0.88 135.00 134.26 2abi n PRO 882 Ca -0.05 0.69 0.25 0.00 -2.02 0.00 0.00 63.50 62.37 2abi n PRO 882 Cb 0.64 -2.59 0.48 0.00 -0.02 0.00 0.00 33.50 32.00 2abi n PRO 882 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 2abi h LYS 883 N 1.77 0.10 -0.21 -0.52 -0.00 -0.56 0.63 116.57 117.76 2abi h LYS 883 Ca -0.51 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 2abi h LYS 883 Cb 1.29 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.50 2abi h LYS 883 CO 0.59 0.06 0.00 -0.25 -0.00 0.00 0.00 179.45 179.85 2abi n ASP 884 N -5.25 2.91 0.00 7.07 8.00 -1.26 -4.98 116.55 123.04 2abi n ASP 884 Ca 0.32 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.91 2abi n ASP 884 Cb 1.07 -0.13 0.00 0.00 -0.02 0.00 0.00 41.12 42.04 2abi n ASP 884 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2abi n GLY 885 N 1.38 -1.83 3.49 0.44 0.00 0.22 -5.03 105.19 103.85 2abi n GLY 885 Ca 0.17 -2.02 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 2abi n GLY 885 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2abi s LEU 886 N 0.00 2.63 0.32 0.99 1.43 -1.26 -4.26 118.68 118.53 2abi s LEU 886 Ca 0.00 -1.14 -0.00 0.00 -1.03 0.00 0.00 54.13 51.96 2abi s LEU 886 Cb 0.00 -0.93 0.52 0.00 0.03 0.00 0.00 46.19 45.81 2abi s LEU 886 CO 0.00 -0.17 1.97 0.07 0.23 0.00 0.00 176.35 178.46 2abi h LYS 887 N 2.18 0.99 -2.02 1.70 2.10 -2.03 -2.75 116.57 116.74 2abi h LYS 887 Ca -0.41 -0.06 -0.67 0.00 -2.00 0.00 0.00 60.65 57.51 2abi h LYS 887 Cb 1.25 -0.22 -0.36 0.00 -0.90 0.00 0.00 32.23 31.99 2abi h LYS 887 CO 0.67 0.66 0.02 0.43 -2.00 0.00 0.00 179.45 179.23 2abi n SER 888 N -4.43 5.76 0.05 7.07 7.64 -1.26 -4.84 113.62 123.60 2abi n SER 888 Ca 0.09 -3.73 -0.11 0.00 1.01 0.00 0.00 58.87 56.14 2abi n SER 888 Cb 0.06 -0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 62.46 2abi n SER 888 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2abi h GLN 889 N 3.15 -0.31 -0.44 1.43 5.75 -1.89 -1.80 115.11 121.00 2abi h GLN 889 Ca 0.35 0.02 0.08 0.00 -0.15 0.00 0.00 58.65 58.95 2abi h GLN 889 Cb 0.48 0.07 -0.07 0.00 1.07 0.00 0.00 27.48 29.03 2abi h GLN 889 CO 1.02 -0.21 -0.02 0.00 -2.65 0.00 0.00 178.83 176.97 2abi h ALA 890 N 0.58 0.39 -0.98 3.38 0.00 -1.89 -0.25 119.26 120.48 2abi h ALA 890 Ca 0.07 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2abi h ALA 890 Cb 0.41 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 2abi h ALA 890 CO -0.21 -0.40 0.64 0.00 0.00 0.00 0.00 179.25 179.28 2abi h ALA 891 N 1.40 1.25 0.11 0.00 0.00 -1.90 -2.64 119.26 117.48 2abi h ALA 891 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2abi h ALA 891 Cb 0.32 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2abi h ALA 891 CO -0.38 0.65 -0.05 0.35 0.00 0.00 0.00 179.25 179.81 2abi h PHE 892 N 1.34 -0.14 -0.25 0.00 3.57 -0.38 -2.21 116.94 118.86 2abi h PHE 892 Ca 0.36 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.91 2abi h PHE 892 Cb -0.14 0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.60 2abi h PHE 892 CO -0.00 0.02 -0.06 0.93 -2.23 0.00 0.00 178.31 176.98 2abi h GLU 893 N -0.28 0.01 -0.54 1.11 4.39 -0.87 0.49 114.58 118.87 2abi h GLU 893 Ca -0.02 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.72 2abi h GLU 893 Cb 0.23 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 2abi h GLU 893 CO 0.03 0.00 0.31 0.93 -1.16 0.00 0.00 179.01 179.12 2abi h GLU 894 N 0.01 0.60 -0.48 2.33 4.39 -1.49 0.66 114.58 120.59 2abi h GLU 894 Ca 0.12 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 2abi h GLU 894 Cb 0.18 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2abi h GLU 894 CO -0.26 0.39 0.30 1.98 -1.16 0.00 0.00 179.01 180.27 2abi h MET 895 N 0.61 0.65 -0.41 2.33 4.05 -0.62 0.11 114.93 121.66 2abi h MET 895 Ca 0.23 -0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 59.46 2abi h MET 895 Cb 0.06 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.71 2abi h MET 895 CO -0.12 0.47 -0.28 -0.09 0.23 0.00 0.00 176.91 177.12 2abi h ARG 896 N 0.65 0.87 -0.27 0.39 2.43 0.56 -2.62 114.38 116.39 2abi h ARG 896 Ca 0.17 -0.39 -0.05 0.00 -0.81 0.00 0.00 59.98 58.90 2abi h ARG 896 Cb -0.02 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2abi h ARG 896 CO -0.03 1.04 -0.05 1.15 -1.51 0.00 0.00 179.97 180.56 2abi h THR 897 N 0.74 1.19 -0.20 0.20 2.02 0.74 -1.79 112.91 115.82 2abi h THR 897 Ca 0.09 -0.79 -0.13 0.00 0.77 0.00 0.00 66.41 66.34 2abi h THR 897 Cb 0.83 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 2abi h THR 897 CO 0.07 0.26 -0.39 0.78 0.37 0.00 0.00 175.52 176.61 2abi h ASN 898 N 0.40 0.69 -0.17 4.18 2.35 -0.53 -2.20 115.58 120.30 2abi h ASN 898 Ca 0.08 -0.55 -0.10 0.00 -0.55 0.00 0.00 56.30 55.19 2abi h ASN 898 Cb 0.35 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2abi h ASN 898 CO 0.02 1.11 -0.21 1.88 -1.65 0.00 0.00 177.43 178.57 2abi h TYR 899 N 0.30 0.69 -0.21 1.19 0.05 -1.34 0.28 116.97 117.94 2abi h TYR 899 Ca 0.01 -0.14 0.03 0.00 0.05 0.00 0.00 58.73 58.67 2abi h TYR 899 Cb 0.99 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.54 2abi h TYR 899 CO 0.09 0.78 0.03 0.82 -1.05 0.00 0.00 178.16 178.83 2abi h ILE 900 N 0.55 0.90 -0.43 -2.88 2.04 -1.28 -0.90 117.51 115.50 2abi h ILE 900 Ca 0.08 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.88 2abi h ILE 900 Cb 0.67 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2abi h ILE 900 CO 0.05 0.02 0.18 0.11 0.00 0.00 0.00 178.15 178.51 2abi h LYS 901 N 0.11 0.61 -0.64 2.37 1.57 -1.00 -2.20 116.57 117.39 2abi h LYS 901 Ca 0.09 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2abi h LYS 901 Cb 0.10 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 2abi h LYS 901 CO -0.13 0.50 0.31 1.49 -0.57 0.00 0.00 179.45 181.05 2abi h GLU 902 N 0.61 0.90 0.00 3.15 4.57 0.38 -0.62 114.58 123.57 2abi h GLU 902 Ca 0.15 -0.12 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 2abi h GLU 902 Cb 0.11 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.51 2abi h GLU 902 CO -0.02 0.70 -0.59 1.25 -1.18 0.00 0.00 179.01 179.17 2abi h LEU 903 N 0.90 0.00 -0.09 1.64 5.85 -0.73 -2.53 115.31 120.35 2abi h LEU 903 Ca 0.22 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 2abi h LEU 903 Cb 0.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 2abi h LEU 903 CO -0.03 0.59 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.56 2abi h ARG 904 N 0.00 0.16 0.00 1.25 2.43 -0.69 -2.13 114.38 115.41 2abi h ARG 904 Ca -0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2abi h ARG 904 Cb 1.12 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.66 2abi h ARG 904 CO 0.08 0.44 0.00 0.87 -1.51 0.00 0.00 179.97 179.85 2abi h LYS 905 N -0.14 0.00 -0.00 0.20 1.57 -1.13 0.52 116.57 117.59 2abi h LYS 905 Ca 0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2abi h LYS 905 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2abi h LYS 905 CO 0.01 0.00 -0.76 1.98 -0.57 0.00 0.00 179.45 180.10 2abi h MET 906 N 0.00 0.03 0.00 3.15 4.05 -0.95 -3.36 114.93 117.86 2abi h MET 906 Ca 0.00 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.28 2abi h MET 906 Cb 0.29 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 2abi h MET 906 CO 0.00 0.78 -1.45 1.33 0.23 0.00 0.00 176.91 177.80 2abi n VAL 907 N -3.66 0.39 -4.15 -5.77 0.24 -0.77 -5.04 118.33 99.58 2abi n VAL 907 Ca -0.01 -0.27 -0.15 0.00 -2.04 0.00 0.00 64.34 61.86 2abi n VAL 907 Cb 0.73 -0.62 -0.11 0.00 -1.47 0.00 0.00 33.84 32.37 2abi n VAL 907 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2abi s THR 908 N -2.23 0.92 0.00 3.34 -1.32 0.18 -4.59 115.64 111.94 2abi s THR 908 Ca -0.03 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 2abi s THR 908 Cb 0.03 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 2abi s THR 908 CO 0.29 -0.41 0.00 -0.24 -2.21 0.00 0.00 174.62 172.04 2abi n SER 917 N 0.98 0.00 0.14 8.08 2.88 -1.26 -4.81 113.62 119.62 2abi n SER 917 Ca -0.19 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.45 2abi n SER 917 Cb 0.56 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 64.07 2abi n SER 917 CO 0.00 0.00 0.00 -0.50 -1.23 0.00 0.00 175.04 173.31 2abi h TRP 918 N 0.00 0.00 -0.24 0.66 4.06 -2.01 -3.29 115.95 115.13 2abi h TRP 918 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2abi h TRP 918 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2abi h TRP 918 CO 0.00 0.08 0.00 0.94 -3.56 0.00 0.00 178.44 175.90 2abi n GLN 919 N -2.86 1.99 0.21 0.49 0.00 -1.26 -3.81 117.38 112.14 2abi n GLN 919 Ca 0.01 -1.49 0.07 0.00 -0.00 0.00 0.00 57.00 55.59 2abi n GLN 919 Cb 0.58 -1.43 0.45 0.00 0.00 0.00 0.00 30.24 29.84 2abi n GLN 919 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2abi h ARG 920 N 2.97 0.00 -0.99 3.69 2.43 -1.94 -1.95 114.38 118.59 2abi h ARG 920 Ca 0.00 0.00 0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2abi h ARG 920 Cb 0.65 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.12 2abi h ARG 920 CO 0.00 0.30 0.62 0.35 -1.51 0.00 0.00 179.97 179.73 2abi h PHE 921 N 0.00 1.13 0.00 2.20 3.57 -1.82 0.33 116.94 122.35 2abi h PHE 921 Ca -0.00 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 2abi h PHE 921 Cb 0.70 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2abi h PHE 921 CO 0.00 0.48 -0.54 1.88 -2.23 0.00 0.00 178.31 177.90 2abi h TYR 922 N 1.02 0.00 0.00 0.41 0.05 -1.63 -1.23 116.97 115.59 2abi h TYR 922 Ca 0.47 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.17 2abi h TYR 922 Cb 0.41 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 2abi h TYR 922 CO -0.01 0.54 -0.38 1.96 -1.05 0.00 0.00 178.16 179.22 2abi h GLN 923 N 0.00 0.00 0.04 4.88 4.20 -0.79 -1.98 115.11 121.46 2abi h GLN 923 Ca -0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.55 2abi h GLN 923 Cb 1.35 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 2abi h GLN 923 CO 0.07 0.38 -0.83 -0.07 -0.67 0.00 0.00 178.83 177.71 2abi h LEU 924 N 0.00 0.12 -2.04 1.46 3.38 -0.80 -3.12 115.31 114.31 2abi h LEU 924 Ca -0.00 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.17 2abi h LEU 924 Cb 0.82 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2abi h LEU 924 CO 0.05 1.35 -0.05 0.71 0.09 0.00 0.00 178.44 180.59 2abi h THR 925 N -0.80 0.22 -0.01 0.22 1.35 -1.26 0.30 112.91 112.94 2abi h THR 925 Ca -0.21 -0.40 -0.17 0.00 -0.55 0.00 0.00 66.41 65.09 2abi h THR 925 Cb 1.33 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 69.05 2abi h THR 925 CO -0.05 0.05 -0.77 0.11 -0.25 0.00 0.00 175.52 174.61 2abi h LYS 926 N 0.00 0.12 -0.27 4.72 6.56 -1.47 -2.40 116.57 123.83 2abi h LYS 926 Ca -0.00 -0.12 -0.10 0.00 -1.06 0.00 0.00 60.65 59.37 2abi h LYS 926 Cb 0.31 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.00 2abi h LYS 926 CO 0.01 0.83 -0.21 1.25 -2.06 0.00 0.00 179.45 179.26 2abi h LEU 927 N 0.08 0.66 -1.06 2.94 6.46 -0.91 -2.68 115.31 120.79 2abi h LEU 927 Ca -0.02 -0.45 0.05 0.00 -0.12 0.00 0.00 57.88 57.34 2abi h LEU 927 Cb 1.35 -0.19 -0.06 0.00 -0.73 0.00 0.00 40.66 41.04 2abi h LEU 927 CO 0.11 0.97 0.63 -0.07 -0.62 0.00 0.00 178.44 179.46 2abi h LEU 928 N 0.36 1.01 -0.75 2.25 3.38 -1.15 -1.65 115.31 118.77 2abi h LEU 928 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2abi h LEU 928 Cb 0.76 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2abi h LEU 928 CO 0.06 0.67 -0.14 0.44 0.09 0.00 0.00 178.44 179.55 2abi h ASP 929 N 1.16 0.80 -0.80 -0.43 3.32 -1.31 -2.64 116.42 116.52 2abi h ASP 929 Ca 0.41 -0.25 0.08 0.00 0.02 0.00 0.00 57.03 57.28 2abi h ASP 929 Cb 0.12 -0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.40 2abi h ASP 929 CO -0.15 0.95 0.52 0.28 -1.72 0.00 0.00 179.24 179.13 2abi h SER 930 N 0.72 0.72 -0.49 6.45 0.02 -0.97 -2.33 113.55 117.68 2abi h SER 930 Ca 0.12 0.01 0.10 0.00 -0.84 0.00 0.00 61.79 61.17 2abi h SER 930 Cb 0.63 -0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.95 2abi h SER 930 CO 0.04 0.45 -0.05 0.24 -1.14 0.00 0.00 176.83 176.37 2abi h MET 931 N 0.81 0.06 -0.93 3.45 2.86 -1.16 -0.45 114.93 119.58 2abi h MET 931 Ca 0.36 -0.00 0.20 0.00 -2.06 0.00 0.00 59.70 58.20 2abi h MET 931 Cb 0.34 -0.01 -0.07 0.00 0.06 0.00 0.00 31.60 31.91 2abi h MET 931 CO -0.13 0.04 0.61 0.45 1.06 0.00 0.00 176.91 178.94 2abi h HIS 932 N 0.07 0.64 0.74 -0.22 -0.00 -1.50 0.28 115.15 115.16 2abi h HIS 932 Ca 0.24 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.60 2abi h HIS 932 Cb 0.37 -0.20 0.01 0.00 -0.00 0.00 0.00 27.41 27.59 2abi h HIS 932 CO -0.35 0.16 -0.36 -0.44 -0.00 0.00 0.00 177.93 176.95 2abi h ASP 933 N 0.47 -0.84 -0.72 2.45 3.45 -1.14 -2.77 116.42 117.32 2abi h ASP 933 Ca 0.50 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.96 2abi h ASP 933 Cb 1.14 0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 40.09 2abi h ASP 933 CO -0.22 -0.52 0.46 0.25 -1.57 0.00 0.00 179.24 177.64 2abi h LEU 934 N -1.14 0.85 -0.90 1.55 5.85 -0.96 -2.84 115.31 117.72 2abi h LEU 934 Ca -0.10 -0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 2abi h LEU 934 Cb 0.78 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.59 2abi h LEU 934 CO 0.17 0.64 -0.47 0.58 -0.34 0.00 0.00 178.44 179.02 2abi h VAL 935 N 0.99 1.34 -0.26 1.05 2.07 -0.52 -2.22 116.25 118.71 2abi h VAL 935 Ca 0.26 -1.65 -0.00 0.00 0.82 0.00 0.00 66.70 66.13 2abi h VAL 935 Cb -0.07 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2abi h VAL 935 CO -0.05 0.49 0.14 0.28 0.02 0.00 0.00 177.57 178.45 2abi h SER 936 N 0.15 0.32 -0.06 0.57 0.02 -1.24 0.25 113.55 113.56 2abi h SER 936 Ca 0.01 -0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 2abi h SER 936 Cb 0.89 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2abi h SER 936 CO 0.07 0.30 -0.15 0.44 -1.14 0.00 0.00 176.83 176.35 2abi h ASP 937 N 0.31 0.38 -0.30 3.07 3.32 -1.50 -1.82 116.42 119.88 2abi h ASP 937 Ca 0.09 -0.10 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 2abi h ASP 937 Cb 0.05 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2abi h ASP 937 CO -0.02 0.56 -0.40 -0.07 -1.72 0.00 0.00 179.24 177.59 2abi h LEU 938 N 0.37 0.88 -0.99 1.55 3.38 -0.91 -2.87 115.31 116.72 2abi h LEU 938 Ca 0.07 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 2abi h LEU 938 Cb 0.48 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2abi h LEU 938 CO 0.03 1.20 -0.30 -0.07 0.09 0.00 0.00 178.44 179.39 2abi h LEU 939 N 0.58 0.37 -0.55 1.67 3.38 -0.77 -0.99 115.31 119.00 2abi h LEU 939 Ca 0.04 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 2abi h LEU 939 Cb 1.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2abi h LEU 939 CO 0.09 0.66 -0.14 -0.33 0.09 0.00 0.00 178.44 178.81 2abi h GLU 940 N 0.32 1.02 -0.01 1.13 5.08 -1.29 0.32 114.58 121.15 2abi h GLU 940 Ca 0.04 -0.40 -0.12 0.00 -1.00 0.00 0.00 59.36 57.88 2abi h GLU 940 Cb 0.69 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2abi h GLU 940 CO 0.05 1.08 -0.57 0.35 -1.00 0.00 0.00 179.01 178.92 2abi h PHE 941 N 0.90 0.05 -0.03 4.33 3.57 -1.29 -1.62 116.94 122.84 2abi h PHE 941 Ca 0.13 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 2abi h PHE 941 Cb 0.72 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.45 2abi h PHE 941 CO 0.05 0.60 -0.10 0.00 -2.23 0.00 0.00 178.31 176.63 2abi h PHE 943 N -0.44 0.10 0.48 0.00 0.05 -0.34 -0.22 116.94 116.56 2abi h PHE 943 Ca -0.00 -0.01 -0.02 0.00 3.82 0.00 0.00 57.97 61.76 2abi h PHE 943 Cb 0.73 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 38.65 2abi h PHE 943 CO 0.14 0.19 -0.23 -0.92 -0.18 0.00 0.00 178.31 177.31 2abi h TYR 944 N 0.10 -0.59 -0.04 -0.55 5.03 -1.24 0.15 116.97 119.83 2abi h TYR 944 Ca 0.02 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.33 2abi h TYR 944 Cb 0.21 0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.69 2abi h TYR 944 CO 0.00 -0.37 0.09 1.79 -1.32 0.00 0.00 178.16 178.36 2abi h THR 945 N -1.12 0.20 0.02 1.81 1.35 -1.16 -1.36 112.91 112.64 2abi h THR 945 Ca -0.07 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2abi h THR 945 Cb 0.49 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 2abi h THR 945 CO 0.11 0.00 -0.01 0.15 -0.25 0.00 0.00 175.52 175.52 2abi h PHE 946 N 0.00 -0.02 -0.57 4.73 3.57 -1.01 -0.64 116.94 122.99 2abi h PHE 946 Ca 0.02 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.68 2abi h PHE 946 Cb 0.20 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.93 2abi h PHE 946 CO 0.00 0.42 0.70 -0.09 -2.23 0.00 0.00 178.31 177.11 2abi h ARG 947 N -0.99 0.00 0.00 1.11 2.43 0.34 0.27 114.38 117.53 2abi h ARG 947 Ca -0.00 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2abi h ARG 947 Cb 0.45 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 29.81 2abi h ARG 947 CO 0.00 0.00 -0.74 0.39 -1.51 0.00 0.00 179.97 178.11 2abi n GLU 948 N -3.46 0.72 -0.23 0.20 1.02 -0.64 -4.93 120.64 113.33 2abi n GLU 948 Ca 0.12 -2.53 -0.04 0.00 -0.02 0.00 0.00 57.16 54.68 2abi n GLU 948 Cb 0.91 -0.77 0.02 0.00 -0.02 0.00 0.00 31.44 31.58 2abi n GLU 948 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2abi h SER 949 N 0.91 -1.13 -0.17 1.62 0.87 0.71 -2.23 113.55 114.14 2abi h SER 949 Ca -0.11 0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 2abi h SER 949 Cb 1.46 0.58 -0.01 0.00 -0.44 0.00 0.00 62.40 63.99 2abi h SER 949 CO 0.05 -0.30 0.09 0.45 -0.53 0.00 0.00 176.83 176.59 2abi h HIS 950 N -0.13 0.27 0.00 2.24 3.86 -1.84 -2.14 115.15 117.41 2abi h HIS 950 Ca 0.26 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2abi h HIS 950 Cb 0.55 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.93 2abi h HIS 950 CO -0.65 0.22 -0.42 0.00 0.86 0.00 0.00 177.93 177.93 2abi n ALA 951 N -2.50 3.09 0.97 2.45 0.00 -0.89 -3.72 120.51 119.91 2abi n ALA 951 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 53.44 53.29 2abi n ALA 951 Cb 0.12 -1.21 -0.01 0.00 0.00 0.00 0.00 19.45 18.34 2abi n ALA 951 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2abi n LEU 952 N -1.72 1.96 -1.37 0.00 4.77 -0.86 -4.96 117.00 114.81 2abi n LEU 952 Ca 0.05 -0.75 -0.16 0.00 -0.03 0.00 0.00 56.01 55.12 2abi n LEU 952 Cb 0.37 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2abi n LEU 952 CO 0.34 0.37 -0.17 1.17 -1.33 0.00 0.00 177.39 177.77 2abi n LYS 953 N -0.09 -1.16 -4.04 3.23 3.00 -0.87 -4.79 118.16 113.44 2abi n LYS 953 Ca 0.09 1.01 -0.31 0.00 -0.00 0.00 0.00 58.31 59.09 2abi n LYS 953 Cb 0.45 -5.24 -0.15 0.00 0.00 0.00 0.00 35.03 30.09 2abi n LYS 953 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2abi s VAL 954 N -2.65 2.19 0.55 3.15 0.11 -1.13 -4.77 120.40 117.85 2abi s VAL 954 Ca 0.00 -1.99 -0.02 0.00 -2.93 0.00 0.00 61.98 57.05 2abi s VAL 954 Cb 0.00 -2.47 0.02 0.00 -1.53 0.00 0.00 36.38 32.40 2abi s VAL 954 CO 0.00 -0.33 0.80 -0.70 -3.33 0.00 0.00 175.10 171.54 2abi s GLU 955 N 1.01 2.74 0.02 1.54 2.56 -1.26 -4.62 118.70 120.69 2abi s GLU 955 Ca 0.02 -0.45 0.06 0.00 0.00 0.00 0.00 54.97 54.59 2abi s GLU 955 Cb -0.19 -2.42 -0.02 0.00 2.00 0.00 0.00 34.13 33.49 2abi s GLU 955 CO -0.07 -0.64 -0.18 -0.06 -0.56 0.00 0.00 175.26 173.75 2abi s PHE 956 N -2.81 1.59 0.93 5.30 0.40 -1.26 -4.75 117.98 117.38 2abi s PHE 956 Ca 0.54 -0.33 -0.11 0.00 -0.60 0.00 0.00 56.93 56.43 2abi s PHE 956 Cb -0.10 -0.98 0.15 0.00 0.51 0.00 0.00 43.02 42.60 2abi s PHE 956 CO 0.40 0.03 1.11 -2.14 0.70 0.00 0.00 175.22 175.33 2abi s PRO 957 N -0.83 0.95 0.47 0.24 0.02 -1.26 -4.71 135.00 129.88 2abi s PRO 957 Ca 0.06 1.30 0.15 0.00 0.02 0.00 0.00 61.00 62.53 2abi s PRO 957 Cb -0.08 -1.74 1.08 0.00 0.02 0.00 0.00 34.50 33.79 2abi s PRO 957 CO 0.01 -2.59 2.03 0.00 -0.33 0.00 0.00 177.00 176.12 2abi h ALA 958 N -1.83 1.76 0.03 -1.55 0.00 -1.99 -0.71 119.26 114.98 2abi h ALA 958 Ca -0.47 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.32 2abi h ALA 958 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2abi h ALA 958 CO 0.46 0.17 -0.02 1.98 0.00 0.00 0.00 179.25 181.84 2abi h MET 959 N 0.00 -0.05 -0.41 0.00 1.85 -1.94 -1.22 114.93 113.17 2abi h MET 959 Ca -0.00 0.00 -0.15 0.00 -0.61 0.00 0.00 59.70 58.94 2abi h MET 959 Cb 0.24 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.28 2abi h MET 959 CO 0.02 0.14 -0.34 -0.07 -0.40 0.00 0.00 176.91 176.26 2abi h LEU 960 N -0.23 1.01 -1.36 3.39 4.07 -1.83 -1.48 115.31 118.88 2abi h LEU 960 Ca -0.00 -0.45 0.04 0.00 0.08 0.00 0.00 57.88 57.55 2abi h LEU 960 Cb 0.21 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.63 2abi h LEU 960 CO 0.01 1.24 0.46 0.58 -1.08 0.00 0.00 178.44 179.65 2abi h VAL 961 N 0.78 1.09 0.09 1.22 2.07 -1.09 0.16 116.25 120.59 2abi h VAL 961 Ca 0.07 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 2abi h VAL 961 Cb 0.93 0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2abi h VAL 961 CO 0.09 0.15 -0.05 -0.33 0.02 0.00 0.00 177.57 177.45 2abi h GLU 962 N 0.83 -0.12 -0.00 1.57 3.07 -1.03 -1.99 114.58 116.90 2abi h GLU 962 Ca 0.28 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.17 2abi h GLU 962 Cb 0.09 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 27.98 2abi h GLU 962 CO -0.08 0.32 -0.38 0.82 -1.40 0.00 0.00 179.01 178.29 2abi h ILE 963 N -0.62 0.00 -0.40 3.13 2.04 -0.52 -2.01 117.51 119.13 2abi h ILE 963 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.90 2abi h ILE 963 Cb 0.50 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.53 2abi h ILE 963 CO 0.02 0.00 0.11 0.40 0.00 0.00 0.00 178.15 178.68 2abi h ILE 964 N -0.47 0.84 -0.19 -0.67 2.04 -0.81 0.84 117.51 119.09 2abi h ILE 964 Ca 0.01 -0.09 0.05 0.00 1.00 0.00 0.00 64.86 65.84 2abi h ILE 964 Cb 0.51 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 2abi h ILE 964 CO -0.25 0.05 -0.30 0.28 0.00 0.00 0.00 178.15 177.92 2abi h SER 965 N 0.25 -0.96 0.57 1.72 0.02 -1.08 -0.57 113.55 113.51 2abi h SER 965 Ca 0.19 0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 61.19 2abi h SER 965 Cb 0.20 0.42 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 2abi h SER 965 CO -0.22 -0.34 -0.47 0.44 -1.14 0.00 0.00 176.83 175.11 2abi h ASP 966 N -0.35 0.00 -0.23 3.07 3.32 -1.14 -3.26 116.42 117.84 2abi h ASP 966 Ca 0.11 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.09 2abi h ASP 966 Cb 0.53 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.07 2abi h ASP 966 CO -0.38 0.47 -0.13 -0.61 -1.72 0.00 0.00 179.24 176.86 2abi h GLN 967 N 0.00 0.49 -0.62 3.56 4.15 0.07 -3.28 115.11 119.48 2abi h GLN 967 Ca -0.00 -0.22 0.13 0.00 0.77 0.00 0.00 58.65 59.32 2abi h GLN 967 Cb 0.88 -0.01 -0.12 0.00 0.21 0.00 0.00 27.48 28.44 2abi h GLN 967 CO 0.06 0.78 -0.15 -0.07 -1.93 0.00 0.00 178.83 177.52 2abi h LEU 968 N 0.20 -0.56 -2.05 -2.39 4.07 -1.17 -0.07 115.31 113.33 2abi h LEU 968 Ca 0.05 0.19 0.08 0.00 0.08 0.00 0.00 57.88 58.27 2abi h LEU 968 Cb 0.64 0.38 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 2abi h LEU 968 CO 0.04 -0.20 0.21 -0.65 -1.08 0.00 0.00 178.44 176.76 2abi h PRO 969 N 0.01 0.00 -0.59 1.13 0.11 -1.70 -0.55 132.00 130.41 2abi h PRO 969 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 2abi h PRO 969 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2abi h PRO 969 CO -0.64 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 177.51 2abi n LYS 970 N -4.33 3.07 0.00 1.05 2.85 -0.14 -4.79 118.16 115.87 2abi n LYS 970 Ca 0.04 -2.59 0.00 0.00 -1.05 0.00 0.00 58.31 54.71 2abi n LYS 970 Cb 0.37 -1.60 0.00 0.00 -0.65 0.00 0.00 35.03 33.15 2abi n LYS 970 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2abi n VAL 971 N 1.09 0.00 0.00 0.58 0.31 -0.36 -2.69 118.33 117.26 2abi n VAL 971 Ca 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 2abi n VAL 971 Cb 0.66 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 2abi n VAL 971 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2abi n GLU 972 N -1.80 0.00 0.00 5.55 4.07 -0.36 -3.45 120.64 124.65 2abi n GLU 972 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2abi n GLU 972 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2abi n GLU 972 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 2abi n SER 973 N -2.96 0.00 -1.81 4.31 3.41 -1.26 -4.93 113.62 110.38 2abi n SER 973 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.63 2abi n SER 973 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2abi n SER 973 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2abi n GLY 974 N 2.79 1.82 0.14 5.00 0.00 -1.22 -4.83 105.19 108.89 2abi n GLY 974 Ca 0.00 -1.03 0.03 0.00 0.00 0.00 0.00 46.02 45.03 2abi n GLY 974 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2abi h ASN 975 N 1.49 0.00 -4.12 1.61 -0.26 -1.79 -3.46 115.58 109.05 2abi h ASN 975 Ca -0.16 0.00 -0.48 0.00 -0.56 0.00 0.00 56.30 55.10 2abi h ASN 975 Cb 1.63 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 38.93 2abi h ASN 975 CO 0.14 0.46 0.38 0.00 -1.06 0.00 0.00 177.43 177.35 2abi s ALA 976 N -2.98 2.84 -0.37 -0.83 0.00 -1.09 0.13 121.76 119.44 2abi s ALA 976 Ca 0.04 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.51 2abi s ALA 976 Cb 0.07 -3.24 0.14 0.00 0.00 0.00 0.00 23.12 20.10 2abi s ALA 976 CO 0.74 -0.48 0.23 0.21 0.00 0.00 0.00 175.76 176.46 2abi s LYS 977 N -3.59 0.71 0.42 0.00 2.20 -0.06 -4.58 119.74 114.84 2abi s LYS 977 Ca 0.65 -1.51 -0.27 0.00 -0.36 0.00 0.00 55.97 54.48 2abi s LYS 977 Cb -0.16 -1.49 -0.10 0.00 -1.51 0.00 0.00 37.83 34.57 2abi s LYS 977 CO 0.27 -1.22 1.47 -2.30 -0.36 0.00 0.00 175.35 173.21 2abi n PRO 978 N 3.85 2.47 -3.83 4.03 -0.02 -1.26 -2.49 135.00 137.75 2abi n PRO 978 Ca 0.13 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 62.12 2abi n PRO 978 Cb 0.37 -2.66 -0.13 0.00 -0.02 0.00 0.00 33.50 31.06 2abi n PRO 978 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2abi s LEU 979 N -2.42 4.07 0.29 2.45 1.43 0.23 -4.95 118.68 119.78 2abi s LEU 979 Ca 0.57 -1.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 2abi s LEU 979 Cb -0.46 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2abi s LEU 979 CO 0.61 -0.28 0.51 -0.31 0.23 0.00 0.00 176.35 177.10 2abi s TYR 980 N 1.34 3.49 -0.10 0.29 2.02 -1.26 -4.88 117.35 118.25 2abi s TYR 980 Ca -0.03 0.43 0.21 0.00 -0.37 0.00 0.00 57.07 57.31 2abi s TYR 980 Cb -0.19 -1.95 -0.25 0.00 -0.40 0.00 0.00 41.96 39.17 2abi s TYR 980 CO 0.01 0.20 0.54 1.19 -1.57 0.00 0.00 175.55 175.92 2abi n PHE 981 N -1.26 0.27 -0.37 2.71 3.72 -1.26 -5.12 117.46 116.15 2abi n PHE 981 Ca -0.04 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2abi n PHE 981 Cb 0.55 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 2abi n PHE 981 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43