#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 -0.03 -0.06 -1.46 0.11 -2.05 -2.08 132.00 126.44 2abi h PRO 738 Ca 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 2abi h PRO 738 Cb 0.00 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2abi h PRO 738 CO 0.00 0.31 -0.60 -0.24 -0.21 0.00 0.00 178.00 177.27 2abi h VAL 739 N -0.37 1.39 -0.61 3.15 3.04 -1.99 -2.65 116.25 118.22 2abi h VAL 739 Ca -0.00 -1.98 -0.02 0.00 -1.01 0.00 0.00 66.70 63.69 2abi h VAL 739 Cb 0.35 2.01 -0.03 0.00 -2.01 0.00 0.00 31.29 31.62 2abi h VAL 739 CO 0.00 0.58 0.32 -0.03 -1.01 0.00 0.00 177.57 177.43 2abi h MET 740 N 0.14 0.86 0.00 4.17 -1.53 -2.00 -2.51 114.93 114.06 2abi h MET 740 Ca -0.01 -0.11 -0.11 0.00 -3.44 0.00 0.00 59.70 56.03 2abi h MET 740 Cb 1.09 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.96 2abi h MET 740 CO 0.09 0.67 -0.54 -0.24 0.14 0.00 0.00 176.91 177.03 2abi h VAL 741 N 0.83 1.09 -0.36 -5.77 3.04 -1.33 -3.07 116.25 110.68 2abi h VAL 741 Ca 0.21 -2.09 -0.04 0.00 -1.01 0.00 0.00 66.70 63.78 2abi h VAL 741 Cb 0.08 2.23 -0.02 0.00 -2.01 0.00 0.00 31.29 31.57 2abi h VAL 741 CO -0.03 0.53 0.06 -0.07 -1.01 0.00 0.00 177.57 177.05 2abi h LEU 742 N 0.00 0.49 -0.09 3.16 3.38 -1.08 -1.93 115.31 119.24 2abi h LEU 742 Ca -0.01 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 2abi h LEU 742 Cb 1.19 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2abi h LEU 742 CO 0.07 0.52 -0.34 -0.08 0.09 0.00 0.00 178.44 178.70 2abi h GLU 743 N 0.52 0.39 0.00 1.13 4.22 -1.42 -3.21 114.58 116.21 2abi h GLU 743 Ca 0.12 -0.30 -0.02 0.00 0.08 0.00 0.00 59.36 59.24 2abi h GLU 743 Cb 0.25 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2abi h GLU 743 CO 0.00 0.93 -0.10 -0.97 -2.18 0.00 0.00 179.01 176.69 2abi h ASN 744 N -0.07 0.00 -0.50 1.04 -0.73 -1.41 -2.55 115.58 111.36 2abi h ASN 744 Ca -0.02 0.00 -0.00 0.00 1.87 0.00 0.00 56.30 58.15 2abi h ASN 744 Cb 0.98 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.57 2abi h ASN 744 CO 0.07 0.10 0.00 2.30 -0.37 0.00 0.00 177.43 179.54 2abi n ILE 745 N -3.95 2.41 -2.63 2.57 -5.35 -0.75 -4.93 119.36 106.72 2abi n ILE 745 Ca -0.02 -1.22 -0.43 0.00 -0.27 0.00 0.00 62.75 60.81 2abi n ILE 745 Cb 0.19 -0.31 -0.02 0.00 -1.74 0.00 0.00 39.64 37.76 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 -2.53 4.27 1.05 6.28 2.56 -0.96 -4.66 118.70 124.69 2abi s GLU 746 Ca 0.47 1.40 -0.16 0.00 0.00 0.00 0.00 54.97 56.69 2abi s GLU 746 Cb 0.36 -3.65 0.09 0.00 2.00 0.00 0.00 34.13 32.93 2abi s GLU 746 CO 0.14 -0.62 0.25 -2.30 -0.56 0.00 0.00 175.26 172.16 2abi n PRO 747 N 6.28 -1.07 -2.55 4.30 -0.02 -1.26 -5.03 135.00 135.65 2abi n PRO 747 Ca 0.12 -0.28 -0.23 0.00 -2.02 0.00 0.00 63.50 61.09 2abi n PRO 747 Cb 0.46 -1.80 0.04 0.00 -0.02 0.00 0.00 33.50 32.18 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 -3.60 2.56 -0.16 -0.52 1.03 -1.26 -5.04 118.70 111.71 2abi s GLU 748 Ca 0.57 -0.54 -0.28 0.00 0.03 0.00 0.00 54.97 54.75 2abi s GLU 748 Cb -0.17 -2.40 -0.01 0.00 -0.80 0.00 0.00 34.13 30.76 2abi s GLU 748 CO 0.66 -0.79 0.94 0.42 -1.33 0.00 0.00 175.26 175.17 2abi s ILE 749 N -2.88 4.80 0.18 1.83 1.09 -1.26 -5.03 121.20 119.92 2abi s ILE 749 Ca 0.57 1.87 -0.12 0.00 -1.10 0.00 0.00 60.65 61.87 2abi s ILE 749 Cb -0.10 -4.24 -0.07 0.00 -1.06 0.00 0.00 42.46 36.99 2abi s ILE 749 CO 0.41 -0.02 0.54 -0.69 -0.10 0.00 0.00 174.94 175.07 2abi s VAL 750 N 2.31 4.91 -0.01 2.92 1.01 -1.26 -4.98 120.40 125.29 2abi s VAL 750 Ca 0.43 0.65 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 2abi s VAL 750 Cb -0.17 -3.68 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 2abi s VAL 750 CO 0.13 0.12 0.42 -0.31 0.00 0.00 0.00 175.10 175.46 2abi s TYR 751 N -1.60 3.71 0.22 5.22 1.51 -1.26 -4.29 117.35 120.85 2abi s TYR 751 Ca 0.41 0.99 -0.06 0.00 -1.01 0.00 0.00 57.07 57.41 2abi s TYR 751 Cb -0.13 -2.33 0.19 0.00 -0.11 0.00 0.00 41.96 39.57 2abi s TYR 751 CO 0.20 0.58 1.70 0.00 -1.11 0.00 0.00 175.55 176.92 2abi h ALA 752 N 4.95 0.96 -0.18 3.71 0.00 -1.92 -3.47 119.26 123.31 2abi h ALA 752 Ca -0.50 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2abi h ALA 752 Cb 1.21 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2abi h ALA 752 CO 0.63 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.93 2abi n GLY 753 N -0.53 1.14 3.75 0.00 0.00 -1.26 -4.55 105.19 103.73 2abi n GLY 753 Ca 0.03 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.18 2.35 0.06 1.61 5.04 -1.26 -5.11 117.35 117.86 2abi s TYR 754 Ca 0.00 1.60 0.00 0.00 -2.44 0.00 0.00 57.07 56.23 2abi s TYR 754 Cb 0.00 -3.23 0.00 0.00 0.35 0.00 0.00 41.96 39.08 2abi s TYR 754 CO 0.00 -2.07 0.00 -3.47 -1.34 0.00 0.00 175.55 168.67 2abi n ASP 755 N -3.01 0.07 -2.66 4.32 4.64 -1.26 -5.12 116.55 113.53 2abi n ASP 755 Ca 0.11 0.10 -0.04 0.00 -1.38 0.00 0.00 54.79 53.58 2abi n ASP 755 Cb 0.52 0.05 0.12 0.00 -1.04 0.00 0.00 41.12 40.77 2abi n ASP 755 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 2abi n ASP 760 N -2.77 -1.61 -4.55 1.67 2.03 -1.26 -5.24 116.55 104.83 2abi n ASP 760 Ca 0.00 -2.28 -0.27 0.00 0.52 0.00 0.00 54.79 52.75 2abi n ASP 760 Cb 0.00 0.81 0.13 0.00 -0.72 0.00 0.00 41.12 41.34 2abi n ASP 760 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2abi s THR 761 N 0.15 2.11 0.15 5.18 -4.23 -1.26 -4.88 115.64 112.86 2abi s THR 761 Ca 0.14 -0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 60.32 2abi s THR 761 Cb 0.42 -2.89 0.01 0.00 1.34 0.00 0.00 72.50 71.38 2abi s THR 761 CO -0.11 0.00 1.57 0.00 -0.54 0.00 0.00 174.62 175.54 2abi h ALA 762 N -1.04 0.68 -0.58 3.99 0.00 -1.88 -1.15 119.26 119.28 2abi h ALA 762 Ca -0.43 -0.34 0.12 0.00 0.00 0.00 0.00 54.91 54.26 2abi h ALA 762 Cb 1.27 -0.18 -0.10 0.00 0.00 0.00 0.00 17.79 18.79 2abi h ALA 762 CO 0.47 0.58 -0.02 1.05 0.00 0.00 0.00 179.25 181.33 2abi h GLU 763 N 0.80 0.09 -0.03 0.00 -0.00 -1.88 -0.71 114.58 112.85 2abi h GLU 763 Ca 0.13 -0.01 -0.23 0.00 -0.00 0.00 0.00 59.36 59.25 2abi h GLU 763 Cb 0.66 -0.02 0.01 0.00 -0.00 0.00 0.00 28.75 29.40 2abi h GLU 763 CO 0.05 0.06 -0.93 -0.91 -0.00 0.00 0.00 179.01 177.28 2abi h ASN 764 N 0.10 0.71 0.16 3.06 4.21 -1.81 -2.95 115.58 119.05 2abi h ASN 764 Ca 0.30 -0.54 -0.01 0.00 1.21 0.00 0.00 56.30 57.25 2abi h ASN 764 Cb 0.47 -0.22 0.00 0.00 -1.12 0.00 0.00 38.32 37.45 2abi h ASN 764 CO -0.51 1.34 -0.08 -0.07 -1.29 0.00 0.00 177.43 176.82 2abi h LEU 765 N 0.34 -0.18 -0.55 1.61 4.07 -0.73 -0.57 115.31 119.29 2abi h LEU 765 Ca -0.09 -0.06 0.03 0.00 0.08 0.00 0.00 57.88 57.85 2abi h LEU 765 Cb 1.56 0.05 -0.04 0.00 1.08 0.00 0.00 40.66 43.30 2abi h LEU 765 CO 0.17 -0.06 0.32 -0.07 -1.08 0.00 0.00 178.44 177.72 2abi h LEU 766 N -0.29 0.50 -0.80 1.67 4.07 -1.25 -0.79 115.31 118.43 2abi h LEU 766 Ca -0.02 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 2abi h LEU 766 Cb 0.23 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 41.84 2abi h LEU 766 CO 0.04 0.35 0.49 0.28 -1.08 0.00 0.00 178.44 178.52 2abi h SER 767 N 0.63 0.95 -0.59 -0.43 0.02 -1.42 -1.62 113.55 111.09 2abi h SER 767 Ca 0.23 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2abi h SER 767 Cb 0.07 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.34 2abi h SER 767 CO -0.12 0.72 0.30 0.74 -1.14 0.00 0.00 176.83 177.33 2abi h THR 768 N 1.09 1.20 -0.35 -2.27 2.02 -0.42 -2.08 112.91 112.09 2abi h THR 768 Ca 0.29 -0.54 -0.10 0.00 0.77 0.00 0.00 66.41 66.82 2abi h THR 768 Cb -0.06 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2abi h THR 768 CO -0.06 0.23 -0.19 -0.07 0.37 0.00 0.00 175.52 175.80 2abi h LEU 769 N 0.86 0.77 -1.10 2.58 3.38 -0.37 -1.91 115.31 119.52 2abi h LEU 769 Ca 0.21 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 2abi h LEU 769 Cb 0.07 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2abi h LEU 769 CO -0.03 1.02 0.04 0.78 0.09 0.00 0.00 178.44 180.33 2abi h ASN 770 N 0.52 0.63 -0.48 -0.43 2.35 -1.07 0.13 115.58 117.23 2abi h ASN 770 Ca 0.08 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2abi h ASN 770 Cb 0.73 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 2abi h ASN 770 CO 0.06 0.68 0.24 -0.09 -1.65 0.00 0.00 177.43 176.66 2abi h ARG 771 N 0.64 0.69 -0.52 0.81 2.43 -1.22 -1.87 114.38 115.34 2abi h ARG 771 Ca 0.14 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2abi h ARG 771 Cb 0.35 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2abi h ARG 771 CO 0.01 0.58 0.34 1.25 -1.51 0.00 0.00 179.97 180.64 2abi h LEU 772 N 0.64 0.61 -1.66 3.80 5.85 -0.65 -1.50 115.31 122.40 2abi h LEU 772 Ca 0.17 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.93 2abi h LEU 772 Cb 0.11 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 2abi h LEU 772 CO -0.02 0.45 0.35 0.00 -0.34 0.00 0.00 178.44 178.87 2abi h ALA 773 N 1.19 1.95 0.01 1.25 0.00 -0.46 0.89 119.26 124.09 2abi h ALA 773 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2abi h ALA 773 Cb -0.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2abi h ALA 773 CO -0.04 -0.05 -0.01 0.78 0.00 0.00 0.00 179.25 179.93 2abi h GLY 774 N 0.41 -0.02 0.69 0.00 0.00 -0.77 0.48 103.07 103.87 2abi h GLY 774 Ca 0.23 0.01 0.06 0.00 0.00 0.00 0.00 47.33 47.63 2abi h GLY 774 CO -0.06 -0.01 0.43 0.50 0.00 0.00 0.00 176.54 177.40 2abi h LYS 775 N -0.77 0.76 -0.41 4.80 1.57 -0.71 -2.37 116.57 119.43 2abi h LYS 775 Ca -0.00 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2abi h LYS 775 Cb 0.73 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2abi h LYS 775 CO 0.00 0.50 0.10 1.96 -0.57 0.00 0.00 179.45 181.44 2abi h GLN 776 N 0.78 0.65 0.00 3.15 4.20 0.78 -2.94 115.11 121.74 2abi h GLN 776 Ca 0.33 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 2abi h GLN 776 Cb 0.19 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2abi h GLN 776 CO -0.18 0.67 -0.05 0.52 -0.67 0.00 0.00 178.83 179.12 2abi h MET 777 N 0.52 0.00 -0.83 1.46 2.86 -0.41 -1.27 114.93 117.26 2abi h MET 777 Ca 0.13 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.76 2abi h MET 777 Cb 0.31 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.93 2abi h MET 777 CO 0.00 0.05 0.50 0.82 1.06 0.00 0.00 176.91 179.34 2abi h ILE 778 N 0.00 1.23 -0.13 -1.22 5.03 -1.25 -2.43 117.51 118.75 2abi h ILE 778 Ca -0.00 -0.53 -0.13 0.00 -0.12 0.00 0.00 64.86 64.08 2abi h ILE 778 Cb 0.09 0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 33.94 2abi h ILE 778 CO 0.01 0.25 -0.50 1.56 -0.68 0.00 0.00 178.15 178.79 2abi h GLN 779 N 1.15 0.33 -0.78 2.37 1.08 -1.28 -3.06 115.11 114.91 2abi h GLN 779 Ca 0.30 -0.19 0.05 0.00 -1.45 0.00 0.00 58.65 57.36 2abi h GLN 779 Cb -0.03 0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.36 2abi h GLN 779 CO -0.05 0.76 0.48 0.28 -0.95 0.00 0.00 178.83 179.35 2abi h VAL 780 N 0.27 1.06 -0.46 -0.54 2.07 -0.95 -0.97 116.25 116.71 2abi h VAL 780 Ca 0.01 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.13 2abi h VAL 780 Cb 0.97 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 2abi h VAL 780 CO 0.08 0.17 -0.09 0.58 0.02 0.00 0.00 177.57 178.33 2abi h VAL 781 N 0.91 1.26 -0.61 2.57 2.07 -1.44 0.18 116.25 121.19 2abi h VAL 781 Ca 0.33 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 2abi h VAL 781 Cb 0.11 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 2abi h VAL 781 CO -0.15 0.40 0.20 0.11 0.02 0.00 0.00 177.57 178.15 2abi h LYS 782 N 0.75 0.91 0.55 1.57 1.57 -1.27 0.17 116.57 120.83 2abi h LYS 782 Ca 0.13 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 2abi h LYS 782 Cb 0.58 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.75 2abi h LYS 782 CO 0.04 0.78 -0.27 2.35 -0.57 0.00 0.00 179.45 181.78 2abi h TRP 783 N 0.89 -0.69 -0.27 -1.35 7.01 -0.72 -3.06 115.95 117.76 2abi h TRP 783 Ca 0.20 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.26 2abi h TRP 783 Cb 0.24 0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.52 2abi h TRP 783 CO 0.02 -0.43 0.37 0.00 -2.79 0.00 0.00 178.44 175.61 2abi h ALA 784 N -1.37 1.87 0.00 2.65 0.00 -0.53 -1.37 119.26 120.50 2abi h ALA 784 Ca -0.08 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 2abi h ALA 784 Cb 0.57 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2abi h ALA 784 CO 0.12 -0.51 -0.13 -0.22 0.00 0.00 0.00 179.25 178.51 2abi h LYS 785 N 0.00 0.00 0.00 0.00 3.64 -0.54 -2.82 116.57 116.85 2abi h LYS 785 Ca 0.13 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 2abi h LYS 785 Cb 0.87 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2abi h LYS 785 CO -0.00 0.13 -0.34 1.33 -2.27 0.00 0.00 179.45 178.31 2abi n VAL 786 N -4.24 1.86 -2.78 2.00 0.24 -0.53 -4.78 118.33 110.10 2abi n VAL 786 Ca -0.03 -2.59 -0.42 0.00 -2.04 0.00 0.00 64.34 59.27 2abi n VAL 786 Cb 0.21 -0.13 -0.03 0.00 -1.47 0.00 0.00 33.84 32.41 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 -2.76 4.17 0.24 1.34 2.96 -1.06 -4.98 118.68 118.59 2abi s LEU 787 Ca 0.34 1.32 -0.30 0.00 -0.22 0.00 0.00 54.13 55.26 2abi s LEU 787 Cb 0.32 -3.40 -0.14 0.00 0.50 0.00 0.00 46.19 43.47 2abi s LEU 787 CO -0.03 -0.49 1.17 -2.65 -1.32 0.00 0.00 176.35 173.03 2abi n PRO 788 N 5.48 1.48 0.00 0.98 -0.02 -1.26 -1.24 135.00 140.42 2abi n PRO 788 Ca 0.08 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 2abi n PRO 788 Cb 0.48 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 1.67 1.34 0.24 -1.23 0.00 -1.26 -4.51 105.19 101.44 2abi n GLY 789 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 0.46 -0.44 1.61 3.57 -1.88 -1.92 116.94 118.34 2abi h PHE 790 Ca 0.00 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2abi h PHE 790 Cb 0.00 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.60 2abi h PHE 790 CO 0.00 0.15 0.29 1.57 -2.23 0.00 0.00 178.31 178.09 2abi h LYS 791 N 0.46 0.40 -0.10 1.11 2.10 -1.35 -1.80 116.57 117.40 2abi h LYS 791 Ca 0.30 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2abi h LYS 791 Cb 0.34 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 2abi h LYS 791 CO -0.27 0.27 0.00 0.09 -2.00 0.00 0.00 179.45 177.53 2abi n ASN 792 N -4.48 0.66 -4.88 7.07 3.02 -0.72 -4.85 115.26 111.08 2abi n ASN 792 Ca 0.05 -1.78 -0.29 0.00 -0.03 0.00 0.00 54.58 52.53 2abi n ASN 792 Cb 0.20 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.29 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 -1.27 3.70 0.48 3.41 1.43 -0.68 -5.00 118.68 120.75 2abi s LEU 793 Ca 0.18 1.10 -0.24 0.00 -1.03 0.00 0.00 54.13 54.15 2abi s LEU 793 Cb 0.09 -4.03 -0.08 0.00 0.03 0.00 0.00 46.19 42.21 2abi s LEU 793 CO 0.14 -0.51 1.34 -0.81 0.23 0.00 0.00 176.35 176.74 2abi n PRO 794 N -1.75 1.93 -0.21 1.29 -0.04 -1.26 -4.74 135.00 130.21 2abi n PRO 794 Ca 0.02 0.69 0.01 0.00 -0.04 0.00 0.00 63.50 64.19 2abi n PRO 794 Cb 0.54 -2.52 0.10 0.00 -0.04 0.00 0.00 33.50 31.58 2abi n PRO 794 CO 0.00 0.00 0.00 1.37 -0.04 0.00 0.00 175.50 176.83 2abi h LEU 795 N 1.90 -0.40 -0.47 1.53 -0.00 -1.94 -1.53 115.31 114.40 2abi h LEU 795 Ca -0.50 0.17 0.06 0.00 -0.00 0.00 0.00 57.88 57.62 2abi h LEU 795 Cb 1.29 0.33 -0.09 0.00 -0.00 0.00 0.00 40.66 42.19 2abi h LEU 795 CO 0.59 -0.16 -0.53 -0.33 -0.00 0.00 0.00 178.44 178.01 2abi h GLU 796 N 0.07 -0.33 -0.88 0.17 3.07 -2.00 0.50 114.58 115.18 2abi h GLU 796 Ca 0.33 0.02 0.10 0.00 -0.50 0.00 0.00 59.36 59.31 2abi h GLU 796 Cb 0.54 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.45 2abi h GLU 796 CO -0.59 -0.22 0.52 -0.44 -1.40 0.00 0.00 179.01 176.88 2abi h ASP 797 N -0.34 0.76 0.45 1.42 3.32 -1.67 -1.22 116.42 119.13 2abi h ASP 797 Ca 0.10 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2abi h ASP 797 Cb 0.58 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2abi h ASP 797 CO -0.63 0.43 -0.37 1.56 -1.72 0.00 0.00 179.24 178.51 2abi h GLN 798 N 0.87 -0.79 -0.53 3.56 4.20 -0.07 0.32 115.11 122.67 2abi h GLN 798 Ca 0.42 0.05 -0.05 0.00 0.06 0.00 0.00 58.65 59.14 2abi h GLN 798 Cb 0.37 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 2abi h GLN 798 CO -0.24 -0.53 0.12 0.82 -0.67 0.00 0.00 178.83 178.33 2abi h ILE 799 N -0.82 1.22 -0.58 2.54 1.08 -1.06 -1.46 117.51 118.43 2abi h ILE 799 Ca -0.04 -0.80 -0.03 0.00 -0.39 0.00 0.00 64.86 63.60 2abi h ILE 799 Cb 0.71 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.12 2abi h ILE 799 CO -0.02 0.30 0.25 0.74 -0.69 0.00 0.00 178.15 178.73 2abi h THR 800 N 0.78 1.20 -0.07 -0.27 2.02 -0.98 -0.14 112.91 115.45 2abi h THR 800 Ca 0.17 -0.60 -0.17 0.00 0.77 0.00 0.00 66.41 66.58 2abi h THR 800 Cb 0.29 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.19 2abi h THR 800 CO -0.00 0.24 -0.69 -0.07 0.37 0.00 0.00 175.52 175.37 2abi h LEU 801 N 0.82 0.38 -0.19 2.58 4.07 -0.27 -2.58 115.31 120.12 2abi h LEU 801 Ca 0.20 -0.24 -0.09 0.00 0.08 0.00 0.00 57.88 57.83 2abi h LEU 801 Cb 0.13 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 2abi h LEU 801 CO -0.02 0.95 -0.22 0.40 -1.08 0.00 0.00 178.44 178.47 2abi h ILE 802 N 0.22 1.34 -0.20 1.22 2.04 -0.57 -2.83 117.51 118.72 2abi h ILE 802 Ca -0.02 -1.40 -0.08 0.00 1.00 0.00 0.00 64.86 64.36 2abi h ILE 802 Cb 1.24 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 2abi h ILE 802 CO 0.11 0.43 -0.21 1.56 0.00 0.00 0.00 178.15 180.04 2abi h GLN 803 N 0.14 0.36 0.00 2.37 4.20 -1.08 -1.23 115.11 119.87 2abi h GLN 803 Ca 0.03 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 2abi h GLN 803 Cb 0.78 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.52 2abi h GLN 803 CO 0.05 0.56 -0.16 1.88 -0.67 0.00 0.00 178.83 180.49 2abi h TYR 804 N 0.32 0.00 -0.02 2.96 0.05 -1.44 -3.32 116.97 115.53 2abi h TYR 804 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2abi h TYR 804 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 2abi h TYR 804 CO 0.01 0.16 0.00 -1.13 -1.05 0.00 0.00 178.16 176.16 2abi n SER 805 N -3.23 1.58 -0.35 3.88 3.41 -1.07 -4.78 113.62 113.07 2abi n SER 805 Ca 0.01 -1.52 0.24 0.00 -0.26 0.00 0.00 58.87 57.34 2abi n SER 805 Cb 0.47 -0.01 0.49 0.00 -0.26 0.00 0.00 64.21 64.90 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 0.18 0.80 -0.03 7.33 5.08 -1.34 0.12 115.95 128.08 2abi h TRP 806 Ca 0.00 0.03 -0.21 0.00 1.08 0.00 0.00 58.89 59.79 2abi h TRP 806 Cb 0.28 -0.22 0.00 0.00 -3.00 0.00 0.00 29.16 26.22 2abi h TRP 806 CO 0.01 -0.05 -0.86 1.98 -1.28 0.00 0.00 178.44 178.23 2abi h MET 807 N 0.37 0.43 -0.52 0.12 4.05 -1.87 -1.92 114.93 115.58 2abi h MET 807 Ca 0.68 -0.42 -0.05 0.00 -0.28 0.00 0.00 59.70 59.63 2abi h MET 807 Cb 1.67 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 32.55 2abi h MET 807 CO -0.45 1.07 0.13 0.00 0.23 0.00 0.00 176.91 177.90 2abi h LEU 809 N 0.73 0.66 0.02 0.00 4.07 -1.16 -1.81 115.31 117.83 2abi h LEU 809 Ca 0.17 -0.32 -0.00 0.00 0.08 0.00 0.00 57.88 57.81 2abi h LEU 809 Cb 0.33 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 41.88 2abi h LEU 809 CO 0.00 1.02 -0.01 0.28 -1.08 0.00 0.00 178.44 178.65 2abi h SER 810 N 0.49 -0.02 -0.08 -0.43 0.02 -1.24 -1.27 113.55 111.02 2abi h SER 810 Ca 0.03 -0.48 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 2abi h SER 810 Cb 0.99 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2abi h SER 810 CO 0.09 0.48 -0.00 -1.28 -1.14 0.00 0.00 176.83 174.98 2abi h SER 811 N -0.53 -0.04 0.01 3.07 0.87 -1.25 -0.03 113.55 115.65 2abi h SER 811 Ca -0.00 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2abi h SER 811 Cb 0.51 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.48 2abi h SER 811 CO 0.00 -0.01 -0.09 0.15 -0.53 0.00 0.00 176.83 176.36 2abi h PHE 812 N 0.02 -0.22 -0.76 2.24 3.57 -1.37 -0.84 116.94 119.59 2abi h PHE 812 Ca 0.04 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 2abi h PHE 812 Cb 0.05 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 2abi h PHE 812 CO -0.12 -0.13 0.37 0.00 -2.23 0.00 0.00 178.31 176.20 2abi h ALA 813 N 0.82 0.98 -0.66 2.41 0.00 -1.11 -1.60 119.26 120.10 2abi h ALA 813 Ca 0.03 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2abi h ALA 813 Cb 0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2abi h ALA 813 CO -0.08 0.54 0.43 1.25 0.00 0.00 0.00 179.25 181.40 2abi h LEU 814 N 1.07 0.76 -0.77 0.00 5.85 -0.63 -1.13 115.31 120.46 2abi h LEU 814 Ca 0.26 -0.02 -0.13 0.00 0.84 0.00 0.00 57.88 58.83 2abi h LEU 814 Cb 0.11 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 2abi h LEU 814 CO -0.03 0.56 -0.51 -1.28 -0.34 0.00 0.00 178.44 176.84 2abi h SER 815 N 0.90 0.29 -0.20 1.25 0.87 -0.50 -2.28 113.55 113.89 2abi h SER 815 Ca 0.24 -0.14 -0.16 0.00 -1.23 0.00 0.00 61.79 60.50 2abi h SER 815 Cb -0.10 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 61.78 2abi h SER 815 CO -0.05 0.75 -0.50 -0.25 -0.53 0.00 0.00 176.83 176.25 2abi h TRP 816 N 0.21 0.88 -0.54 2.24 2.91 -0.53 -2.67 115.95 118.45 2abi h TRP 816 Ca 0.01 -0.34 -0.09 0.00 1.13 0.00 0.00 58.89 59.60 2abi h TRP 816 Cb 0.97 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 29.44 2abi h TRP 816 CO 0.02 1.13 -0.02 0.00 -1.03 0.00 0.00 178.44 178.54 2abi h ARG 817 N 0.38 0.95 -0.91 2.65 3.08 -1.19 -2.14 114.38 117.20 2abi h ARG 817 Ca -0.01 -0.29 0.05 0.00 0.07 0.00 0.00 59.98 59.80 2abi h ARG 817 Cb 1.11 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 31.01 2abi h ARG 817 CO 0.11 0.95 0.58 0.77 -1.07 0.00 0.00 179.97 181.31 2abi h SER 818 N 0.87 0.95 0.81 7.04 0.02 -1.40 -2.03 113.55 119.80 2abi h SER 818 Ca 0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 2abi h SER 818 Cb 0.54 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 62.88 2abi h SER 818 CO 0.03 0.63 -0.39 0.22 -1.14 0.00 0.00 176.83 176.18 2abi h TYR 819 N 1.10 -1.01 0.00 3.45 3.20 -1.06 -1.08 116.97 121.56 2abi h TYR 819 Ca 0.37 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.22 2abi h TYR 819 Cb 0.07 0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.67 2abi h TYR 819 CO -0.02 -0.62 0.00 1.57 -1.64 0.00 0.00 178.16 177.45 2abi h LYS 820 N -1.18 0.00 0.00 1.82 2.10 -1.36 -2.39 116.57 115.56 2abi h LYS 820 Ca -0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 2abi h LYS 820 Cb 0.85 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.18 2abi h LYS 820 CO 0.18 0.00 -1.28 0.72 -2.00 0.00 0.00 179.45 177.07 2abi n HIS 821 N -2.85 0.00 -1.50 0.07 8.25 -0.77 -4.72 115.22 113.70 2abi n HIS 821 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2abi n HIS 821 Cb 0.43 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.34 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 -1.75 0.00 -2.28 1.59 -2.24 -0.80 -5.00 114.28 103.81 2abi n THR 822 Ca -0.00 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.58 2abi n THR 822 Cb 0.34 0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.00 -5.57 -0.46 3.42 3.02 -0.90 -1.94 115.26 112.83 2abi n ASN 823 Ca 0.00 0.04 -0.06 0.00 -0.03 0.00 0.00 54.58 54.53 2abi n ASN 823 Cb 0.55 -4.62 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 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 -1.66 -4.87 -0.24 6.41 7.64 -0.48 -4.84 113.62 115.59 2abi n SER 824 Ca -0.23 0.15 0.14 0.00 1.01 0.00 0.00 58.87 59.95 2abi n SER 824 Cb 0.67 -2.91 0.63 0.00 -1.01 0.00 0.00 64.21 61.59 2abi n SER 824 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2abi n GLN 825 N -1.29 1.13 -3.76 1.43 6.02 -0.82 -4.78 117.38 115.32 2abi n GLN 825 Ca -0.06 -0.48 -0.10 0.00 -0.01 0.00 0.00 57.00 56.35 2abi n GLN 825 Cb 0.39 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 30.11 2abi n GLN 825 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2abi s PHE 826 N -2.20 -0.02 -0.63 1.08 0.08 -1.26 -4.87 117.98 110.16 2abi s PHE 826 Ca 0.36 -0.32 -0.15 0.00 0.12 0.00 0.00 56.93 56.94 2abi s PHE 826 Cb 0.21 0.25 0.16 0.00 -0.57 0.00 0.00 43.02 43.06 2abi s PHE 826 CO 0.40 -0.81 0.58 -0.51 -0.10 0.00 0.00 175.22 174.79 2abi s LEU 827 N -2.87 6.35 -1.29 -0.37 1.43 -0.77 -4.60 118.68 116.56 2abi s LEU 827 Ca 0.09 -2.08 -0.18 0.00 -1.03 0.00 0.00 54.13 50.93 2abi s LEU 827 Cb 0.01 -2.20 0.04 0.00 0.03 0.00 0.00 46.19 44.06 2abi s LEU 827 CO -0.05 -0.76 1.83 0.00 0.23 0.00 0.00 176.35 177.60 2abi n TYR 828 N 4.84 4.20 -0.18 0.29 4.19 -1.26 -0.90 117.16 128.33 2abi n TYR 828 Ca -0.05 -2.64 -0.09 0.00 3.31 0.00 0.00 57.90 58.42 2abi n TYR 828 Cb 0.42 -2.61 0.01 0.00 0.49 0.00 0.00 39.34 37.66 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 7.68 0.92 -3.25 2.98 -1.00 -1.84 -3.41 116.94 119.02 2abi h PHE 829 Ca 0.43 -0.13 -0.01 0.00 2.81 0.00 0.00 57.97 61.07 2abi h PHE 829 Cb 0.85 -0.25 -0.10 0.00 3.61 0.00 0.00 35.95 40.06 2abi h PHE 829 CO 1.40 0.83 0.06 0.00 -1.61 0.00 0.00 178.31 178.99 2abi s ALA 830 N -5.19 -1.01 0.47 2.45 0.00 -1.18 -4.93 121.76 112.36 2abi s ALA 830 Ca -0.13 -0.18 0.21 0.00 0.00 0.00 0.00 51.96 51.86 2abi s ALA 830 Cb 0.12 0.86 1.21 0.00 0.00 0.00 0.00 23.12 25.31 2abi s ALA 830 CO 0.81 -0.83 1.92 -1.35 0.00 0.00 0.00 175.76 176.32 2abi h PRO 831 N 2.16 0.24 -0.50 0.00 0.11 -1.91 -2.04 132.00 130.06 2abi h PRO 831 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.81 2abi h PRO 831 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2abi h PRO 831 CO 0.36 0.16 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 2abi n ASP 832 N -4.43 4.01 -3.11 -2.05 3.85 -1.26 -4.75 116.55 108.81 2abi n ASP 832 Ca 0.15 -2.38 -0.17 0.00 -0.71 0.00 0.00 54.79 51.68 2abi n ASP 832 Cb 0.64 -0.47 -0.05 0.00 -1.35 0.00 0.00 41.12 39.89 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 -1.70 0.10 -0.26 -2.12 2.96 -0.77 -4.68 118.68 112.23 2abi s LEU 833 Ca 0.41 -2.45 -0.10 0.00 -0.22 0.00 0.00 54.13 51.78 2abi s LEU 833 Cb 0.26 0.62 -0.04 0.00 0.50 0.00 0.00 46.19 47.53 2abi s LEU 833 CO 0.20 -0.12 0.15 -0.69 -1.32 0.00 0.00 176.35 174.57 2abi s VAL 834 N 0.45 5.04 -0.09 1.68 1.01 -1.26 -2.80 120.40 124.44 2abi s VAL 834 Ca 0.31 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.12 2abi s VAL 834 Cb 0.02 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.99 2abi s VAL 834 CO -0.13 0.30 0.79 -0.36 0.00 0.00 0.00 175.10 175.70 2abi s PHE 835 N 1.54 3.54 0.48 5.22 0.40 -0.07 -4.91 117.98 124.18 2abi s PHE 835 Ca 0.07 1.33 0.08 0.00 -0.60 0.00 0.00 56.93 57.80 2abi s PHE 835 Cb -0.15 -2.93 0.02 0.00 0.51 0.00 0.00 43.02 40.47 2abi s PHE 835 CO 0.08 -0.04 0.50 0.54 0.70 0.00 0.00 175.22 177.00 2abi s ASN 836 N 0.95 5.05 0.57 1.36 4.22 -1.26 -1.84 114.94 124.00 2abi s ASN 836 Ca 0.40 -0.83 0.36 0.00 -2.14 0.00 0.00 52.86 50.65 2abi s ASN 836 Cb -0.18 -0.18 1.46 0.00 1.28 0.00 0.00 41.25 43.62 2abi s ASN 836 CO 0.18 -0.91 1.68 -0.08 -2.04 0.00 0.00 177.10 175.93 2abi h GLU 837 N 0.74 0.00 0.15 3.55 4.57 -1.97 -0.70 114.58 120.92 2abi h GLU 837 Ca -0.38 0.00 -0.24 0.00 -1.18 0.00 0.00 59.36 57.56 2abi h GLU 837 Cb 1.28 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.89 2abi h GLU 837 CO 0.52 0.00 -1.13 1.49 -1.18 0.00 0.00 179.01 178.71 2abi h GLU 838 N 0.00 0.33 0.00 1.92 4.81 -2.00 -3.28 114.58 116.35 2abi h GLU 838 Ca 0.56 -0.56 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2abi h GLU 838 Cb 2.50 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 32.08 2abi h GLU 838 CO -0.01 1.27 -0.25 0.87 -0.73 0.00 0.00 179.01 180.16 2abi h LYS 839 N -0.25 0.00 -0.47 1.92 1.57 -1.50 -1.43 116.57 116.41 2abi h LYS 839 Ca -0.22 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 2abi h LYS 839 Cb 1.78 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.07 2abi h LYS 839 CO 0.15 0.25 -0.09 0.52 -0.57 0.00 0.00 179.45 179.70 2abi h MET 840 N 0.00 0.84 -0.37 3.15 2.07 -1.56 -1.94 114.93 117.11 2abi h MET 840 Ca -0.00 -0.27 -0.14 0.00 -2.07 0.00 0.00 59.70 57.22 2abi h MET 840 Cb 0.47 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 30.12 2abi h MET 840 CO 0.03 0.89 -0.30 0.45 1.07 0.00 0.00 176.91 179.05 2abi h HIS 841 N 0.76 1.02 0.00 -0.22 -0.00 -1.46 -2.87 115.15 112.38 2abi h HIS 841 Ca 0.13 -0.29 -0.01 0.00 -0.00 0.00 0.00 60.37 60.20 2abi h HIS 841 Cb 0.58 -0.22 -0.00 0.00 -0.00 0.00 0.00 27.41 27.77 2abi h HIS 841 CO 0.03 1.08 -0.05 1.96 -0.00 0.00 0.00 177.93 180.95 2abi h GLN 842 N 0.66 0.00 0.00 2.45 4.20 -0.95 -1.26 115.11 120.22 2abi h GLN 842 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 2abi h GLN 842 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 2abi h GLN 842 CO 0.08 0.05 -0.05 -1.13 -0.67 0.00 0.00 178.83 177.11 2abi n SER 843 N -3.60 0.67 -3.33 1.46 3.41 -0.76 -3.14 113.62 108.33 2abi n SER 843 Ca -0.02 0.52 -0.24 0.00 -0.26 0.00 0.00 58.87 58.87 2abi n SER 843 Cb 0.16 -0.67 0.05 0.00 -0.26 0.00 0.00 64.21 63.49 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 -1.13 -1.26 7.33 0.00 -0.48 -4.80 120.51 118.43 2abi n ALA 844 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2abi n ALA 844 Cb 0.42 -4.43 0.00 0.00 0.00 0.00 0.00 19.45 15.44 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 -4.41 0.14 -0.22 0.00 0.00 -1.24 -4.99 117.12 106.40 2abi n MET 845 Ca -0.05 -0.73 -0.01 0.00 0.00 0.00 0.00 57.70 56.91 2abi n MET 845 Cb 0.58 -0.54 0.02 0.00 0.00 0.00 0.00 33.22 33.28 2abi n MET 845 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 175.97 176.95 2abi n TYR 846 N -0.05 -0.01 0.23 1.12 4.19 -1.10 -0.70 117.16 120.85 2abi n TYR 846 Ca 0.00 0.70 0.10 0.00 3.31 0.00 0.00 57.90 62.02 2abi n TYR 846 Cb 0.55 -0.70 0.55 0.00 0.49 0.00 0.00 39.34 40.24 2abi n TYR 846 CO 0.00 0.00 0.00 1.49 0.91 0.00 0.00 176.86 179.26 2abi h GLU 847 N 0.00 0.00 0.07 2.98 4.81 -1.94 -1.10 114.58 119.41 2abi h GLU 847 Ca 0.19 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.17 2abi h GLU 847 Cb 0.33 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 2abi h GLU 847 CO -0.56 0.20 -1.11 -0.07 -0.73 0.00 0.00 179.01 176.74 2abi h LEU 848 N 0.00 0.36 -0.74 1.64 3.38 -1.34 -0.80 115.31 117.81 2abi h LEU 848 Ca -0.00 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 2abi h LEU 848 Cb 0.60 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2abi h LEU 848 CO 0.03 1.24 -0.18 0.00 0.09 0.00 0.00 178.44 179.61 2abi h GLN 850 N 0.68 0.76 -0.26 0.00 5.75 -1.14 0.21 115.11 121.11 2abi h GLN 850 Ca 0.10 -0.25 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 2abi h GLN 850 Cb 0.68 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.15 2abi h GLN 850 CO 0.05 0.85 0.10 0.78 -2.65 0.00 0.00 178.83 177.95 2abi h GLY 851 N 0.59 0.39 1.41 2.39 0.00 -0.60 0.42 103.07 107.67 2abi h GLY 851 Ca 0.12 -0.17 -0.26 0.00 0.00 0.00 0.00 47.33 47.01 2abi h GLY 851 CO 0.03 0.17 -1.41 -0.33 0.00 0.00 0.00 176.54 174.99 2abi h MET 852 N 0.37 0.03 -0.14 4.80 2.86 -1.00 -3.28 114.93 118.58 2abi h MET 852 Ca 0.09 -0.06 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2abi h MET 852 Cb 0.09 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 2abi h MET 852 CO -0.01 0.78 -0.41 1.25 1.06 0.00 0.00 176.91 179.57 2abi h HIS 853 N 0.01 0.37 0.00 -0.22 6.17 0.30 -2.27 115.15 119.50 2abi h HIS 853 Ca -0.17 -0.10 -0.03 0.00 0.71 0.00 0.00 60.37 60.78 2abi h HIS 853 Cb 1.92 -0.08 -0.00 0.00 2.52 0.00 0.00 27.41 31.76 2abi h HIS 853 CO 0.01 0.68 -0.12 1.96 0.71 0.00 0.00 177.93 181.17 2abi h GLN 854 N 0.26 0.00 0.00 5.26 1.08 -0.26 -0.54 115.11 120.91 2abi h GLN 854 Ca 0.02 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.08 2abi h GLN 854 Cb 0.84 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.25 2abi h GLN 854 CO 0.07 0.12 -0.70 0.82 -0.95 0.00 0.00 178.83 178.19 2abi h ILE 855 N 0.00 1.31 -0.09 2.54 1.08 -1.47 -2.55 117.51 118.32 2abi h ILE 855 Ca -0.00 -2.58 -0.17 0.00 -0.39 0.00 0.00 64.86 61.72 2abi h ILE 855 Cb 0.51 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2abi h ILE 855 CO 0.02 0.69 -0.67 0.28 -0.69 0.00 0.00 178.15 177.77 2abi h SER 856 N 0.00 0.46 0.04 1.72 0.02 -0.79 -2.76 113.55 112.24 2abi h SER 856 Ca -0.01 -0.28 -0.12 0.00 -0.84 0.00 0.00 61.79 60.54 2abi h SER 856 Cb 1.41 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 2abi h SER 856 CO 0.09 1.00 -0.40 -0.07 -1.14 0.00 0.00 176.83 176.32 2abi h LEU 857 N 0.28 0.48 -0.63 5.07 3.38 -1.12 -2.58 115.31 120.19 2abi h LEU 857 Ca -0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 2abi h LEU 857 Cb 1.23 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 2abi h LEU 857 CO 0.12 0.83 0.16 1.56 0.09 0.00 0.00 178.44 181.19 2abi h GLN 858 N 0.38 1.00 -1.00 1.13 4.20 -1.33 -0.90 115.11 118.60 2abi h GLN 858 Ca 0.04 -0.24 0.19 0.00 0.06 0.00 0.00 58.65 58.70 2abi h GLN 858 Cb 0.86 -0.13 -0.11 0.00 0.30 0.00 0.00 27.48 28.40 2abi h GLN 858 CO 0.07 0.91 0.61 0.74 -0.67 0.00 0.00 178.83 180.49 2abi h PHE 859 N 0.92 1.06 -0.00 2.96 -1.00 -1.17 0.28 116.94 119.98 2abi h PHE 859 Ca 0.20 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.91 2abi h PHE 859 Cb 0.35 -0.32 0.01 0.00 3.61 0.00 0.00 35.95 39.60 2abi h PHE 859 CO 0.03 0.23 -0.38 0.28 -1.61 0.00 0.00 178.31 176.86 2abi h VAL 860 N 0.76 1.50 -0.56 -0.55 2.07 -1.25 0.17 116.25 118.39 2abi h VAL 860 Ca 0.58 -1.99 0.09 0.00 0.82 0.00 0.00 66.70 66.20 2abi h VAL 860 Cb 0.91 2.69 -0.03 0.00 -1.52 0.00 0.00 31.29 33.34 2abi h VAL 860 CO -0.38 0.56 0.38 -0.09 0.02 0.00 0.00 177.57 178.06 2abi h ARG 861 N -0.34 0.36 0.00 1.57 9.65 -0.04 -1.20 114.38 124.37 2abi h ARG 861 Ca -0.05 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 2abi h ARG 861 Cb 1.12 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 2abi h ARG 861 CO 0.08 0.24 -0.95 1.28 2.80 0.00 0.00 179.97 183.41 2abi n LEU 862 N -4.47 0.70 -3.63 3.80 4.77 0.87 -4.98 117.00 114.05 2abi n LEU 862 Ca 0.09 -0.20 -0.21 0.00 -0.03 0.00 0.00 56.01 55.66 2abi n LEU 862 Cb 0.35 -0.09 0.06 0.00 -2.33 0.00 0.00 43.42 41.41 2abi n LEU 862 CO 0.34 0.14 0.05 0.00 -1.33 0.00 0.00 177.39 176.59 2abi n GLN 863 N -1.70 -5.89 -1.67 3.23 1.13 0.45 -4.87 117.38 108.07 2abi n GLN 863 Ca 0.03 0.71 -0.45 0.00 -1.94 0.00 0.00 57.00 55.35 2abi n GLN 863 Cb 0.38 -5.52 -0.03 0.00 0.11 0.00 0.00 30.24 25.18 2abi n GLN 863 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2abi n LEU 864 N -4.36 3.03 -4.98 1.08 7.94 -0.38 -5.00 117.00 114.34 2abi n LEU 864 Ca -0.22 1.12 -0.20 0.00 -1.11 0.00 0.00 56.01 55.60 2abi n LEU 864 Cb 0.64 -1.42 -0.01 0.00 0.53 0.00 0.00 43.42 43.17 2abi n LEU 864 CO 0.67 -0.45 0.06 0.42 -1.11 0.00 0.00 177.39 176.98 2abi s THR 865 N 0.30 4.54 0.22 1.96 -4.23 -1.26 -4.97 115.64 112.19 2abi s THR 865 Ca 0.73 -0.90 -0.08 0.00 -1.18 0.00 0.00 61.69 60.26 2abi s THR 865 Cb -0.67 -3.60 0.17 0.00 1.34 0.00 0.00 72.50 69.74 2abi s THR 865 CO 0.45 -0.26 1.81 0.15 -0.54 0.00 0.00 174.62 176.23 2abi h PHE 866 N 0.92 1.22 -0.88 3.99 3.57 -1.99 -0.86 116.94 122.91 2abi h PHE 866 Ca -0.48 -0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.00 2abi h PHE 866 Cb 1.24 -0.37 -0.06 0.00 2.79 0.00 0.00 35.95 39.55 2abi h PHE 866 CO 0.44 0.89 0.56 0.93 -2.23 0.00 0.00 178.31 178.90 2abi h GLU 867 N 1.19 1.02 -0.11 1.11 3.07 -1.98 -0.93 114.58 117.96 2abi h GLU 867 Ca 0.28 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 58.99 2abi h GLU 867 Cb 0.14 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 27.82 2abi h GLU 867 CO -0.03 0.68 -0.28 0.93 -1.40 0.00 0.00 179.01 178.90 2abi h GLU 868 N 1.05 0.38 -0.27 2.33 5.08 -1.86 -3.18 114.58 118.12 2abi h GLU 868 Ca 0.37 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 2abi h GLU 868 Cb 0.08 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 2abi h GLU 868 CO -0.14 0.88 -0.02 -0.92 -1.00 0.00 0.00 179.01 177.81 2abi h TYR 869 N -0.05 -0.05 -0.91 4.33 3.20 -0.81 -0.86 116.97 121.81 2abi h TYR 869 Ca -0.00 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.90 2abi h TYR 869 Cb 0.89 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 39.18 2abi h TYR 869 CO 0.11 -0.06 0.60 1.79 -1.64 0.00 0.00 178.16 178.96 2abi h THR 870 N 0.06 1.22 -0.34 1.81 1.35 -1.27 0.28 112.91 116.03 2abi h THR 870 Ca 0.13 -0.42 -0.12 0.00 -0.55 0.00 0.00 66.41 65.44 2abi h THR 870 Cb 0.18 -0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.48 2abi h THR 870 CO -0.24 0.22 -0.27 0.40 -0.25 0.00 0.00 175.52 175.38 2abi h ILE 871 N 1.23 1.29 -0.32 6.82 2.04 -1.47 -2.38 117.51 124.71 2abi h ILE 871 Ca 0.34 -1.43 0.01 0.00 1.00 0.00 0.00 64.86 64.77 2abi h ILE 871 Cb -0.13 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 2abi h ILE 871 CO -0.08 0.47 0.21 0.24 0.00 0.00 0.00 178.15 179.00 2abi h MET 872 N 0.56 0.41 -0.23 2.37 2.86 -0.64 -1.53 114.93 118.73 2abi h MET 872 Ca 0.06 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 2abi h MET 872 Cb 0.84 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2abi h MET 872 CO 0.07 0.27 -0.18 -0.22 1.06 0.00 0.00 176.91 177.91 2abi h LYS 873 N 0.42 0.53 -0.59 1.72 3.64 -0.67 -2.27 116.57 119.35 2abi h LYS 873 Ca 0.12 -0.26 0.09 0.00 -1.27 0.00 0.00 60.65 59.32 2abi h LYS 873 Cb -0.02 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.73 2abi h LYS 873 CO -0.03 0.84 0.23 0.28 -2.27 0.00 0.00 179.45 178.50 2abi h VAL 874 N 0.23 0.80 -0.69 2.00 2.07 -0.85 -1.96 116.25 117.84 2abi h VAL 874 Ca 0.04 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2abi h VAL 874 Cb 0.72 0.34 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2abi h VAL 874 CO 0.05 0.08 0.44 -0.07 0.02 0.00 0.00 177.57 178.08 2abi h LEU 875 N 0.42 0.73 -1.14 2.57 3.38 -1.12 -2.25 115.31 117.90 2abi h LEU 875 Ca 0.29 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2abi h LEU 875 Cb 0.34 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2abi h LEU 875 CO -0.28 0.51 0.09 -0.07 0.09 0.00 0.00 178.44 178.78 2abi h LEU 876 N 0.87 0.65 -2.04 1.67 3.38 -0.80 -0.49 115.31 118.56 2abi h LEU 876 Ca 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2abi h LEU 876 Cb -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 2abi h LEU 876 CO -0.10 0.66 -0.05 0.25 0.09 0.00 0.00 178.44 179.29 2abi h LEU 877 N 0.68 0.00 -3.06 1.67 5.85 -0.81 -2.05 115.31 117.58 2abi h LEU 877 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2abi h LEU 877 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 2abi h LEU 877 CO 0.00 0.05 0.00 0.18 -0.34 0.00 0.00 178.44 178.33 2abi n LEU 878 N -3.29 4.04 -0.47 2.25 7.99 -0.24 -4.67 117.00 122.60 2abi n LEU 878 Ca -0.01 -2.39 0.07 0.00 -0.01 0.00 0.00 56.01 53.67 2abi n LEU 878 Cb 0.22 -0.47 0.03 0.00 -0.11 0.00 0.00 43.42 43.09 2abi n LEU 878 CO 0.26 0.78 0.37 -1.20 -1.51 0.00 0.00 177.39 176.09 2abi n SER 879 N 0.70 1.88 -3.96 -1.43 7.64 -0.77 -4.89 113.62 112.79 2abi n SER 879 Ca 0.21 -1.44 -0.29 0.00 1.01 0.00 0.00 58.87 58.36 2abi n SER 879 Cb 0.74 0.24 -0.16 0.00 -1.01 0.00 0.00 64.21 64.02 2abi n SER 879 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2abi s THR 880 N -1.51 1.34 0.14 0.44 2.01 -1.26 0.11 115.64 116.91 2abi s THR 880 Ca 0.15 -0.63 0.02 0.00 0.31 0.00 0.00 61.69 61.54 2abi s THR 880 Cb 0.12 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 2abi s THR 880 CO 0.28 0.30 -0.03 0.27 -0.69 0.00 0.00 174.62 174.74 2abi s ILE 881 N 1.56 0.71 0.38 1.82 -4.36 -0.76 -4.76 121.20 115.79 2abi s ILE 881 Ca 0.03 -1.97 -0.27 0.00 -0.26 0.00 0.00 60.65 58.18 2abi s ILE 881 Cb -0.14 -1.92 -0.11 0.00 1.25 0.00 0.00 42.46 41.54 2abi s ILE 881 CO -0.09 -0.66 1.34 -2.65 0.24 0.00 0.00 174.94 173.13 2abi n PRO 882 N -0.16 2.23 -0.29 0.37 -0.02 -1.26 -0.95 135.00 134.92 2abi n PRO 882 Ca -0.09 0.78 0.21 0.00 -2.02 0.00 0.00 63.50 62.38 2abi n PRO 882 Cb 0.62 -2.45 0.51 0.00 -0.02 0.00 0.00 33.50 32.16 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 2.51 0.40 -0.00 -0.52 -0.00 -1.45 0.17 116.57 117.68 2abi h LYS 883 Ca -0.48 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.15 2abi h LYS 883 Cb 1.27 -0.09 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 2abi h LYS 883 CO 0.62 0.26 -0.25 -0.25 -0.00 0.00 0.00 179.45 179.83 2abi n ASP 884 N -4.56 0.38 0.00 7.07 8.00 -1.26 -5.00 116.55 121.18 2abi n ASP 884 Ca 0.22 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.59 2abi n ASP 884 Cb 0.78 -0.05 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 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 1.45 -1.69 3.82 0.44 0.00 0.59 -5.07 105.19 104.73 2abi n GLY 885 Ca 0.08 -2.16 -0.22 0.00 0.00 0.00 0.00 46.02 43.72 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 3.27 0.30 0.99 1.43 -1.26 -4.48 118.68 118.92 2abi s LEU 886 Ca 0.00 -0.89 0.01 0.00 -1.03 0.00 0.00 54.13 52.22 2abi s LEU 886 Cb 0.00 -1.78 0.48 0.00 0.03 0.00 0.00 46.19 44.91 2abi s LEU 886 CO 0.00 -0.62 1.83 0.50 0.23 0.00 0.00 176.35 178.29 2abi h LYS 887 N 1.19 0.68 -2.01 1.70 3.64 -1.99 -3.07 116.57 116.70 2abi h LYS 887 Ca -0.42 -0.15 -0.59 0.00 -1.27 0.00 0.00 60.65 58.22 2abi h LYS 887 Cb 1.26 -0.09 -0.42 0.00 -0.41 0.00 0.00 32.23 32.57 2abi h LYS 887 CO 0.63 0.67 -0.68 0.43 -2.27 0.00 0.00 179.45 178.23 2abi n SER 888 N -4.26 4.53 -0.15 4.20 7.64 -1.26 -4.92 113.62 119.39 2abi n SER 888 Ca 0.02 -3.69 -0.07 0.00 1.01 0.00 0.00 58.87 56.14 2abi n SER 888 Cb 0.26 -0.53 -0.01 0.00 -1.01 0.00 0.00 64.21 62.92 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 2.84 -0.23 0.25 1.43 5.75 -1.94 0.75 115.11 123.96 2abi h GLN 889 Ca 0.19 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 2abi h GLN 889 Cb 0.66 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 2abi h GLN 889 CO 0.83 -0.15 -0.23 0.00 -2.65 0.00 0.00 178.83 176.63 2abi h ALA 890 N 0.78 -0.48 -0.75 3.38 0.00 -1.91 -0.18 119.26 120.10 2abi h ALA 890 Ca 0.19 -0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2abi h ALA 890 Cb 0.55 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 2abi h ALA 890 CO -0.59 -0.80 0.35 0.00 0.00 0.00 0.00 179.25 178.22 2abi h ALA 891 N 0.19 1.06 -0.26 0.00 0.00 -1.88 -1.76 119.26 116.60 2abi h ALA 891 Ca -0.01 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.01 2abi h ALA 891 Cb 0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2abi h ALA 891 CO -0.04 -0.10 0.05 0.35 0.00 0.00 0.00 179.25 179.51 2abi h PHE 892 N 0.56 0.09 -0.49 0.00 3.57 -0.29 -2.23 116.94 118.15 2abi h PHE 892 Ca 0.39 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.83 2abi h PHE 892 Cb 0.50 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 2abi h PHE 892 CO -0.12 0.03 0.02 0.93 -2.23 0.00 0.00 178.31 176.94 2abi h GLU 893 N 0.15 0.85 -0.61 1.11 5.08 -0.22 -0.64 114.58 120.31 2abi h GLU 893 Ca 0.12 -0.26 0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2abi h GLU 893 Cb 0.12 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2abi h GLU 893 CO -0.15 0.88 0.34 0.93 -1.00 0.00 0.00 179.01 180.01 2abi h GLU 894 N 0.72 0.62 -0.08 2.33 4.39 -1.28 0.46 114.58 121.74 2abi h GLU 894 Ca 0.14 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.83 2abi h GLU 894 Cb 0.48 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2abi h GLU 894 CO 0.02 0.41 -0.08 1.98 -1.16 0.00 0.00 179.01 180.18 2abi h MET 895 N 0.64 -0.10 -0.24 2.33 1.85 -1.00 0.31 114.93 118.71 2abi h MET 895 Ca 0.27 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.36 2abi h MET 895 Cb 0.14 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.19 2abi h MET 895 CO -0.16 -0.07 0.12 -0.09 -0.40 0.00 0.00 176.91 176.31 2abi h ARG 896 N -0.10 0.34 -0.75 0.39 2.43 -0.56 -2.03 114.38 114.10 2abi h ARG 896 Ca 0.06 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 2abi h ARG 896 Cb 0.19 -0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.59 2abi h ARG 896 CO -0.14 0.34 0.36 1.15 -1.51 0.00 0.00 179.97 180.17 2abi h THR 897 N 0.26 0.78 -0.11 0.20 2.02 0.31 -1.31 112.91 115.06 2abi h THR 897 Ca 0.08 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 66.97 2abi h THR 897 Cb 0.11 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.66 2abi h THR 897 CO -0.01 0.10 -0.35 0.78 0.37 0.00 0.00 175.52 176.41 2abi h ASN 898 N 0.57 0.23 0.50 4.18 -0.26 0.08 -1.67 115.58 119.21 2abi h ASN 898 Ca 0.39 -0.08 -0.17 0.00 -0.56 0.00 0.00 56.30 55.88 2abi h ASN 898 Cb 0.48 -0.06 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 2abi h ASN 898 CO -0.32 0.57 -0.72 1.88 -1.06 0.00 0.00 177.43 177.78 2abi h TYR 899 N 0.19 0.25 0.05 1.19 0.05 -0.58 -1.30 116.97 116.82 2abi h TYR 899 Ca 0.02 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 2abi h TYR 899 Cb 0.71 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.42 2abi h TYR 899 CO 0.01 0.84 -0.03 0.82 -1.05 0.00 0.00 178.16 178.76 2abi h ILE 900 N 0.12 1.16 -0.92 -2.88 2.04 -1.04 -0.12 117.51 115.86 2abi h ILE 900 Ca -0.02 -0.70 0.07 0.00 1.00 0.00 0.00 64.86 65.21 2abi h ILE 900 Cb 1.28 1.62 -0.06 0.00 -0.74 0.00 0.00 36.82 38.91 2abi h ILE 900 CO 0.11 0.18 0.60 0.11 0.00 0.00 0.00 178.15 179.14 2abi h LYS 901 N -0.38 1.00 -0.78 2.37 1.57 -1.29 0.20 116.57 119.26 2abi h LYS 901 Ca -0.01 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2abi h LYS 901 Cb 0.34 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2abi h LYS 901 CO 0.01 0.66 0.41 1.49 -0.57 0.00 0.00 179.45 181.45 2abi h GLU 902 N 1.03 1.10 -0.11 3.15 4.57 -0.94 -1.29 114.58 122.10 2abi h GLU 902 Ca 0.40 -0.14 -0.13 0.00 -1.18 0.00 0.00 59.36 58.31 2abi h GLU 902 Cb 0.23 -0.21 0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2abi h GLU 902 CO -0.16 0.82 -0.46 1.25 -1.18 0.00 0.00 179.01 179.29 2abi h LEU 903 N 1.10 0.59 -2.54 1.64 5.85 0.60 -2.43 115.31 120.13 2abi h LEU 903 Ca 0.27 -0.63 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 2abi h LEU 903 Cb 0.06 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 2abi h LEU 903 CO -0.04 1.12 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.07 2abi h ARG 904 N 0.09 0.00 0.07 1.25 2.43 -0.82 -0.69 114.38 116.70 2abi h ARG 904 Ca -0.03 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2abi h ARG 904 Cb 1.10 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.66 2abi h ARG 904 CO 0.10 0.02 -0.43 0.87 -1.51 0.00 0.00 179.97 179.01 2abi h LYS 905 N 0.00 0.14 0.30 0.20 1.57 -1.09 -2.62 116.57 115.08 2abi h LYS 905 Ca -0.00 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2abi h LYS 905 Cb 0.07 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2abi h LYS 905 CO 0.00 1.11 -0.15 0.52 -0.57 0.00 0.00 179.45 180.37 2abi h MET 906 N -0.70 -0.39 -0.03 3.15 2.86 -0.97 -2.82 114.93 116.02 2abi h MET 906 Ca -0.08 0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2abi h MET 906 Cb 1.31 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 33.06 2abi h MET 906 CO 0.06 -0.26 0.03 0.28 1.06 0.00 0.00 176.91 178.09 2abi h VAL 907 N -0.42 0.80 -3.32 -2.22 2.07 -1.28 -3.52 116.25 108.37 2abi h VAL 907 Ca -0.04 0.00 -0.66 0.00 0.82 0.00 0.00 66.70 66.82 2abi h VAL 907 Cb 0.32 0.98 -0.28 0.00 -1.52 0.00 0.00 31.29 30.79 2abi h VAL 907 CO 0.07 0.00 -0.76 -0.89 0.02 0.00 0.00 177.57 176.01 2abi s THR 908 N -4.90 3.05 0.00 2.57 2.01 -0.99 -4.58 115.64 112.80 2abi s THR 908 Ca -0.05 -0.63 0.00 0.00 0.31 0.00 0.00 61.69 61.32 2abi s THR 908 Cb 0.16 -2.32 0.00 0.00 0.01 0.00 0.00 72.50 70.35 2abi s THR 908 CO 0.63 0.49 0.00 -1.54 -0.69 0.00 0.00 174.62 173.50 2abi n SER 917 N 4.16 0.00 -0.00 3.53 3.41 -1.26 -4.98 113.62 118.48 2abi n SER 917 Ca -0.19 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.52 2abi n SER 917 Cb 0.52 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 2abi n SER 917 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 2abi n TRP 918 N 0.00 0.00 0.09 7.33 4.27 -1.26 -3.83 117.44 124.04 2abi n TRP 918 Ca 0.00 0.00 -0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2abi n TRP 918 Cb 0.00 -0.19 -0.04 0.00 -1.36 0.00 0.00 31.31 29.73 2abi n TRP 918 CO 0.00 0.00 0.00 -0.56 -2.29 0.00 0.00 177.69 174.84 2abi h GLN 919 N 0.00 0.00 0.00 -2.67 3.07 -2.00 -2.98 115.11 110.53 2abi h GLN 919 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.69 2abi h GLN 919 Cb 0.63 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.19 2abi h GLN 919 CO 0.00 0.51 -0.25 -0.09 0.09 0.00 0.00 178.83 179.10 2abi h ARG 920 N 0.00 0.00 0.00 0.06 2.43 -1.91 -0.22 114.38 114.75 2abi h ARG 920 Ca -0.07 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.02 2abi h ARG 920 Cb 1.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 2abi h ARG 920 CO 0.07 0.25 -0.38 0.35 -1.51 0.00 0.00 179.97 178.75 2abi h PHE 921 N 0.00 0.00 0.23 2.20 3.57 -1.65 -2.71 116.94 118.58 2abi h PHE 921 Ca -0.00 0.00 -0.33 0.00 3.53 0.00 0.00 57.97 61.17 2abi h PHE 921 Cb 0.48 0.00 0.03 0.00 2.79 0.00 0.00 35.95 39.25 2abi h PHE 921 CO 0.00 0.38 -1.44 -0.92 -2.23 0.00 0.00 178.31 174.10 2abi h TYR 922 N 0.00 0.90 -0.06 0.41 3.20 -1.09 -2.94 116.97 117.39 2abi h TYR 922 Ca -0.00 -0.65 -0.10 0.00 3.14 0.00 0.00 58.73 61.11 2abi h TYR 922 Cb 0.79 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.01 2abi h TYR 922 CO 0.00 1.51 -0.44 1.96 -1.64 0.00 0.00 178.16 179.55 2abi h GLN 923 N 0.14 0.12 0.09 1.82 4.20 -1.23 0.11 115.11 120.36 2abi h GLN 923 Ca -0.23 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.20 2abi h GLN 923 Cb 2.13 -0.00 0.02 0.00 0.30 0.00 0.00 27.48 29.94 2abi h GLN 923 CO 0.26 0.54 -0.90 -0.07 -0.67 0.00 0.00 178.83 178.00 2abi h LEU 924 N 0.10 0.64 -0.64 1.46 3.38 -1.58 -1.72 115.31 116.94 2abi h LEU 924 Ca 0.01 -0.84 -0.13 0.00 0.09 0.00 0.00 57.88 57.00 2abi h LEU 924 Cb 0.82 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2abi h LEU 924 CO 0.06 1.41 -0.62 0.71 0.09 0.00 0.00 178.44 180.09 2abi h THR 925 N -0.05 1.35 -0.21 0.22 1.35 -1.49 -2.14 112.91 111.93 2abi h THR 925 Ca -0.14 -2.21 -0.17 0.00 -0.55 0.00 0.00 66.41 63.35 2abi h THR 925 Cb 1.63 2.22 -0.00 0.00 -1.73 0.00 0.00 68.15 70.27 2abi h THR 925 CO 0.17 0.61 -0.54 0.50 -0.25 0.00 0.00 175.52 176.01 2abi h LYS 926 N 0.00 0.64 0.00 4.72 3.64 -0.85 -2.01 116.57 122.71 2abi h LYS 926 Ca -0.01 -0.40 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 2abi h LYS 926 Cb 1.17 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2abi h LYS 926 CO 0.08 1.01 -0.29 1.25 -2.27 0.00 0.00 179.45 179.23 2abi h LEU 927 N 0.49 0.00 -0.25 5.20 6.46 -1.09 -2.03 115.31 124.09 2abi h LEU 927 Ca 0.01 0.00 -0.20 0.00 -0.12 0.00 0.00 57.88 57.57 2abi h LEU 927 Cb 1.10 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 2abi h LEU 927 CO 0.11 0.29 -0.90 -0.07 -0.62 0.00 0.00 178.44 177.25 2abi h LEU 928 N 0.00 0.18 -0.50 2.25 4.07 -1.05 -2.92 115.31 117.34 2abi h LEU 928 Ca -0.00 -0.15 -0.17 0.00 0.08 0.00 0.00 57.88 57.64 2abi h LEU 928 Cb 0.54 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 2abi h LEU 928 CO 0.04 0.98 -0.64 0.44 -1.08 0.00 0.00 178.44 178.18 2abi h ASP 929 N 0.07 0.48 0.07 -0.43 3.32 -0.93 -2.44 116.42 116.56 2abi h ASP 929 Ca -0.04 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2abi h ASP 929 Cb 1.55 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.96 2abi h ASP 929 CO 0.13 1.00 0.00 -1.54 -1.72 0.00 0.00 179.24 177.11 2abi n SER 930 N -3.89 0.00 0.08 6.45 3.41 -0.80 -2.72 113.62 116.15 2abi n SER 930 Ca -0.04 -0.72 -0.09 0.00 -0.26 0.00 0.00 58.87 57.77 2abi n SER 930 Cb 0.65 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.57 2abi n SER 930 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 2abi h MET 931 N 0.00 0.26 -0.18 4.33 -1.53 -1.23 -3.28 114.93 113.31 2abi h MET 931 Ca 0.00 -0.26 -0.11 0.00 -3.44 0.00 0.00 59.70 55.90 2abi h MET 931 Cb 0.04 0.07 -0.01 0.00 -0.55 0.00 0.00 31.60 31.14 2abi h MET 931 CO 0.00 0.94 -0.36 0.45 0.14 0.00 0.00 176.91 178.09 2abi h HIS 932 N 0.16 0.43 -0.59 1.39 3.86 -1.64 -1.72 115.15 117.04 2abi h HIS 932 Ca -0.04 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.05 2abi h HIS 932 Cb 1.42 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.76 2abi h HIS 932 CO 0.03 0.68 0.31 -0.44 0.86 0.00 0.00 177.93 179.38 2abi h ASP 933 N 0.32 0.75 0.20 2.45 3.32 -1.74 0.17 116.42 121.88 2abi h ASP 933 Ca 0.04 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 2abi h ASP 933 Cb 0.78 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.14 2abi h ASP 933 CO 0.06 0.64 -0.10 0.25 -1.72 0.00 0.00 179.24 178.38 2abi h LEU 934 N 0.80 -0.23 -1.80 1.55 5.85 -1.63 -2.33 115.31 117.53 2abi h LEU 934 Ca 0.21 -0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.84 2abi h LEU 934 Cb 0.07 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 2abi h LEU 934 CO -0.03 0.10 0.39 0.58 -0.34 0.00 0.00 178.44 179.14 2abi h VAL 935 N -0.57 0.82 -0.12 1.05 2.07 -1.14 0.32 116.25 118.67 2abi h VAL 935 Ca -0.03 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2abi h VAL 935 Cb 0.43 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2abi h VAL 935 CO 0.04 0.04 -0.00 -1.28 0.02 0.00 0.00 177.57 176.39 2abi h SER 936 N 0.22 0.21 -0.79 0.57 0.87 -0.43 0.75 113.55 114.95 2abi h SER 936 Ca 0.27 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2abi h SER 936 Cb 0.76 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.63 2abi h SER 936 CO -0.05 0.47 0.47 0.44 -0.53 0.00 0.00 176.83 177.63 2abi h ASP 937 N -0.05 0.95 -0.48 6.23 3.32 -0.29 -2.07 116.42 124.04 2abi h ASP 937 Ca 0.04 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 2abi h ASP 937 Cb 0.36 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 2abi h ASP 937 CO 0.01 0.74 0.25 -0.07 -1.72 0.00 0.00 179.24 178.44 2abi h LEU 938 N 1.08 0.61 -0.79 1.55 3.38 -0.29 -3.00 115.31 117.85 2abi h LEU 938 Ca 0.28 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 58.17 2abi h LEU 938 Cb -0.03 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2abi h LEU 938 CO -0.05 0.54 0.51 -0.07 0.09 0.00 0.00 178.44 179.46 2abi h LEU 939 N 0.63 0.85 0.31 1.67 4.07 -0.39 -1.43 115.31 121.02 2abi h LEU 939 Ca 0.17 -0.01 -0.01 0.00 0.08 0.00 0.00 57.88 58.11 2abi h LEU 939 Cb 0.08 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 2abi h LEU 939 CO -0.02 0.60 -0.23 -0.08 -1.08 0.00 0.00 178.44 177.63 2abi h GLU 940 N 1.01 -0.52 -0.81 1.13 4.81 -1.26 0.10 114.58 119.05 2abi h GLU 940 Ca 0.31 0.04 0.12 0.00 -0.13 0.00 0.00 59.36 59.70 2abi h GLU 940 Cb -0.03 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.38 2abi h GLU 940 CO -0.10 -0.35 0.41 0.35 -0.73 0.00 0.00 179.01 178.60 2abi h PHE 941 N -0.54 0.73 0.55 0.92 3.57 -1.41 -0.14 116.94 120.63 2abi h PHE 941 Ca -0.02 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2abi h PHE 941 Cb 0.47 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.01 2abi h PHE 941 CO -0.12 0.22 -0.27 0.00 -2.23 0.00 0.00 178.31 175.91 2abi h PHE 943 N -0.89 1.05 -0.30 0.00 0.05 -0.49 0.23 116.94 116.60 2abi h PHE 943 Ca -0.08 0.03 -0.04 0.00 3.82 0.00 0.00 57.97 61.70 2abi h PHE 943 Cb 0.62 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.23 2abi h PHE 943 CO -0.01 0.39 0.02 -0.92 -0.18 0.00 0.00 178.31 177.61 2abi h TYR 944 N 0.89 0.55 0.00 -0.55 5.03 -0.83 0.14 116.97 122.20 2abi h TYR 944 Ca 0.50 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.72 2abi h TYR 944 Cb 0.60 -0.15 0.00 0.00 1.55 0.00 0.00 36.73 38.74 2abi h TYR 944 CO -0.00 0.63 0.00 0.25 -1.32 0.00 0.00 178.16 177.72 2abi n THR 945 N -4.60 0.60 -0.03 1.81 -2.24 -0.37 -2.60 114.28 106.84 2abi n THR 945 Ca -0.03 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.46 2abi n THR 945 Cb 0.24 -0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 67.59 2abi n THR 945 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2abi h PHE 946 N 0.00 0.27 0.00 4.78 3.57 -0.77 -2.20 116.94 122.60 2abi h PHE 946 Ca 0.00 -0.20 -0.02 0.00 3.53 0.00 0.00 57.97 61.29 2abi h PHE 946 Cb 0.58 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 2abi h PHE 946 CO 0.00 1.52 -0.08 -0.09 -2.23 0.00 0.00 178.31 177.43 2abi h ARG 947 N -0.53 0.00 -0.33 1.11 2.43 -0.96 -2.89 114.38 113.20 2abi h ARG 947 Ca -0.31 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.60 2abi h ARG 947 Cb 1.59 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 30.83 2abi h ARG 947 CO -0.03 0.08 -0.86 0.39 -1.51 0.00 0.00 179.97 178.04 2abi n GLU 948 N -3.51 1.92 0.18 0.20 1.02 -1.07 -4.85 120.64 114.52 2abi n GLU 948 Ca -0.02 -3.35 0.03 0.00 -0.02 0.00 0.00 57.16 53.80 2abi n GLU 948 Cb 0.21 -1.49 0.40 0.00 -0.02 0.00 0.00 31.44 30.55 2abi n GLU 948 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2abi h SER 949 N 1.76 0.07 0.82 1.62 4.64 -1.17 -2.16 113.55 119.13 2abi h SER 949 Ca 0.03 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.19 2abi h SER 949 Cb 1.41 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.46 2abi h SER 949 CO 0.30 0.33 -0.70 0.45 -0.87 0.00 0.00 176.83 176.33 2abi h HIS 950 N 0.06 0.00 0.10 4.77 3.86 -1.85 0.22 115.15 122.32 2abi h HIS 950 Ca 0.01 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.99 2abi h HIS 950 Cb 0.49 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.99 2abi h HIS 950 CO 0.00 0.70 -0.96 0.00 0.86 0.00 0.00 177.93 178.54 2abi h ALA 951 N 1.30 -0.02 -0.01 2.45 0.00 -1.88 -3.26 119.26 117.84 2abi h ALA 951 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2abi h ALA 951 Cb 1.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.18 2abi h ALA 951 CO 0.09 0.50 -0.14 1.28 0.00 0.00 0.00 179.25 180.98 2abi n LEU 952 N -4.00 0.80 -3.49 0.00 4.77 -0.84 -4.95 117.00 109.30 2abi n LEU 952 Ca -0.13 -0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 55.48 2abi n LEU 952 Cb 0.86 -0.12 0.06 0.00 -2.33 0.00 0.00 43.42 41.89 2abi n LEU 952 CO 0.52 0.15 0.00 2.29 -1.33 0.00 0.00 177.39 179.02 2abi n LYS 953 N -0.68 -3.78 -4.06 3.23 -0.00 0.19 -4.85 118.16 108.22 2abi n LYS 953 Ca 0.15 0.72 -0.33 0.00 -0.00 0.00 0.00 58.31 58.86 2abi n LYS 953 Cb 0.31 -5.36 -0.15 0.00 -0.00 0.00 0.00 35.03 29.82 2abi n LYS 953 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2abi s VAL 954 N -3.48 2.26 0.14 0.58 1.01 0.55 -4.81 120.40 116.65 2abi s VAL 954 Ca 0.23 -1.44 -0.21 0.00 0.00 0.00 0.00 61.98 60.56 2abi s VAL 954 Cb -0.05 -2.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 2abi s VAL 954 CO 0.78 0.09 0.67 -1.61 0.00 0.00 0.00 175.10 175.03 2abi s GLU 955 N 1.16 4.30 -0.04 2.72 2.02 -1.26 -4.65 118.70 122.96 2abi s GLU 955 Ca -0.05 0.87 0.06 0.00 0.02 0.00 0.00 54.97 55.87 2abi s GLU 955 Cb -0.18 -3.13 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2abi s GLU 955 CO -0.06 0.55 -0.21 -0.06 0.02 0.00 0.00 175.26 175.49 2abi s PHE 956 N -1.25 2.02 0.95 1.61 0.08 -1.26 -4.50 117.98 115.62 2abi s PHE 956 Ca 0.35 -0.52 -0.11 0.00 0.12 0.00 0.00 56.93 56.78 2abi s PHE 956 Cb -0.20 -1.32 0.17 0.00 -0.57 0.00 0.00 43.02 41.10 2abi s PHE 956 CO 0.22 -0.13 1.12 -2.14 -0.10 0.00 0.00 175.22 174.19 2abi s PRO 957 N -0.22 0.75 0.58 0.24 0.02 -1.26 -4.68 135.00 130.42 2abi s PRO 957 Ca 0.01 1.41 0.35 0.00 0.02 0.00 0.00 61.00 62.80 2abi s PRO 957 Cb -0.11 -1.71 1.69 0.00 0.02 0.00 0.00 34.50 34.40 2abi s PRO 957 CO 0.02 -2.77 2.11 0.00 -0.33 0.00 0.00 177.00 176.03 2abi h ALA 958 N -1.97 1.06 -0.00 -1.55 0.00 -1.98 0.68 119.26 115.50 2abi h ALA 958 Ca -0.46 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2abi h ALA 958 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2abi h ALA 958 CO 0.43 0.04 -0.18 0.52 0.00 0.00 0.00 179.25 180.07 2abi h MET 959 N 0.00 0.12 -0.03 0.00 2.07 -1.96 -2.55 114.93 112.58 2abi h MET 959 Ca -0.00 -0.13 -0.00 0.00 -2.07 0.00 0.00 59.70 57.50 2abi h MET 959 Cb 0.33 0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 2abi h MET 959 CO 0.00 0.88 0.02 -0.07 1.07 0.00 0.00 176.91 178.81 2abi h LEU 960 N -0.58 0.05 -0.47 1.22 -0.00 -1.79 -2.23 115.31 111.51 2abi h LEU 960 Ca -0.02 -0.14 0.09 0.00 -0.00 0.00 0.00 57.88 57.81 2abi h LEU 960 Cb 0.94 -0.01 -0.08 0.00 -0.00 0.00 0.00 40.66 41.51 2abi h LEU 960 CO 0.04 0.18 -0.03 0.58 -0.00 0.00 0.00 178.44 179.20 2abi h VAL 961 N -0.09 0.61 -0.08 1.22 2.07 -0.98 0.36 116.25 119.37 2abi h VAL 961 Ca 0.01 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.51 2abi h VAL 961 Cb 0.14 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2abi h VAL 961 CO -0.00 0.01 0.00 -0.08 0.02 0.00 0.00 177.57 177.53 2abi h GLU 962 N 0.08 0.03 -0.22 1.57 4.57 -1.31 -0.91 114.58 118.39 2abi h GLU 962 Ca 0.23 -0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.24 2abi h GLU 962 Cb 0.35 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.94 2abi h GLU 962 CO -0.41 0.02 -0.53 0.97 -1.18 0.00 0.00 179.01 177.87 2abi h ILE 963 N 0.03 1.30 -0.29 2.32 2.10 -0.96 -3.07 117.51 118.95 2abi h ILE 963 Ca 0.03 -1.74 -0.12 0.00 1.08 0.00 0.00 64.86 64.12 2abi h ILE 963 Cb 0.04 1.81 -0.00 0.00 -1.09 0.00 0.00 36.82 37.57 2abi h ILE 963 CO -0.06 0.55 -0.28 0.40 -1.08 0.00 0.00 178.15 177.69 2abi h ILE 964 N 0.48 1.30 0.00 2.19 2.04 -0.29 0.15 117.51 123.39 2abi h ILE 964 Ca -0.00 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 2abi h ILE 964 Cb 1.15 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.80 2abi h ILE 964 CO 0.12 0.46 -0.11 0.77 0.00 0.00 0.00 178.15 179.39 2abi h SER 965 N 0.44 0.00 0.19 1.72 4.64 -1.26 0.12 113.55 119.39 2abi h SER 965 Ca 0.05 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.01 2abi h SER 965 Cb 0.84 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2abi h SER 965 CO 0.07 0.11 -1.83 -0.78 -0.87 0.00 0.00 176.83 173.53 2abi h ASP 966 N 0.00 0.53 -0.06 4.97 -0.00 -1.41 -3.39 116.42 117.06 2abi h ASP 966 Ca -0.00 -0.91 -0.04 0.00 -0.00 0.00 0.00 57.03 56.08 2abi h ASP 966 Cb 0.41 -0.17 0.00 0.00 -0.00 0.00 0.00 39.33 39.57 2abi h ASP 966 CO 0.01 1.78 -0.12 -0.61 -0.00 0.00 0.00 179.24 180.30 2abi h GLN 967 N 0.09 0.19 -0.92 0.28 4.15 -0.40 -3.36 115.11 115.14 2abi h GLN 967 Ca -0.37 -0.12 0.16 0.00 0.77 0.00 0.00 58.65 59.09 2abi h GLN 967 Cb 2.07 0.02 -0.16 0.00 0.21 0.00 0.00 27.48 29.62 2abi h GLN 967 CO 0.15 0.71 -0.31 1.25 -1.93 0.00 0.00 178.83 178.70 2abi h LEU 968 N -0.30 -1.14 -0.91 -2.39 5.85 -0.95 0.71 115.31 116.18 2abi h LEU 968 Ca 0.00 0.29 0.07 0.00 0.84 0.00 0.00 57.88 59.08 2abi h LEU 968 Cb 0.71 0.65 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 2abi h LEU 968 CO 0.03 -0.30 0.57 -0.65 -0.34 0.00 0.00 178.44 177.75 2abi h PRO 969 N -0.02 1.01 0.00 5.25 0.11 -1.76 -2.97 132.00 133.61 2abi h PRO 969 Ca 0.38 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 66.34 2abi h PRO 969 Cb 0.63 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 2abi h PRO 969 CO -0.94 0.67 -0.42 0.87 -0.21 0.00 0.00 178.00 177.96 2abi h LYS 970 N 1.04 0.00 0.04 1.05 6.56 -1.07 -2.06 116.57 122.14 2abi h LYS 970 Ca 0.40 0.00 -0.13 0.00 -1.06 0.00 0.00 60.65 59.86 2abi h LYS 970 Cb 0.19 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.86 2abi h LYS 970 CO -0.18 0.42 -0.54 0.28 -2.06 0.00 0.00 179.45 177.37 2abi h VAL 971 N 0.00 1.51 0.00 0.50 2.07 -1.19 -1.48 116.25 117.66 2abi h VAL 971 Ca -0.00 -2.22 -0.08 0.00 0.82 0.00 0.00 66.70 65.22 2abi h VAL 971 Cb 1.09 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 33.74 2abi h VAL 971 CO 0.05 0.62 -0.38 -0.33 0.02 0.00 0.00 177.57 177.56 2abi h GLU 972 N -0.35 0.00 0.00 1.57 5.08 -1.63 -1.43 114.58 117.81 2abi h GLU 972 Ca -0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2abi h GLU 972 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2abi h GLU 972 CO 0.10 0.38 0.00 0.45 -1.00 0.00 0.00 179.01 178.94 2abi n SER 973 N -3.58 0.60 0.00 1.42 2.88 -0.77 -4.90 113.62 109.27 2abi n SER 973 Ca -0.00 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2abi n SER 973 Cb 0.50 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2abi n SER 973 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2abi n GLY 974 N 0.64 0.69 0.67 0.46 0.00 -0.54 -4.93 105.19 102.18 2abi n GLY 974 Ca 0.04 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.09 2abi n GLY 974 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2abi n ASN 975 N 0.00 1.85 -4.29 1.61 3.02 -0.58 -4.56 115.26 112.30 2abi n ASN 975 Ca 0.00 -2.13 -0.45 0.00 -0.03 0.00 0.00 54.58 51.97 2abi n ASN 975 Cb 0.00 -0.33 -0.04 0.00 -0.61 0.00 0.00 39.78 38.81 2abi n ASN 975 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2abi s ALA 976 N -1.64 3.91 -0.49 5.41 0.00 -1.21 -1.06 121.76 126.68 2abi s ALA 976 Ca 0.18 -3.12 -0.27 0.00 0.00 0.00 0.00 51.96 48.75 2abi s ALA 976 Cb 0.11 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.92 2abi s ALA 976 CO 0.09 -2.19 1.02 0.21 0.00 0.00 0.00 175.76 174.89 2abi s LYS 977 N 0.49 3.57 0.31 0.00 2.20 -0.13 -4.88 119.74 121.30 2abi s LYS 977 Ca 0.14 0.26 -0.28 0.00 -0.36 0.00 0.00 55.97 55.73 2abi s LYS 977 Cb -0.16 -3.94 -0.09 0.00 -1.51 0.00 0.00 37.83 32.13 2abi s LYS 977 CO -0.06 -1.34 1.03 -1.25 -0.36 0.00 0.00 175.35 173.38 2abi s PRO 978 N 4.10 4.55 -0.30 4.03 0.04 -1.26 -1.83 135.00 144.33 2abi s PRO 978 Ca 0.40 1.60 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 2abi s PRO 978 Cb -0.09 -2.98 -0.02 0.00 0.04 0.00 0.00 34.50 31.45 2abi s PRO 978 CO 0.27 0.19 0.16 -1.17 0.04 0.00 0.00 177.00 176.49 2abi s LEU 979 N -1.79 4.04 0.18 -3.56 2.96 0.30 -4.97 118.68 115.83 2abi s LEU 979 Ca 0.48 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 2abi s LEU 979 Cb -0.26 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2abi s LEU 979 CO 0.33 -0.15 0.36 -0.31 -1.32 0.00 0.00 176.35 175.27 2abi s TYR 980 N 1.65 3.49 -0.12 5.38 2.02 -1.26 -4.88 117.35 123.62 2abi s TYR 980 Ca 0.05 0.34 0.03 0.00 -0.37 0.00 0.00 57.07 57.13 2abi s TYR 980 Cb -0.17 -1.84 -0.24 0.00 -0.40 0.00 0.00 41.96 39.31 2abi s TYR 980 CO 0.07 0.42 0.35 1.19 -1.57 0.00 0.00 175.55 176.01 2abi n PHE 981 N -0.47 0.88 0.07 2.71 3.72 -1.26 -5.14 117.46 117.97 2abi n PHE 981 Ca -0.05 0.23 0.01 0.00 -0.05 0.00 0.00 57.45 57.60 2abi n PHE 981 Cb 0.53 -1.13 0.01 0.00 -0.94 0.00 0.00 39.48 37.95 2abi n PHE 981 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43