#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ya3 h PRO 738 N 0.00 -0.36 -0.72 -1.46 0.11 -2.03 -2.65 132.00 124.89 1ya3 h PRO 738 Ca 0.00 0.02 0.16 0.00 0.11 0.00 0.00 66.00 66.29 1ya3 h PRO 738 Cb 0.00 0.08 -0.13 0.00 0.11 0.00 0.00 31.00 31.07 1ya3 h PRO 738 CO 0.00 -0.24 -0.03 0.28 -0.21 0.00 0.00 178.00 177.80 1ya3 h VAL 739 N -0.38 0.36 -0.68 3.15 2.07 -1.99 0.57 116.25 119.35 1ya3 h VAL 739 Ca 0.00 -0.03 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 1ya3 h VAL 739 Cb 0.40 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1ya3 h VAL 739 CO -0.18 0.02 0.20 -0.03 0.02 0.00 0.00 177.57 177.59 1ya3 h MET 740 N 0.08 1.06 -0.53 1.57 1.85 -2.02 -2.86 114.93 114.10 1ya3 h MET 740 Ca 0.38 -0.24 -0.06 0.00 -0.61 0.00 0.00 59.70 59.18 1ya3 h MET 740 Cb 0.64 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 32.50 1ya3 h MET 740 CO -0.65 0.93 0.11 0.28 -0.40 0.00 0.00 176.91 177.18 1ya3 h VAL 741 N 1.00 1.25 -0.95 -5.77 2.07 -0.71 -3.15 116.25 109.98 1ya3 h VAL 741 Ca 0.22 -0.91 0.12 0.00 0.82 0.00 0.00 66.70 66.95 1ya3 h VAL 741 Cb 0.31 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.82 1ya3 h VAL 741 CO -0.00 0.33 0.58 -0.07 0.02 0.00 0.00 177.57 178.43 1ya3 h LEU 742 N 0.75 0.84 0.01 2.57 3.38 -0.75 -2.97 115.31 119.13 1ya3 h LEU 742 Ca 0.16 0.05 -0.26 0.00 0.09 0.00 0.00 57.88 57.93 1ya3 h LEU 742 Cb 0.37 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ya3 h LEU 742 CO 0.01 0.44 -1.02 -0.33 0.09 0.00 0.00 178.44 177.63 1ya3 h GLU 743 N 0.91 0.67 -0.88 1.13 5.08 -1.47 -3.01 114.58 117.02 1ya3 h GLU 743 Ca 0.48 -0.74 0.22 0.00 -1.00 0.00 0.00 59.36 58.32 1ya3 h GLU 743 Cb 0.49 0.21 -0.13 0.00 0.50 0.00 0.00 28.75 29.82 1ya3 h GLU 743 CO -0.27 1.31 0.34 -0.97 -1.00 0.00 0.00 179.01 178.42 1ya3 h ASN 744 N 0.34 0.22 0.41 1.42 -1.24 -1.65 -3.19 115.58 111.88 1ya3 h ASN 744 Ca -0.13 0.17 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1ya3 h ASN 744 Cb 1.68 0.18 0.00 0.00 0.73 0.00 0.00 38.32 40.91 1ya3 h ASN 744 CO 0.20 -0.05 -0.50 2.30 -1.29 0.00 0.00 177.43 178.09 1ya3 n ILE 745 N -5.10 0.00 -1.67 2.57 -5.35 -1.12 -4.88 119.36 103.80 1ya3 n ILE 745 Ca 0.22 -0.03 -0.43 0.00 -0.27 0.00 0.00 62.75 62.24 1ya3 n ILE 745 Cb 0.66 0.35 -0.03 0.00 -1.74 0.00 0.00 39.64 38.88 1ya3 n ILE 745 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1ya3 n GLU 746 N -1.33 2.72 -0.58 6.28 4.07 -1.14 -4.70 120.64 125.96 1ya3 n GLU 746 Ca 0.07 1.00 -0.30 0.00 -0.06 0.00 0.00 57.16 57.86 1ya3 n GLU 746 Cb 0.34 -2.91 0.20 0.00 -0.06 0.00 0.00 31.44 29.00 1ya3 n GLU 746 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1ya3 n PRO 747 N 6.80 -2.12 -2.98 5.31 -0.02 -1.26 -5.05 135.00 135.68 1ya3 n PRO 747 Ca 0.20 -0.61 -0.12 0.00 -2.02 0.00 0.00 63.50 60.96 1ya3 n PRO 747 Cb 0.38 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 1ya3 n PRO 747 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1ya3 n GLU 748 N -2.85 1.39 -0.89 -0.52 0.00 -1.26 -5.10 120.64 111.41 1ya3 n GLU 748 Ca 0.02 -1.36 -0.30 0.00 0.00 0.00 0.00 57.16 55.52 1ya3 n GLU 748 Cb 0.58 0.44 0.02 0.00 0.00 0.00 0.00 31.44 32.48 1ya3 n GLU 748 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1ya3 n ILE 749 N -0.44 0.00 -3.38 3.84 5.41 -1.26 -5.01 119.36 118.52 1ya3 n ILE 749 Ca -0.07 -0.40 0.02 0.00 1.00 0.00 0.00 62.75 63.31 1ya3 n ILE 749 Cb 0.24 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.14 1ya3 n ILE 749 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1ya3 s VAL 750 N -1.58 -0.84 0.36 1.39 1.01 -1.26 -5.16 120.40 114.31 1ya3 s VAL 750 Ca 0.38 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 1ya3 s VAL 750 Cb -0.27 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.02 1ya3 s VAL 750 CO 0.59 0.00 1.05 -0.31 0.00 0.00 0.00 175.10 176.44 1ya3 s TYR 751 N 2.82 3.37 -0.98 5.22 1.51 -1.26 -4.57 117.35 123.45 1ya3 s TYR 751 Ca 0.04 1.67 0.25 0.00 -1.01 0.00 0.00 57.07 58.02 1ya3 s TYR 751 Cb -0.12 -3.15 0.41 0.00 -0.11 0.00 0.00 41.96 38.99 1ya3 s TYR 751 CO -0.19 -0.55 1.35 0.00 -1.11 0.00 0.00 175.55 175.05 1ya3 n ALA 752 N 0.29 3.65 -2.95 3.71 0.00 -1.26 -4.91 120.51 119.04 1ya3 n ALA 752 Ca 0.03 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.01 1ya3 n ALA 752 Cb 0.48 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.89 1ya3 n ALA 752 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ya3 n GLY 753 N 1.49 -0.96 3.70 0.00 0.00 -1.26 -4.58 105.19 103.58 1ya3 n GLY 753 Ca 0.05 0.44 -0.29 0.00 0.00 0.00 0.00 46.02 46.22 1ya3 n GLY 753 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1ya3 s TYR 754 N -3.22 2.02 -0.31 1.61 6.04 -1.26 -5.05 117.35 117.17 1ya3 s TYR 754 Ca 0.26 0.88 -0.12 0.00 0.04 0.00 0.00 57.07 58.13 1ya3 s TYR 754 Cb -0.03 -3.34 0.19 0.00 -1.04 0.00 0.00 41.96 37.73 1ya3 s TYR 754 CO 0.64 -2.89 1.09 0.16 -1.54 0.00 0.00 175.55 173.00 1ya3 s ASP 760 N -3.67 -0.25 0.31 4.32 3.84 -1.26 -5.18 116.67 114.77 1ya3 s ASP 760 Ca 0.66 -0.06 0.00 0.00 -0.00 0.00 0.00 52.55 53.15 1ya3 s ASP 760 Cb -0.17 0.68 0.00 0.00 -1.38 0.00 0.00 42.92 42.05 1ya3 s ASP 760 CO 0.56 -0.04 0.00 0.35 -0.00 0.00 0.00 175.17 176.05 1ya3 n THR 761 N 4.25 0.00 0.03 2.11 -2.24 -1.26 -4.91 114.28 112.26 1ya3 n THR 761 Ca 0.07 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.68 1ya3 n THR 761 Cb 0.61 -1.83 -0.14 0.00 -2.10 0.00 0.00 70.33 66.87 1ya3 n THR 761 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ya3 h ALA 762 N -2.00 0.41 -0.64 6.98 0.00 -1.92 -3.21 119.26 118.89 1ya3 h ALA 762 Ca 0.00 -1.27 -0.09 0.00 0.00 0.00 0.00 54.91 53.54 1ya3 h ALA 762 Cb 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ya3 h ALA 762 CO 0.00 1.27 0.04 1.05 0.00 0.00 0.00 179.25 181.60 1ya3 h GLU 763 N 0.06 1.10 -0.16 0.00 9.09 -1.90 -1.25 114.58 121.53 1ya3 h GLU 763 Ca -0.32 -0.33 -0.17 0.00 0.05 0.00 0.00 59.36 58.58 1ya3 h GLU 763 Cb 2.03 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 29.02 1ya3 h GLU 763 CO 0.12 1.05 -0.62 -0.91 0.05 0.00 0.00 179.01 178.70 1ya3 h ASN 764 N 1.01 0.63 -0.29 3.06 -0.26 -1.87 -0.80 115.58 117.05 1ya3 h ASN 764 Ca 0.18 -0.36 -0.04 0.00 -0.56 0.00 0.00 56.30 55.53 1ya3 h ASN 764 Cb 0.53 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.59 1ya3 h ASN 764 CO 0.03 1.09 0.03 0.25 -1.06 0.00 0.00 177.43 177.77 1ya3 h LEU 765 N 0.41 0.48 -0.76 1.61 5.85 -1.52 -1.49 115.31 119.88 1ya3 h LEU 765 Ca -0.01 -0.28 -0.12 0.00 0.84 0.00 0.00 57.88 58.31 1ya3 h LEU 765 Cb 1.18 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1ya3 h LEU 765 CO 0.12 0.63 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.38 1ya3 h LEU 766 N 0.31 0.49 -0.87 2.25 3.38 -1.21 -2.27 115.31 117.38 1ya3 h LEU 766 Ca 0.09 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.77 1ya3 h LEU 766 Cb 0.37 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1ya3 h LEU 766 CO 0.01 0.84 0.02 0.28 0.09 0.00 0.00 178.44 179.68 1ya3 h SER 767 N 0.39 0.83 -0.04 -0.43 0.02 -0.97 -1.19 113.55 112.16 1ya3 h SER 767 Ca 0.04 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1ya3 h SER 767 Cb 0.87 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.19 1ya3 h SER 767 CO 0.07 0.87 0.01 0.74 -1.14 0.00 0.00 176.83 177.39 1ya3 h THR 768 N 0.80 1.18 -0.54 -2.27 2.02 -1.04 -1.64 112.91 111.42 1ya3 h THR 768 Ca 0.16 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1ya3 h THR 768 Cb 0.45 1.47 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 1ya3 h THR 768 CO 0.02 0.14 0.20 -0.07 0.37 0.00 0.00 175.52 176.18 1ya3 h LEU 769 N -0.15 0.73 -0.44 2.58 3.38 -1.24 0.26 115.31 120.43 1ya3 h LEU 769 Ca 0.01 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1ya3 h LEU 769 Cb 0.22 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1ya3 h LEU 769 CO -0.00 0.67 0.19 0.78 0.09 0.00 0.00 178.44 180.17 1ya3 h ASN 770 N 0.78 0.59 -0.75 -0.43 2.35 -1.02 0.33 115.58 117.42 1ya3 h ASN 770 Ca 0.18 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1ya3 h ASN 770 Cb 0.18 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1ya3 h ASN 770 CO -0.01 0.58 0.32 0.03 -1.65 0.00 0.00 177.43 176.69 1ya3 h ARG 771 N 0.56 1.12 -0.37 0.81 3.08 -0.61 0.54 114.38 119.51 1ya3 h ARG 771 Ca 0.15 -0.19 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 1ya3 h ARG 771 Cb 0.16 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1ya3 h ARG 771 CO -0.01 0.90 -0.05 1.25 -1.07 0.00 0.00 179.97 180.99 1ya3 h LEU 772 N 1.10 0.57 -0.16 3.04 5.85 -0.59 -1.65 115.31 123.48 1ya3 h LEU 772 Ca 0.26 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1ya3 h LEU 772 Cb 0.18 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 1ya3 h LEU 772 CO -0.02 0.67 0.02 0.00 -0.34 0.00 0.00 178.44 178.77 1ya3 h ALA 773 N 1.39 0.21 -0.60 1.25 0.00 0.64 0.37 119.26 122.53 1ya3 h ALA 773 Ca 0.11 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.90 1ya3 h ALA 773 Cb 0.43 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1ya3 h ALA 773 CO 0.02 -0.12 0.40 0.78 0.00 0.00 0.00 179.25 180.33 1ya3 h GLY 774 N 0.04 0.74 1.85 0.00 0.00 -0.56 0.53 103.07 105.66 1ya3 h GLY 774 Ca 0.05 -0.24 -0.19 0.00 0.00 0.00 0.00 47.33 46.94 1ya3 h GLY 774 CO 0.00 0.19 -0.87 1.70 0.00 0.00 0.00 176.54 177.57 1ya3 h LYS 775 N 0.61 0.14 -0.00 4.80 1.63 -0.95 -3.16 116.57 119.63 1ya3 h LYS 775 Ca 0.25 -0.15 -0.17 0.00 -0.85 0.00 0.00 60.65 59.73 1ya3 h LYS 775 Cb 0.23 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1ya3 h LYS 775 CO -0.07 0.92 -0.79 1.96 -3.45 0.00 0.00 179.45 178.02 1ya3 h GLN 776 N 0.07 0.07 0.00 1.90 4.20 0.20 -2.94 115.11 118.61 1ya3 h GLN 776 Ca -0.03 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1ya3 h GLN 776 Cb 1.50 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.30 1ya3 h GLN 776 CO 0.13 0.82 0.00 0.52 -0.67 0.00 0.00 178.83 179.62 1ya3 h MET 777 N 0.04 0.00 -0.04 1.46 2.86 -0.90 -0.98 114.93 117.37 1ya3 h MET 777 Ca -0.02 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.43 1ya3 h MET 777 Cb 1.38 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.05 1ya3 h MET 777 CO 0.11 0.00 -0.72 0.82 1.06 0.00 0.00 176.91 178.18 1ya3 h ILE 778 N 0.00 1.36 0.00 -1.22 2.04 -1.51 -2.16 117.51 116.01 1ya3 h ILE 778 Ca 0.00 -2.05 -0.09 0.00 1.00 0.00 0.00 64.86 63.71 1ya3 h ILE 778 Cb 0.33 2.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 1ya3 h ILE 778 CO 0.00 0.62 -0.43 1.56 0.00 0.00 0.00 178.15 179.90 1ya3 h GLN 779 N 0.14 0.00 -0.18 2.37 1.08 -1.43 -2.38 115.11 114.71 1ya3 h GLN 779 Ca -0.08 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 56.98 1ya3 h GLN 779 Cb 1.39 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.81 1ya3 h GLN 779 CO 0.14 0.43 -0.49 0.28 -0.95 0.00 0.00 178.83 178.25 1ya3 h VAL 780 N 0.00 1.32 -0.25 -0.54 2.07 -1.12 -2.15 116.25 115.58 1ya3 h VAL 780 Ca -0.00 -1.71 -0.18 0.00 0.82 0.00 0.00 66.70 65.63 1ya3 h VAL 780 Cb 0.80 1.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1ya3 h VAL 780 CO 0.06 0.53 -0.55 0.58 0.02 0.00 0.00 177.57 178.20 1ya3 h VAL 781 N 0.37 1.29 0.00 2.57 2.07 -0.90 -1.64 116.25 120.01 1ya3 h VAL 781 Ca 0.02 -1.76 -0.12 0.00 0.82 0.00 0.00 66.70 65.66 1ya3 h VAL 781 Cb 0.99 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.43 1ya3 h VAL 781 CO 0.09 0.57 -0.55 0.11 0.02 0.00 0.00 177.57 177.80 1ya3 h LYS 782 N 0.58 0.00 -0.07 1.57 1.57 -1.46 -2.65 116.57 116.12 1ya3 h LYS 782 Ca 0.01 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1ya3 h LYS 782 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.45 1ya3 h LYS 782 CO 0.12 0.55 -0.15 2.35 -0.57 0.00 0.00 179.45 181.75 1ya3 h TRP 783 N 0.00 0.28 -0.54 -1.35 7.01 -1.27 -3.30 115.95 116.78 1ya3 h TRP 783 Ca -0.01 -0.10 -0.03 0.00 2.11 0.00 0.00 58.89 60.86 1ya3 h TRP 783 Cb 0.98 -0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.96 1ya3 h TRP 783 CO 0.00 0.75 0.20 0.00 -2.79 0.00 0.00 178.44 176.60 1ya3 h ALA 784 N 0.48 0.70 0.00 2.65 0.00 -1.29 -2.82 119.26 118.97 1ya3 h ALA 784 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ya3 h ALA 784 Cb 0.73 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1ya3 h ALA 784 CO 0.03 0.32 0.03 0.36 0.00 0.00 0.00 179.25 179.99 1ya3 n LYS 785 N -4.51 0.03 -0.09 0.00 2.85 -1.00 -0.93 118.16 114.51 1ya3 n LYS 785 Ca 0.02 0.51 0.09 0.00 -1.05 0.00 0.00 58.31 57.89 1ya3 n LYS 785 Cb 0.17 -1.64 0.14 0.00 -0.65 0.00 0.00 35.03 33.04 1ya3 n LYS 785 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 1ya3 n VAL 786 N -1.66 1.85 -2.98 0.58 0.24 -1.07 -4.80 118.33 110.48 1ya3 n VAL 786 Ca -0.00 -2.15 -0.41 0.00 -2.04 0.00 0.00 64.34 59.74 1ya3 n VAL 786 Cb 0.04 -0.19 -0.05 0.00 -1.47 0.00 0.00 33.84 32.17 1ya3 n VAL 786 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1ya3 s LEU 787 N -2.73 4.14 0.13 1.34 2.96 -0.10 -5.01 118.68 119.40 1ya3 s LEU 787 Ca 0.30 0.99 -0.34 0.00 -0.22 0.00 0.00 54.13 54.86 1ya3 s LEU 787 Cb 0.26 -3.08 -0.14 0.00 0.50 0.00 0.00 46.19 43.73 1ya3 s LEU 787 CO 0.03 -0.38 1.55 -2.65 -1.32 0.00 0.00 176.35 173.58 1ya3 n PRO 788 N 5.37 1.96 0.00 0.98 -0.02 -1.26 -1.43 135.00 140.61 1ya3 n PRO 788 Ca 0.02 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 1ya3 n PRO 788 Cb 0.49 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1ya3 n PRO 788 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ya3 n GLY 789 N 3.30 2.18 0.23 -1.23 0.00 -1.26 -4.63 105.19 103.78 1ya3 n GLY 789 Ca 0.17 -0.26 0.21 0.00 0.00 0.00 0.00 46.02 46.14 1ya3 n GLY 789 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ya3 n PHE 790 N 0.00 0.77 0.71 1.61 7.35 -1.20 0.16 117.46 126.87 1ya3 n PHE 790 Ca 0.00 0.84 0.09 0.00 -0.76 0.00 0.00 57.45 57.62 1ya3 n PHE 790 Cb 0.00 -1.23 0.42 0.00 0.35 0.00 0.00 39.48 39.01 1ya3 n PHE 790 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1ya3 n LYS 791 N -4.67 0.09 0.00 -4.13 2.85 -0.51 -3.04 118.16 108.75 1ya3 n LYS 791 Ca 0.25 0.16 0.10 0.00 -1.05 0.00 0.00 58.31 57.77 1ya3 n LYS 791 Cb 0.86 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.76 1ya3 n LYS 791 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1ya3 n ASN 792 N -1.43 2.04 -4.82 -5.58 3.02 0.42 -4.96 115.26 103.95 1ya3 n ASN 792 Ca 0.06 -1.52 -0.33 0.00 -0.03 0.00 0.00 54.58 52.76 1ya3 n ASN 792 Cb 0.19 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 1ya3 n ASN 792 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ya3 s LEU 793 N -2.12 3.71 0.26 3.41 1.43 -1.17 -4.95 118.68 119.25 1ya3 s LEU 793 Ca 0.18 1.72 -0.29 0.00 -1.03 0.00 0.00 54.13 54.70 1ya3 s LEU 793 Cb 0.16 -4.53 -0.14 0.00 0.03 0.00 0.00 46.19 41.70 1ya3 s LEU 793 CO 0.43 -0.70 1.08 -0.81 0.23 0.00 0.00 176.35 176.59 1ya3 n PRO 794 N -1.35 1.39 -0.19 1.29 -0.04 -1.26 -4.71 135.00 130.13 1ya3 n PRO 794 Ca 0.08 0.49 0.30 0.00 -0.04 0.00 0.00 63.50 64.33 1ya3 n PRO 794 Cb 0.53 -1.92 0.68 0.00 -0.04 0.00 0.00 33.50 32.76 1ya3 n PRO 794 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1ya3 h LEU 795 N 2.49 0.00 -0.86 1.53 5.85 -1.94 0.35 115.31 122.74 1ya3 h LEU 795 Ca -0.41 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.21 1ya3 h LEU 795 Cb 1.33 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1ya3 h LEU 795 CO 0.64 0.00 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.20 1ya3 h GLU 796 N 0.00 0.62 -0.06 1.25 4.39 -2.00 -1.96 114.58 116.81 1ya3 h GLU 796 Ca 0.46 -0.23 -0.24 0.00 0.34 0.00 0.00 59.36 59.69 1ya3 h GLU 796 Cb 2.17 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 30.79 1ya3 h GLU 796 CO -0.00 0.79 -0.90 -0.44 -1.16 0.00 0.00 179.01 177.29 1ya3 h ASP 797 N 0.55 0.80 0.05 1.42 3.32 -0.62 -2.72 116.42 119.22 1ya3 h ASP 797 Ca 0.08 -0.59 0.01 0.00 0.02 0.00 0.00 57.03 56.56 1ya3 h ASP 797 Cb 0.66 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1ya3 h ASP 797 CO 0.05 1.38 -0.09 1.56 -1.72 0.00 0.00 179.24 180.42 1ya3 h GLN 798 N 0.40 -0.18 -0.03 3.56 4.20 -1.38 0.48 115.11 122.15 1ya3 h GLN 798 Ca -0.08 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.64 1ya3 h GLN 798 Cb 1.54 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 29.35 1ya3 h GLN 798 CO 0.17 -0.12 0.02 0.82 -0.67 0.00 0.00 178.83 179.06 1ya3 h ILE 799 N -0.18 1.01 0.06 2.54 2.04 -1.42 -1.95 117.51 119.60 1ya3 h ILE 799 Ca 0.02 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1ya3 h ILE 799 Cb 0.20 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1ya3 h ILE 799 CO -0.06 0.01 -0.26 0.74 0.00 0.00 0.00 178.15 178.58 1ya3 h THR 800 N 0.04 0.41 -0.74 -0.27 2.02 -1.31 -0.41 112.91 112.66 1ya3 h THR 800 Ca 0.01 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.28 1ya3 h THR 800 Cb 0.00 0.41 -0.07 0.00 -1.74 0.00 0.00 68.15 66.75 1ya3 h THR 800 CO -0.00 0.00 0.39 -0.07 0.37 0.00 0.00 175.52 176.21 1ya3 h LEU 801 N -0.44 0.54 -0.76 2.58 3.38 -0.83 -0.93 115.31 118.84 1ya3 h LEU 801 Ca 0.05 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1ya3 h LEU 801 Cb 0.50 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1ya3 h LEU 801 CO -0.19 0.31 0.41 0.40 0.09 0.00 0.00 178.44 179.46 1ya3 h ILE 802 N 0.67 1.23 0.00 1.22 2.04 -0.78 -1.66 117.51 120.23 1ya3 h ILE 802 Ca 0.35 -0.58 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1ya3 h ILE 802 Cb 0.34 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.63 1ya3 h ILE 802 CO -0.25 0.26 -0.43 1.56 0.00 0.00 0.00 178.15 179.29 1ya3 h GLN 803 N 1.05 0.00 0.00 2.37 4.20 -0.11 -0.38 115.11 122.24 1ya3 h GLN 803 Ca 0.27 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.83 1ya3 h GLN 803 Cb 0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1ya3 h GLN 803 CO -0.04 0.43 -0.70 1.88 -0.67 0.00 0.00 178.83 179.73 1ya3 h TYR 804 N 0.00 0.00 -0.00 2.96 0.05 -0.85 -3.37 116.97 115.75 1ya3 h TYR 804 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1ya3 h TYR 804 Cb 0.84 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.58 1ya3 h TYR 804 CO 0.00 0.70 0.00 -1.13 -1.05 0.00 0.00 178.16 176.68 1ya3 n SER 805 N -3.66 2.15 -0.34 3.88 3.41 -0.65 -4.77 113.62 113.63 1ya3 n SER 805 Ca -0.01 -2.42 0.01 0.00 -0.26 0.00 0.00 58.87 56.19 1ya3 n SER 805 Cb 0.70 -0.17 0.17 0.00 -0.26 0.00 0.00 64.21 64.65 1ya3 n SER 805 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1ya3 h TRP 806 N 0.02 1.17 -0.62 7.33 5.08 -1.25 -2.00 115.95 125.68 1ya3 h TRP 806 Ca 0.00 0.03 -0.05 0.00 1.08 0.00 0.00 58.89 59.95 1ya3 h TRP 806 Cb 0.70 -0.39 -0.03 0.00 -3.00 0.00 0.00 29.16 26.44 1ya3 h TRP 806 CO 0.00 0.67 0.19 1.98 -1.28 0.00 0.00 178.44 180.00 1ya3 h MET 807 N 1.20 0.94 0.64 0.12 4.05 -1.87 -1.74 114.93 118.27 1ya3 h MET 807 Ca 0.38 -0.18 -0.03 0.00 -0.28 0.00 0.00 59.70 59.59 1ya3 h MET 807 Cb 0.02 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 30.67 1ya3 h MET 807 CO -0.12 0.81 -0.38 0.00 0.23 0.00 0.00 176.91 177.45 1ya3 h LEU 809 N -0.95 -0.29 -0.30 0.00 3.38 -1.35 0.19 115.31 115.98 1ya3 h LEU 809 Ca -0.09 0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 1ya3 h LEU 809 Cb 0.76 0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 1ya3 h LEU 809 CO 0.10 -0.12 -0.45 -0.07 0.09 0.00 0.00 178.44 177.98 1ya3 h LEU 810 N 0.11 0.92 -0.20 1.67 3.38 -1.31 -1.81 115.31 118.06 1ya3 h LEU 810 Ca 0.33 -0.51 -0.19 0.00 0.09 0.00 0.00 57.88 57.60 1ya3 h LEU 810 Cb 0.54 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.03 1ya3 h LEU 810 CO -0.54 1.25 -0.61 0.77 0.09 0.00 0.00 178.44 179.39 1ya3 h SER 811 N 0.61 0.89 -0.95 -0.43 4.64 -1.18 0.01 113.55 117.14 1ya3 h SER 811 Ca 0.03 -0.59 0.08 0.00 -0.47 0.00 0.00 61.79 60.84 1ya3 h SER 811 Cb 1.05 -0.26 -0.07 0.00 -0.31 0.00 0.00 62.40 62.81 1ya3 h SER 811 CO 0.10 1.32 0.60 0.15 -0.87 0.00 0.00 176.83 178.14 1ya3 h PHE 812 N 0.50 1.11 -0.43 4.77 3.57 -0.99 -0.89 116.94 124.58 1ya3 h PHE 812 Ca -0.02 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 1ya3 h PHE 812 Cb 1.24 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1ya3 h PHE 812 CO 0.09 0.54 -0.22 0.00 -2.23 0.00 0.00 178.31 176.48 1ya3 h ALA 813 N 1.46 0.80 -0.86 2.41 0.00 -1.09 -1.96 119.26 120.02 1ya3 h ALA 813 Ca 0.43 -0.38 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1ya3 h ALA 813 Cb 0.25 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.81 1ya3 h ALA 813 CO -0.20 0.65 0.56 1.25 0.00 0.00 0.00 179.25 181.51 1ya3 h LEU 814 N 0.75 0.58 0.01 0.00 5.85 0.33 -0.18 115.31 122.65 1ya3 h LEU 814 Ca 0.10 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1ya3 h LEU 814 Cb 0.76 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1ya3 h LEU 814 CO 0.06 0.29 -0.00 0.28 -0.34 0.00 0.00 178.44 178.73 1ya3 h SER 815 N 0.62 -0.01 -0.77 1.25 0.02 -0.68 -1.46 113.55 112.52 1ya3 h SER 815 Ca 0.43 -0.60 0.13 0.00 -0.84 0.00 0.00 61.79 60.91 1ya3 h SER 815 Cb 0.76 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 63.22 1ya3 h SER 815 CO -0.18 0.60 0.35 -0.25 -1.14 0.00 0.00 176.83 176.21 1ya3 h TRP 816 N -0.62 0.61 -0.56 3.45 2.91 -0.74 0.59 115.95 121.59 1ya3 h TRP 816 Ca -0.00 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.95 1ya3 h TRP 816 Cb 0.61 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 29.08 1ya3 h TRP 816 CO 0.14 0.13 -0.04 0.00 -1.03 0.00 0.00 178.44 177.64 1ya3 h ARG 817 N 0.53 0.99 -0.13 2.65 3.08 -1.06 0.56 114.38 121.00 1ya3 h ARG 817 Ca 0.41 -0.32 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 1ya3 h ARG 817 Cb 0.58 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.54 1ya3 h ARG 817 CO -0.36 1.00 -0.67 0.77 -1.07 0.00 0.00 179.97 179.63 1ya3 h SER 818 N 0.90 0.59 0.58 7.04 0.02 -0.05 -1.20 113.55 121.43 1ya3 h SER 818 Ca 0.16 -0.36 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 1ya3 h SER 818 Cb 0.58 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.96 1ya3 h SER 818 CO 0.03 1.09 -0.28 0.22 -1.14 0.00 0.00 176.83 176.76 1ya3 h TYR 819 N 0.36 -0.73 -0.43 3.45 3.20 0.35 0.18 116.97 123.35 1ya3 h TYR 819 Ca -0.02 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.72 1ya3 h TYR 819 Cb 1.24 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.73 1ya3 h TYR 819 CO 0.05 -0.42 -0.19 -0.22 -1.64 0.00 0.00 178.16 175.74 1ya3 h LYS 820 N -0.88 0.85 0.00 1.82 1.63 -0.90 -2.39 116.57 116.70 1ya3 h LYS 820 Ca -0.08 -0.33 -0.10 0.00 -0.85 0.00 0.00 60.65 59.29 1ya3 h LYS 820 Cb 0.64 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.20 1ya3 h LYS 820 CO 0.13 0.96 -1.88 0.72 -3.45 0.00 0.00 179.45 175.93 1ya3 n HIS 821 N -4.12 0.25 -1.68 1.91 8.25 -0.46 -4.62 115.22 114.75 1ya3 n HIS 821 Ca 0.01 0.08 0.04 0.00 -0.26 0.00 0.00 57.72 57.58 1ya3 n HIS 821 Cb 0.42 -0.75 0.06 0.00 1.12 0.00 0.00 29.99 30.85 1ya3 n HIS 821 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1ya3 n THR 822 N -2.50 0.76 -2.72 1.59 -2.24 -0.64 -4.98 114.28 103.55 1ya3 n THR 822 Ca -0.11 -0.98 -0.16 0.00 -2.27 0.00 0.00 64.05 60.53 1ya3 n THR 822 Cb 0.73 0.23 -0.00 0.00 -2.10 0.00 0.00 70.33 69.19 1ya3 n THR 822 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1ya3 n ASN 823 N -0.53 -3.94 0.00 3.42 3.02 -0.90 -0.14 115.26 116.18 1ya3 n ASN 823 Ca 0.07 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 1ya3 n ASN 823 Cb 0.70 -3.32 0.00 0.00 -0.61 0.00 0.00 39.78 36.55 1ya3 n ASN 823 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1ya3 n SER 824 N -1.97 -1.45 0.24 6.41 7.64 0.53 -4.87 113.62 120.14 1ya3 n SER 824 Ca -0.11 0.00 0.12 0.00 1.01 0.00 0.00 58.87 59.89 1ya3 n SER 824 Cb 0.59 -1.52 0.53 0.00 -1.01 0.00 0.00 64.21 62.80 1ya3 n SER 824 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1ya3 h GLN 825 N 1.16 0.00 -4.81 1.43 4.20 -0.76 -3.44 115.11 112.89 1ya3 h GLN 825 Ca 0.00 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 58.32 1ya3 h GLN 825 Cb 0.16 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.80 1ya3 h GLN 825 CO 0.00 0.17 -0.55 -0.06 -0.67 0.00 0.00 178.83 177.72 1ya3 s PHE 826 N -3.71 1.54 -0.30 2.96 0.08 -1.26 -4.96 117.98 112.33 1ya3 s PHE 826 Ca 0.00 -1.47 -0.14 0.00 0.12 0.00 0.00 56.93 55.44 1ya3 s PHE 826 Cb 0.10 -0.74 -0.03 0.00 -0.57 0.00 0.00 43.02 41.79 1ya3 s PHE 826 CO 0.61 -0.67 0.32 -0.51 -0.10 0.00 0.00 175.22 174.88 1ya3 s LEU 827 N -3.32 4.22 -1.09 -0.37 1.43 -0.05 -4.72 118.68 114.78 1ya3 s LEU 827 Ca 0.38 -0.02 -0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1ya3 s LEU 827 Cb 0.05 -2.31 0.30 0.00 0.03 0.00 0.00 46.19 44.26 1ya3 s LEU 827 CO 0.19 -0.22 1.41 0.00 0.23 0.00 0.00 176.35 177.96 1ya3 n TYR 828 N 5.28 2.88 -0.16 0.29 4.19 -1.26 0.71 117.16 129.08 1ya3 n TYR 828 Ca -0.10 -2.86 -0.08 0.00 3.31 0.00 0.00 57.90 58.17 1ya3 n TYR 828 Cb 0.50 -1.34 0.01 0.00 0.49 0.00 0.00 39.34 39.00 1ya3 n TYR 828 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1ya3 h PHE 829 N 5.67 0.70 -3.45 2.98 -1.00 -1.86 -3.42 116.94 116.57 1ya3 h PHE 829 Ca 0.20 -0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.88 1ya3 h PHE 829 Cb 0.67 -0.21 -0.12 0.00 3.61 0.00 0.00 35.95 39.90 1ya3 h PHE 829 CO 0.96 0.58 -0.08 0.00 -1.61 0.00 0.00 178.31 178.17 1ya3 s ALA 830 N -5.60 -0.76 0.25 2.45 0.00 -1.19 -4.98 121.76 111.93 1ya3 s ALA 830 Ca -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.51 1ya3 s ALA 830 Cb 0.11 0.79 0.44 0.00 0.00 0.00 0.00 23.12 24.46 1ya3 s ALA 830 CO 0.76 -0.71 1.78 -1.35 0.00 0.00 0.00 175.76 176.24 1ya3 h PRO 831 N 2.33 0.62 -0.40 0.00 0.11 -1.89 -0.68 132.00 132.09 1ya3 h PRO 831 Ca -0.31 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1ya3 h PRO 831 Cb 1.25 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1ya3 h PRO 831 CO 0.43 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.23 1ya3 n ASP 832 N -4.85 1.68 -3.15 -2.05 3.85 -1.26 -4.64 116.55 106.13 1ya3 n ASP 832 Ca 0.14 -2.08 -0.09 0.00 -0.71 0.00 0.00 54.79 52.06 1ya3 n ASP 832 Cb 0.35 -0.26 -0.03 0.00 -1.35 0.00 0.00 41.12 39.82 1ya3 n ASP 832 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1ya3 s LEU 833 N -0.99 -0.77 -0.13 -2.12 2.96 -0.26 -4.82 118.68 112.54 1ya3 s LEU 833 Ca 0.18 -1.53 -0.05 0.00 -0.22 0.00 0.00 54.13 52.51 1ya3 s LEU 833 Cb 0.10 1.29 -0.04 0.00 0.50 0.00 0.00 46.19 48.04 1ya3 s LEU 833 CO 0.10 -0.16 0.06 0.68 -1.32 0.00 0.00 176.35 175.71 1ya3 s VAL 834 N 1.26 4.82 -0.09 1.68 -7.23 -1.26 -3.06 120.40 116.51 1ya3 s VAL 834 Ca 0.22 -0.04 -0.05 0.00 -1.81 0.00 0.00 61.98 60.30 1ya3 s VAL 834 Cb -0.05 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.75 1ya3 s VAL 834 CO -0.06 0.57 0.11 -0.36 -0.31 0.00 0.00 175.10 175.04 1ya3 s PHE 835 N -0.55 3.48 0.27 2.82 0.40 0.22 -4.90 117.98 119.73 1ya3 s PHE 835 Ca 0.11 0.42 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 1ya3 s PHE 835 Cb -0.12 -1.88 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1ya3 s PHE 835 CO 0.02 0.66 0.07 1.21 0.70 0.00 0.00 175.22 177.88 1ya3 s ASN 836 N -1.14 1.59 0.35 1.36 3.04 -1.26 -0.88 114.94 117.99 1ya3 s ASN 836 Ca 0.16 -1.34 0.21 0.00 0.04 0.00 0.00 52.86 51.93 1ya3 s ASN 836 Cb -0.12 0.07 1.24 0.00 -1.54 0.00 0.00 41.25 40.91 1ya3 s ASN 836 CO 0.06 -0.66 1.42 1.21 -3.04 0.00 0.00 177.10 176.09 1ya3 n GLU 837 N -0.50 -0.05 0.27 0.43 2.13 -1.26 -0.14 120.64 121.52 1ya3 n GLU 837 Ca -0.02 1.22 -0.16 0.00 0.66 0.00 0.00 57.16 58.87 1ya3 n GLU 837 Cb 0.66 -2.24 -0.08 0.00 0.27 0.00 0.00 31.44 30.05 1ya3 n GLU 837 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ya3 h GLU 838 N 0.00 -0.65 0.45 5.31 3.07 -1.99 -1.64 114.58 119.14 1ya3 h GLU 838 Ca 0.77 0.04 -0.01 0.00 -0.50 0.00 0.00 59.36 59.66 1ya3 h GLU 838 Cb 2.13 0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 30.18 1ya3 h GLU 838 CO -0.64 -0.38 -0.30 0.87 -1.40 0.00 0.00 179.01 177.16 1ya3 h LYS 839 N -0.79 -0.70 -1.19 2.33 1.79 -0.93 -1.02 116.57 116.06 1ya3 h LYS 839 Ca -0.07 0.05 0.34 0.00 -2.18 0.00 0.00 60.65 58.79 1ya3 h LYS 839 Cb 0.57 0.16 -0.08 0.00 -1.58 0.00 0.00 32.23 31.29 1ya3 h LYS 839 CO 0.11 -0.47 0.80 0.52 -1.08 0.00 0.00 179.45 179.34 1ya3 h MET 840 N -0.73 0.18 -0.00 3.15 2.86 -1.14 0.25 114.93 119.50 1ya3 h MET 840 Ca -0.05 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1ya3 h MET 840 Cb 0.61 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.23 1ya3 h MET 840 CO 0.03 0.12 -0.00 0.45 1.06 0.00 0.00 176.91 178.57 1ya3 h HIS 841 N 0.18 0.00 0.00 -0.22 3.86 -0.24 -2.60 115.15 116.14 1ya3 h HIS 841 Ca 0.65 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.86 1ya3 h HIS 841 Cb 2.08 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.55 1ya3 h HIS 841 CO -0.00 0.50 -0.00 1.96 0.86 0.00 0.00 177.93 181.24 1ya3 h GLN 842 N -0.49 0.00 -0.03 2.45 4.20 0.69 -2.20 115.11 119.73 1ya3 h GLN 842 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1ya3 h GLN 842 Cb 0.50 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1ya3 h GLN 842 CO 0.00 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.03 1ya3 n SER 843 N -3.09 0.53 -1.95 1.46 3.41 -0.76 -3.23 113.62 110.00 1ya3 n SER 843 Ca -0.02 -1.31 -0.18 0.00 -0.26 0.00 0.00 58.87 57.10 1ya3 n SER 843 Cb 0.16 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 1ya3 n SER 843 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ya3 n ALA 844 N -0.52 -0.47 -1.14 7.33 0.00 -0.83 -4.82 120.51 120.07 1ya3 n ALA 844 Ca 0.19 0.22 0.08 0.00 0.00 0.00 0.00 53.44 53.93 1ya3 n ALA 844 Cb 0.18 -1.87 0.12 0.00 0.00 0.00 0.00 19.45 17.88 1ya3 n ALA 844 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 1ya3 n MET 845 N -2.55 1.19 0.28 0.00 0.00 -1.22 -4.96 117.12 109.86 1ya3 n MET 845 Ca -0.19 -2.35 0.14 0.00 0.00 0.00 0.00 57.70 55.30 1ya3 n MET 845 Cb 0.62 -1.36 0.67 0.00 0.00 0.00 0.00 33.22 33.15 1ya3 n MET 845 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 1ya3 h TYR 846 N 0.00 0.00 0.04 1.12 5.03 -1.74 -1.83 116.97 119.59 1ya3 h TYR 846 Ca 0.00 0.00 -0.38 0.00 2.58 0.00 0.00 58.73 60.93 1ya3 h TYR 846 Cb 1.03 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 39.26 1ya3 h TYR 846 CO 0.01 0.00 -2.31 -1.91 -1.32 0.00 0.00 178.16 172.64 1ya3 n GLU 847 N -2.97 0.69 -0.24 1.82 4.07 -1.26 -3.45 120.64 119.29 1ya3 n GLU 847 Ca 0.01 0.19 -0.05 0.00 -0.06 0.00 0.00 57.16 57.25 1ya3 n GLU 847 Cb 0.55 -1.59 0.06 0.00 -0.06 0.00 0.00 31.44 30.40 1ya3 n GLU 847 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1ya3 h LEU 848 N -0.00 0.77 -0.46 4.31 3.38 -1.84 -0.71 115.31 120.76 1ya3 h LEU 848 Ca -0.53 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.42 1ya3 h LEU 848 Cb 1.94 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.48 1ya3 h LEU 848 CO -0.04 0.55 0.26 0.00 0.09 0.00 0.00 178.44 179.30 1ya3 h GLN 850 N 0.60 0.42 -0.49 0.00 4.20 -1.40 0.12 115.11 118.57 1ya3 h GLN 850 Ca 0.16 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ya3 h GLN 850 Cb 0.04 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 1ya3 h GLN 850 CO -0.03 0.28 0.31 0.78 -0.67 0.00 0.00 178.83 179.50 1ya3 h GLY 851 N 0.43 0.70 0.84 3.46 0.00 -0.86 -0.35 103.07 107.29 1ya3 h GLY 851 Ca 0.31 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1ya3 h GLY 851 CO -0.30 0.27 0.02 -0.33 0.00 0.00 0.00 176.54 176.20 1ya3 h MET 852 N 0.65 0.35 -0.26 4.80 2.86 -1.02 -2.04 114.93 120.28 1ya3 h MET 852 Ca 0.18 -0.10 0.07 0.00 -2.06 0.00 0.00 59.70 57.79 1ya3 h MET 852 Cb -0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 1ya3 h MET 852 CO -0.04 0.51 0.20 1.25 1.06 0.00 0.00 176.91 179.90 1ya3 h HIS 853 N 0.14 0.00 -0.00 -0.22 6.17 -0.61 0.12 115.15 120.74 1ya3 h HIS 853 Ca 0.06 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.04 1ya3 h HIS 853 Cb 0.34 0.00 -0.01 0.00 2.52 0.00 0.00 27.41 30.25 1ya3 h HIS 853 CO 0.02 0.00 -0.50 0.37 0.71 0.00 0.00 177.93 178.54 1ya3 h GLN 854 N 0.00 0.00 -0.17 5.26 5.75 -0.34 -1.83 115.11 123.77 1ya3 h GLN 854 Ca 0.12 -0.00 -0.18 0.00 -0.15 0.00 0.00 58.65 58.45 1ya3 h GLN 854 Cb 0.52 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.08 1ya3 h GLN 854 CO -0.00 0.50 -0.58 0.82 -2.65 0.00 0.00 178.83 176.92 1ya3 h ILE 855 N 0.00 1.31 -0.32 2.39 1.08 -0.41 -2.59 117.51 118.97 1ya3 h ILE 855 Ca -0.00 -1.81 0.03 0.00 -0.39 0.00 0.00 64.86 62.68 1ya3 h ILE 855 Cb 0.88 1.95 -0.03 0.00 -3.07 0.00 0.00 36.82 36.55 1ya3 h ILE 855 CO 0.06 0.57 0.13 0.28 -0.69 0.00 0.00 178.15 178.50 1ya3 h SER 856 N 0.40 0.15 -0.84 1.72 0.02 -1.18 -0.28 113.55 113.55 1ya3 h SER 856 Ca -0.02 0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1ya3 h SER 856 Cb 1.20 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.69 1ya3 h SER 856 CO 0.12 0.12 0.54 -0.07 -1.14 0.00 0.00 176.83 176.41 1ya3 h LEU 857 N 0.27 0.72 -1.01 5.07 3.38 -1.31 0.17 115.31 122.60 1ya3 h LEU 857 Ca 0.14 0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1ya3 h LEU 857 Cb 0.10 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.67 1ya3 h LEU 857 CO -0.13 0.42 0.64 1.56 0.09 0.00 0.00 178.44 181.02 1ya3 h GLN 858 N 0.79 1.31 0.01 1.13 1.08 -0.67 -1.96 115.11 116.80 1ya3 h GLN 858 Ca 0.39 -0.09 -0.00 0.00 -1.45 0.00 0.00 58.65 57.50 1ya3 h GLN 858 Cb 0.44 -0.29 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1ya3 h GLN 858 CO -0.16 0.88 -0.01 0.74 -0.95 0.00 0.00 178.83 179.33 1ya3 h PHE 859 N 1.34 -0.01 -0.19 2.96 -1.00 0.28 0.97 116.94 121.29 1ya3 h PHE 859 Ca 0.36 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 61.07 1ya3 h PHE 859 Cb -0.14 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.42 1ya3 h PHE 859 CO 0.00 0.07 -0.20 -0.24 -1.61 0.00 0.00 178.31 176.33 1ya3 h VAL 860 N -0.10 1.23 -0.13 -0.55 3.04 -1.26 0.53 116.25 119.01 1ya3 h VAL 860 Ca -0.00 -1.06 -0.19 0.00 -1.01 0.00 0.00 66.70 64.44 1ya3 h VAL 860 Cb 0.09 1.32 -0.00 0.00 -2.01 0.00 0.00 31.29 30.69 1ya3 h VAL 860 CO 0.00 0.33 -0.68 0.03 -1.01 0.00 0.00 177.57 176.25 1ya3 h ARG 861 N 0.30 0.55 0.00 4.17 3.08 -1.05 -2.75 114.38 118.68 1ya3 h ARG 861 Ca 0.05 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.69 1ya3 h ARG 861 Cb 0.53 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.66 1ya3 h ARG 861 CO 0.04 1.04 -0.28 1.28 -1.07 0.00 0.00 179.97 180.97 1ya3 n LEU 862 N -3.90 0.30 -3.67 3.04 4.77 0.31 -4.91 117.00 112.95 1ya3 n LEU 862 Ca -0.05 0.24 -0.22 0.00 -0.03 0.00 0.00 56.01 55.95 1ya3 n LEU 862 Cb 0.68 -0.36 0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1ya3 n LEU 862 CO 0.49 0.06 0.04 0.00 -1.33 0.00 0.00 177.39 176.65 1ya3 n GLN 863 N -1.54 -5.77 -1.46 3.23 1.13 0.17 -4.83 117.38 108.30 1ya3 n GLN 863 Ca 0.06 0.69 -0.41 0.00 -1.94 0.00 0.00 57.00 55.40 1ya3 n GLN 863 Cb 0.34 -5.47 0.01 0.00 0.11 0.00 0.00 30.24 25.23 1ya3 n GLN 863 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1ya3 n LEU 864 N -4.40 0.14 -4.88 1.08 7.94 -0.09 -4.97 117.00 111.82 1ya3 n LEU 864 Ca -0.20 0.90 -0.27 0.00 -1.11 0.00 0.00 56.01 55.33 1ya3 n LEU 864 Cb 0.64 -1.13 -0.04 0.00 0.53 0.00 0.00 43.42 43.42 1ya3 n LEU 864 CO 0.68 -2.85 -0.16 -0.89 -1.11 0.00 0.00 177.39 173.06 1ya3 s THR 865 N -1.49 4.98 0.23 1.96 2.01 -1.26 -4.99 115.64 117.09 1ya3 s THR 865 Ca 0.64 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 1ya3 s THR 865 Cb -0.59 -3.53 0.17 0.00 0.01 0.00 0.00 72.50 68.57 1ya3 s THR 865 CO 0.58 -0.05 1.81 0.15 -0.69 0.00 0.00 174.62 176.42 1ya3 h PHE 866 N 2.44 1.15 -0.62 4.92 3.57 -1.99 0.99 116.94 127.39 1ya3 h PHE 866 Ca -0.48 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 60.88 1ya3 h PHE 866 Cb 1.19 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 1ya3 h PHE 866 CO 0.56 0.86 0.09 0.93 -2.23 0.00 0.00 178.31 178.53 1ya3 h GLU 867 N 1.12 1.01 -0.01 1.11 3.07 -1.99 -1.87 114.58 117.02 1ya3 h GLU 867 Ca 0.26 -0.26 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1ya3 h GLU 867 Cb 0.18 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 1ya3 h GLU 867 CO -0.03 0.94 -0.00 0.93 -1.40 0.00 0.00 179.01 179.45 1ya3 h GLU 868 N 0.95 0.02 -0.58 2.33 5.08 -1.83 -3.05 114.58 117.51 1ya3 h GLU 868 Ca 0.19 -0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.66 1ya3 h GLU 868 Cb 0.42 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 1ya3 h GLU 868 CO 0.01 0.41 -0.10 -0.92 -1.00 0.00 0.00 179.01 177.41 1ya3 h TYR 869 N -0.36 -0.23 -0.02 4.33 3.20 -0.72 -0.73 116.97 122.44 1ya3 h TYR 869 Ca 0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.94 1ya3 h TYR 869 Cb 0.40 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 1ya3 h TYR 869 CO 0.06 -0.22 -0.07 1.15 -1.64 0.00 0.00 178.16 177.44 1ya3 h THR 870 N 0.03 0.81 -0.41 1.81 2.02 -1.35 -0.33 112.91 115.50 1ya3 h THR 870 Ca 0.28 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.38 1ya3 h THR 870 Cb 0.44 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.65 1ya3 h THR 870 CO -0.57 0.00 -0.10 0.40 0.37 0.00 0.00 175.52 175.62 1ya3 h ILE 871 N -0.11 1.25 0.00 3.11 2.04 -1.37 -2.64 117.51 119.79 1ya3 h ILE 871 Ca 0.04 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.72 1ya3 h ILE 871 Cb 0.16 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1ya3 h ILE 871 CO -0.09 0.38 -0.27 0.24 0.00 0.00 0.00 178.15 178.42 1ya3 h MET 872 N 0.66 0.00 0.00 2.37 2.86 -0.76 -1.73 114.93 118.34 1ya3 h MET 872 Ca 0.12 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 1ya3 h MET 872 Cb 0.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1ya3 h MET 872 CO 0.03 0.27 -0.60 -0.22 1.06 0.00 0.00 176.91 177.46 1ya3 h LYS 873 N 0.00 0.00 -0.15 1.72 3.64 -0.70 -1.92 116.57 119.17 1ya3 h LYS 873 Ca -0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 1ya3 h LYS 873 Cb 0.48 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1ya3 h LYS 873 CO 0.03 0.60 -0.79 0.28 -2.27 0.00 0.00 179.45 177.30 1ya3 h VAL 874 N 0.00 1.27 0.00 2.00 2.07 -1.25 -2.58 116.25 117.77 1ya3 h VAL 874 Ca -0.01 -1.98 -0.05 0.00 0.82 0.00 0.00 66.70 65.48 1ya3 h VAL 874 Cb 1.18 2.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1ya3 h VAL 874 CO 0.08 0.63 -0.25 -0.07 0.02 0.00 0.00 177.57 177.98 1ya3 h LEU 875 N 0.54 0.00 -0.60 2.57 3.38 -1.16 -0.94 115.31 119.09 1ya3 h LEU 875 Ca -0.06 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1ya3 h LEU 875 Cb 1.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 1ya3 h LEU 875 CO 0.16 0.25 -0.38 -0.07 0.09 0.00 0.00 178.44 178.49 1ya3 h LEU 876 N 0.00 0.72 -1.96 1.67 3.38 -1.22 -1.82 115.31 116.08 1ya3 h LEU 876 Ca -0.00 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1ya3 h LEU 876 Cb 0.45 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1ya3 h LEU 876 CO 0.03 1.03 -0.05 0.25 0.09 0.00 0.00 178.44 179.79 1ya3 h LEU 877 N 0.57 0.00 -3.64 1.67 5.85 -0.78 -1.37 115.31 117.60 1ya3 h LEU 877 Ca 0.05 0.00 -0.35 0.00 0.84 0.00 0.00 57.88 58.43 1ya3 h LEU 877 Cb 0.91 0.00 -0.20 0.00 0.37 0.00 0.00 40.66 41.74 1ya3 h LEU 877 CO 0.08 0.05 0.22 0.18 -0.34 0.00 0.00 178.44 178.63 1ya3 n LEU 878 N -4.36 5.32 0.04 2.25 4.32 -0.91 -4.62 117.00 119.03 1ya3 n LEU 878 Ca -0.03 -3.78 0.12 0.00 -0.02 0.00 0.00 56.01 52.29 1ya3 n LEU 878 Cb 0.14 -0.72 0.08 0.00 -1.62 0.00 0.00 43.42 41.29 1ya3 n LEU 878 CO 0.34 1.23 0.14 -1.54 -1.22 0.00 0.00 177.39 176.33 1ya3 n SER 879 N -1.12 0.64 -3.80 -1.43 3.41 -0.52 -4.88 113.62 105.93 1ya3 n SER 879 Ca 0.45 -0.11 -0.19 0.00 -0.26 0.00 0.00 58.87 58.76 1ya3 n SER 879 Cb 1.26 0.56 -0.17 0.00 -0.26 0.00 0.00 64.21 65.61 1ya3 n SER 879 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1ya3 s THR 880 N -3.18 0.22 0.35 6.66 2.01 -1.26 -0.02 115.64 120.42 1ya3 s THR 880 Ca 0.05 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.24 1ya3 s THR 880 Cb 0.14 -0.34 -0.07 0.00 0.01 0.00 0.00 72.50 72.24 1ya3 s THR 880 CO 0.77 0.18 -0.03 0.27 -0.69 0.00 0.00 174.62 175.12 1ya3 s ILE 881 N 1.37 1.88 0.46 1.82 -4.36 -0.37 -4.86 121.20 117.14 1ya3 s ILE 881 Ca -0.05 -2.09 -0.24 0.00 -0.26 0.00 0.00 60.65 58.01 1ya3 s ILE 881 Cb -0.13 -2.74 -0.07 0.00 1.25 0.00 0.00 42.46 40.77 1ya3 s ILE 881 CO -0.02 -0.13 1.30 -2.84 0.24 0.00 0.00 174.94 173.49 1ya3 s PRO 882 N -3.71 3.64 0.40 0.37 0.02 -1.26 0.42 135.00 134.88 1ya3 s PRO 882 Ca 0.33 2.12 0.25 0.00 0.02 0.00 0.00 61.00 63.73 1ya3 s PRO 882 Cb 0.06 -2.52 1.34 0.00 0.02 0.00 0.00 34.50 33.41 1ya3 s PRO 882 CO 0.16 -0.75 1.62 1.57 -0.33 0.00 0.00 177.00 179.27 1ya3 h LYS 883 N 2.13 0.11 -0.31 5.54 -0.00 -1.41 -0.06 116.57 122.57 1ya3 h LYS 883 Ca -0.50 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.65 60.09 1ya3 h LYS 883 Cb 1.26 -0.03 -0.03 0.00 -0.00 0.00 0.00 32.23 33.44 1ya3 h LYS 883 CO 0.60 0.07 0.01 -0.25 -0.00 0.00 0.00 179.45 179.88 1ya3 n ASP 884 N -4.88 3.69 0.00 7.07 9.92 -1.26 -4.93 116.55 126.16 1ya3 n ASP 884 Ca 0.36 -3.17 0.00 0.00 -0.53 0.00 0.00 54.79 51.45 1ya3 n ASP 884 Cb 1.31 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 41.22 1ya3 n ASP 884 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ya3 n GLY 885 N -0.61 0.51 4.01 0.44 0.00 -0.04 -5.05 105.19 104.45 1ya3 n GLY 885 Ca 0.25 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.24 1ya3 n GLY 885 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ya3 s LEU 886 N -1.31 3.55 0.05 0.99 1.43 -1.26 -4.59 118.68 117.54 1ya3 s LEU 886 Ca 0.00 -0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.40 1ya3 s LEU 886 Cb 0.00 -2.56 -0.15 0.00 0.03 0.00 0.00 46.19 43.52 1ya3 s LEU 886 CO 0.00 -0.88 1.42 0.07 0.23 0.00 0.00 176.35 177.19 1ya3 h LYS 887 N 0.52 -0.89 -1.54 1.70 5.09 -1.99 -3.10 116.57 116.36 1ya3 h LYS 887 Ca -0.39 0.06 -0.63 0.00 0.09 0.00 0.00 60.65 59.78 1ya3 h LYS 887 Cb 1.28 0.20 -0.24 0.00 0.10 0.00 0.00 32.23 33.57 1ya3 h LYS 887 CO 0.45 -0.60 0.80 0.43 -2.09 0.00 0.00 179.45 178.44 1ya3 n SER 888 N -4.69 7.29 -0.31 7.07 7.64 -1.26 -4.77 113.62 124.59 1ya3 n SER 888 Ca -0.11 -3.61 0.13 0.00 1.01 0.00 0.00 58.87 56.29 1ya3 n SER 888 Cb 0.38 -1.06 0.28 0.00 -1.01 0.00 0.00 64.21 62.80 1ya3 n SER 888 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1ya3 h GLN 889 N 2.38 0.11 -0.58 1.43 5.75 -1.94 0.31 115.11 122.57 1ya3 h GLN 889 Ca 0.52 -0.01 0.08 0.00 -0.15 0.00 0.00 58.65 59.09 1ya3 h GLN 889 Cb 0.57 -0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.03 1ya3 h GLN 889 CO 1.31 0.07 0.24 0.00 -2.65 0.00 0.00 178.83 177.80 1ya3 h ALA 890 N 1.85 0.75 -0.42 3.38 0.00 -1.89 -0.55 119.26 122.37 1ya3 h ALA 890 Ca 0.56 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 55.39 1ya3 h ALA 890 Cb 1.14 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1ya3 h ALA 890 CO -0.75 -0.16 -0.33 0.00 0.00 0.00 0.00 179.25 178.01 1ya3 h ALA 891 N 1.38 0.63 0.09 0.00 0.00 -0.91 -2.81 119.26 117.63 1ya3 h ALA 891 Ca 0.28 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ya3 h ALA 891 Cb 0.31 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ya3 h ALA 891 CO -0.27 0.68 -0.23 0.35 0.00 0.00 0.00 179.25 179.78 1ya3 h PHE 892 N 0.79 -0.61 -0.53 0.00 3.57 0.04 -2.06 116.94 118.14 1ya3 h PHE 892 Ca 0.08 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 1ya3 h PHE 892 Cb 0.91 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.89 1ya3 h PHE 892 CO 0.06 -0.33 0.23 0.93 -2.23 0.00 0.00 178.31 176.97 1ya3 h GLU 893 N -0.41 0.75 0.16 1.11 5.08 -1.14 0.75 114.58 120.87 1ya3 h GLU 893 Ca 0.04 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1ya3 h GLU 893 Cb 0.45 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1ya3 h GLU 893 CO -0.15 0.60 -0.09 1.49 -1.00 0.00 0.00 179.01 179.87 1ya3 h GLU 894 N 0.75 -0.23 -0.33 2.33 4.81 -1.22 0.94 114.58 121.63 1ya3 h GLU 894 Ca 0.18 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1ya3 h GLU 894 Cb 0.12 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1ya3 h GLU 894 CO -0.02 -0.15 0.22 1.98 -0.73 0.00 0.00 179.01 180.30 1ya3 h MET 895 N -0.23 0.44 -0.67 1.92 4.05 -1.00 -1.57 114.93 117.87 1ya3 h MET 895 Ca -0.02 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1ya3 h MET 895 Cb 0.19 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 1ya3 h MET 895 CO 0.03 0.31 0.31 -0.09 0.23 0.00 0.00 176.91 177.70 1ya3 h ARG 896 N 0.45 0.98 -0.90 0.39 2.43 -0.68 -2.22 114.38 114.82 1ya3 h ARG 896 Ca 0.12 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1ya3 h ARG 896 Cb -0.03 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 1ya3 h ARG 896 CO -0.03 0.79 0.58 1.15 -1.51 0.00 0.00 179.97 180.95 1ya3 h THR 897 N 0.94 1.24 -0.70 0.20 2.02 -0.51 -1.68 112.91 114.40 1ya3 h THR 897 Ca 0.23 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.90 1ya3 h THR 897 Cb 0.14 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.45 1ya3 h THR 897 CO -0.03 0.23 0.22 0.78 0.37 0.00 0.00 175.52 177.09 1ya3 h ASN 898 N 1.23 1.03 0.58 4.18 -0.26 -0.73 0.98 115.58 122.58 1ya3 h ASN 898 Ca 0.33 -0.21 -0.12 0.00 -0.56 0.00 0.00 56.30 55.73 1ya3 h ASN 898 Cb -0.12 -0.27 -0.02 0.00 -1.06 0.00 0.00 38.32 36.86 1ya3 h ASN 898 CO -0.07 0.97 -0.59 1.88 -1.06 0.00 0.00 177.43 178.56 1ya3 h TYR 899 N 1.04 0.01 -0.44 1.19 0.05 -1.18 0.35 116.97 117.99 1ya3 h TYR 899 Ca 0.23 -0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.87 1ya3 h TYR 899 Cb 0.31 -0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.04 1ya3 h TYR 899 CO 0.02 0.59 -0.26 0.82 -1.05 0.00 0.00 178.16 178.28 1ya3 h ILE 900 N 0.01 1.27 -0.63 -2.88 2.04 -0.85 -1.75 117.51 114.71 1ya3 h ILE 900 Ca -0.01 -1.43 -0.08 0.00 1.00 0.00 0.00 64.86 64.35 1ya3 h ILE 900 Cb 1.04 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 1ya3 h ILE 900 CO 0.08 0.49 0.09 0.11 0.00 0.00 0.00 178.15 178.91 1ya3 h LYS 901 N 0.80 1.04 -0.62 2.37 1.57 0.19 -2.12 116.57 119.80 1ya3 h LYS 901 Ca 0.09 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1ya3 h LYS 901 Cb 0.84 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 1ya3 h LYS 901 CO 0.07 0.96 0.40 1.49 -0.57 0.00 0.00 179.45 181.81 1ya3 h GLU 902 N 0.97 0.82 -0.37 3.15 4.57 0.03 -0.07 114.58 123.68 1ya3 h GLU 902 Ca 0.19 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.29 1ya3 h GLU 902 Cb 0.44 -0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1ya3 h GLU 902 CO 0.01 0.55 0.13 1.25 -1.18 0.00 0.00 179.01 179.77 1ya3 h LEU 903 N 0.84 0.47 -0.07 1.64 5.85 -1.06 -2.01 115.31 120.96 1ya3 h LEU 903 Ca 0.23 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1ya3 h LEU 903 Cb -0.08 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 40.82 1ya3 h LEU 903 CO -0.05 0.45 0.00 -0.09 -0.34 0.00 0.00 178.44 178.41 1ya3 h ARG 904 N 0.52 0.13 -0.92 1.25 9.65 -0.54 -2.66 114.38 121.81 1ya3 h ARG 904 Ca 0.13 -0.04 0.18 0.00 -1.10 0.00 0.00 59.98 59.15 1ya3 h ARG 904 Cb 0.14 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.63 1ya3 h ARG 904 CO -0.01 0.39 0.59 -0.22 2.80 0.00 0.00 179.97 183.53 1ya3 h LYS 905 N -0.15 0.55 0.00 0.20 3.64 -0.47 -2.81 116.57 117.53 1ya3 h LYS 905 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1ya3 h LYS 905 Cb 0.33 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1ya3 h LYS 905 CO 0.00 0.36 0.00 -1.33 -2.27 0.00 0.00 179.45 176.22 1ya3 n MET 906 N -4.58 0.00 0.00 1.90 2.81 -0.81 -2.66 117.12 113.79 1ya3 n MET 906 Ca 0.20 0.38 0.00 0.00 -1.81 0.00 0.00 57.70 56.47 1ya3 n MET 906 Cb 0.61 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.83 1ya3 n MET 906 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ya3 n VAL 907 N -1.51 0.05 -3.32 2.03 0.31 -1.09 -5.13 118.33 109.68 1ya3 n VAL 907 Ca 0.00 0.02 -0.08 0.00 -0.01 0.00 0.00 64.34 64.27 1ya3 n VAL 907 Cb 0.00 -1.02 -0.07 0.00 -0.91 0.00 0.00 33.84 31.84 1ya3 n VAL 907 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 1ya3 s THR 908 N -1.75 -0.64 0.00 2.52 2.01 -1.08 -4.60 115.64 112.11 1ya3 s THR 908 Ca 0.00 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 61.84 1ya3 s THR 908 Cb 0.00 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.61 1ya3 s THR 908 CO 0.00 -0.19 0.00 -0.24 -0.69 0.00 0.00 174.62 173.50 1ya3 n SER 917 N 5.36 0.00 0.11 3.53 2.88 -1.26 -4.85 113.62 119.40 1ya3 n SER 917 Ca -0.02 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.64 1ya3 n SER 917 Cb 0.50 0.00 0.46 0.00 -0.75 0.00 0.00 64.21 64.42 1ya3 n SER 917 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 1ya3 n TRP 918 N 0.00 0.74 0.11 0.66 7.02 -1.26 -2.43 117.44 122.28 1ya3 n TRP 918 Ca 0.00 0.28 -0.01 0.00 -1.02 0.00 0.00 57.50 56.75 1ya3 n TRP 918 Cb 0.00 -0.94 -0.03 0.00 -2.42 0.00 0.00 31.31 27.92 1ya3 n TRP 918 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 1ya3 h GLN 919 N 0.00 0.00 -1.16 -0.99 1.08 -2.02 -3.31 115.11 108.70 1ya3 h GLN 919 Ca 0.00 0.00 0.33 0.00 -1.45 0.00 0.00 58.65 57.53 1ya3 h GLN 919 Cb 0.42 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 27.75 1ya3 h GLN 919 CO 0.00 0.62 0.77 -0.09 -0.95 0.00 0.00 178.83 179.18 1ya3 h ARG 920 N 0.00 0.22 0.43 1.46 2.43 -1.85 -0.13 114.38 116.94 1ya3 h ARG 920 Ca -0.02 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 1ya3 h ARG 920 Cb 1.52 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 31.00 1ya3 h ARG 920 CO 0.08 0.15 -0.46 0.35 -1.51 0.00 0.00 179.97 178.58 1ya3 h PHE 921 N 0.23 -1.28 -0.01 2.20 3.57 -1.78 -0.71 116.94 119.17 1ya3 h PHE 921 Ca 0.66 0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.17 1ya3 h PHE 921 Cb 1.98 0.50 -0.00 0.00 2.79 0.00 0.00 35.95 41.23 1ya3 h PHE 921 CO -0.00 -0.60 0.02 1.88 -2.23 0.00 0.00 178.31 177.38 1ya3 h TYR 922 N -0.89 0.00 -0.10 0.41 -1.99 -1.28 -1.27 116.97 111.86 1ya3 h TYR 922 Ca -0.05 0.00 -0.21 0.00 2.00 0.00 0.00 58.73 60.47 1ya3 h TYR 922 Cb 0.78 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.53 1ya3 h TYR 922 CO -0.26 0.00 -0.76 1.96 -0.00 0.00 0.00 178.16 179.11 1ya3 h GLN 923 N 0.00 0.69 -0.20 4.88 4.20 -0.81 -1.85 115.11 122.02 1ya3 h GLN 923 Ca 0.00 -0.61 -0.17 0.00 0.06 0.00 0.00 58.65 57.93 1ya3 h GLN 923 Cb 0.05 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1ya3 h GLN 923 CO -0.00 1.22 -0.58 -0.07 -0.67 0.00 0.00 178.83 178.72 1ya3 h LEU 924 N 0.36 0.72 -0.34 1.46 3.38 -0.10 -2.05 115.31 118.74 1ya3 h LEU 924 Ca -0.07 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1ya3 h LEU 924 Cb 1.40 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1ya3 h LEU 924 CO 0.15 1.14 0.00 0.71 0.09 0.00 0.00 178.44 180.53 1ya3 h THR 925 N 0.48 0.00 0.01 0.22 1.35 -1.31 -1.31 112.91 112.35 1ya3 h THR 925 Ca 0.00 -0.73 -0.13 0.00 -0.55 0.00 0.00 66.41 65.00 1ya3 h THR 925 Cb 1.15 1.70 0.01 0.00 -1.73 0.00 0.00 68.15 69.29 1ya3 h THR 925 CO 0.11 0.00 -0.53 0.50 -0.25 0.00 0.00 175.52 175.36 1ya3 h LYS 926 N 0.00 0.33 -0.85 4.72 1.63 -1.22 -2.69 116.57 118.48 1ya3 h LYS 926 Ca 0.00 -0.38 0.09 0.00 -0.85 0.00 0.00 60.65 59.51 1ya3 h LYS 926 Cb 0.80 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 32.48 1ya3 h LYS 926 CO 0.00 1.07 0.56 1.25 -3.45 0.00 0.00 179.45 178.88 1ya3 h LEU 927 N -0.25 0.78 -0.63 5.20 5.85 -1.12 -1.01 115.31 124.13 1ya3 h LEU 927 Ca -0.07 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.56 1ya3 h LEU 927 Cb 1.27 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1ya3 h LEU 927 CO 0.10 0.48 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.57 1ya3 h LEU 928 N 0.87 1.02 -0.89 2.25 3.38 -1.18 -2.51 115.31 118.26 1ya3 h LEU 928 Ca 0.39 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1ya3 h LEU 928 Cb 0.35 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1ya3 h LEU 928 CO -0.15 1.09 -0.16 0.44 0.09 0.00 0.00 178.44 179.75 1ya3 h ASP 929 N 0.94 0.63 0.27 -0.43 3.32 -0.89 -2.64 116.42 117.62 1ya3 h ASP 929 Ca 0.16 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 1ya3 h ASP 929 Cb 0.59 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1ya3 h ASP 929 CO 0.04 0.81 -0.27 0.77 -1.72 0.00 0.00 179.24 178.87 1ya3 h SER 930 N 0.58 0.00 -0.99 6.45 4.64 -1.04 -1.79 113.55 121.40 1ya3 h SER 930 Ca 0.09 -0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.48 1ya3 h SER 930 Cb 0.61 -0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.63 1ya3 h SER 930 CO 0.04 0.28 0.64 0.24 -0.87 0.00 0.00 176.83 177.16 1ya3 h MET 931 N 0.00 1.11 -0.72 4.77 2.86 -1.07 -1.73 114.93 120.15 1ya3 h MET 931 Ca -0.00 -0.07 0.14 0.00 -2.06 0.00 0.00 59.70 57.71 1ya3 h MET 931 Cb 0.48 -0.25 -0.10 0.00 0.06 0.00 0.00 31.60 31.80 1ya3 h MET 931 CO 0.04 0.73 0.24 0.45 1.06 0.00 0.00 176.91 179.43 1ya3 h HIS 932 N 1.14 0.40 -0.51 -0.22 3.86 -1.37 0.15 115.15 118.60 1ya3 h HIS 932 Ca 0.43 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.61 1ya3 h HIS 932 Cb 0.21 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1ya3 h HIS 932 CO -0.00 0.01 0.02 -0.44 0.86 0.00 0.00 177.93 178.38 1ya3 h ASP 933 N 0.36 0.86 -0.48 2.45 3.32 -1.40 -0.72 116.42 120.81 1ya3 h ASP 933 Ca 0.40 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1ya3 h ASP 933 Cb 0.62 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1ya3 h ASP 933 CO -0.43 0.94 -0.07 0.25 -1.72 0.00 0.00 179.24 178.21 1ya3 h LEU 934 N 0.75 0.90 -0.77 1.55 5.85 -0.88 -3.12 115.31 119.59 1ya3 h LEU 934 Ca 0.15 -0.34 -0.12 0.00 0.84 0.00 0.00 57.88 58.41 1ya3 h LEU 934 Cb 0.49 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1ya3 h LEU 934 CO 0.02 1.03 -0.57 0.58 -0.34 0.00 0.00 178.44 179.16 1ya3 h VAL 935 N 0.75 1.31 -0.04 1.05 2.07 -0.62 -2.42 116.25 118.36 1ya3 h VAL 935 Ca 0.13 -2.02 -0.06 0.00 0.82 0.00 0.00 66.70 65.57 1ya3 h VAL 935 Cb 0.61 2.12 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1ya3 h VAL 935 CO 0.04 0.56 -0.25 -1.28 0.02 0.00 0.00 177.57 176.66 1ya3 h SER 936 N 0.00 0.07 0.47 0.57 0.87 -1.07 -1.37 113.55 113.09 1ya3 h SER 936 Ca -0.01 -0.02 -0.30 0.00 -1.23 0.00 0.00 61.79 60.24 1ya3 h SER 936 Cb 1.07 -0.02 0.02 0.00 -0.44 0.00 0.00 62.40 63.03 1ya3 h SER 936 CO 0.07 0.32 -1.36 0.44 -0.53 0.00 0.00 176.83 175.77 1ya3 h ASP 937 N 0.06 0.59 -0.70 6.23 3.45 -1.50 -2.96 116.42 121.60 1ya3 h ASP 937 Ca 0.01 -0.65 0.02 0.00 0.43 0.00 0.00 57.03 56.85 1ya3 h ASP 937 Cb 0.48 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 39.01 1ya3 h ASP 937 CO 0.03 1.51 0.44 -0.07 -1.57 0.00 0.00 179.24 179.58 1ya3 h LEU 938 N 0.10 0.74 -0.43 1.55 4.07 -1.15 -2.38 115.31 117.80 1ya3 h LEU 938 Ca -0.19 -0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.59 1ya3 h LEU 938 Cb 2.06 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 43.63 1ya3 h LEU 938 CO 0.23 0.51 -0.65 -0.07 -1.08 0.00 0.00 178.44 177.39 1ya3 h LEU 939 N 0.87 0.60 -0.40 1.67 3.38 -1.32 -0.13 115.31 119.98 1ya3 h LEU 939 Ca 0.27 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1ya3 h LEU 939 Cb -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1ya3 h LEU 939 CO -0.10 1.09 0.18 -0.33 0.09 0.00 0.00 178.44 179.37 1ya3 h GLU 940 N 0.38 0.59 -0.47 1.13 5.08 -1.38 1.35 114.58 121.25 1ya3 h GLU 940 Ca -0.01 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1ya3 h GLU 940 Cb 1.21 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1ya3 h GLU 940 CO 0.12 0.53 -0.19 0.35 -1.00 0.00 0.00 179.01 178.82 1ya3 h PHE 941 N 0.51 1.06 -0.61 4.33 3.57 -1.39 -1.91 116.94 122.49 1ya3 h PHE 941 Ca 0.14 -0.24 -0.10 0.00 3.53 0.00 0.00 57.97 61.29 1ya3 h PHE 941 Cb 0.15 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.62 1ya3 h PHE 941 CO -0.01 1.04 -0.00 0.00 -2.23 0.00 0.00 178.31 177.11 1ya3 h PHE 943 N 0.98 0.37 0.08 0.00 0.04 0.19 -1.73 116.94 116.87 1ya3 h PHE 943 Ca 0.17 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.88 1ya3 h PHE 943 Cb 0.57 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1ya3 h PHE 943 CO 0.04 0.52 -0.04 -0.92 -0.60 0.00 0.00 178.31 177.31 1ya3 h TYR 944 N 0.32 -0.10 -0.37 -0.55 3.20 -1.02 -2.50 116.97 115.95 1ya3 h TYR 944 Ca 0.06 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 61.95 1ya3 h TYR 944 Cb 0.51 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 1ya3 h TYR 944 CO 0.01 0.40 0.25 1.15 -1.64 0.00 0.00 178.16 178.33 1ya3 h THR 945 N -0.67 1.02 0.01 1.81 2.02 -1.28 -1.83 112.91 114.00 1ya3 h THR 945 Ca -0.01 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.04 1ya3 h THR 945 Cb 0.54 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1ya3 h THR 945 CO 0.02 0.07 -0.01 0.15 0.37 0.00 0.00 175.52 176.12 1ya3 h PHE 946 N 0.38 -0.01 0.00 3.16 3.57 -1.31 0.24 116.94 122.98 1ya3 h PHE 946 Ca 0.15 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ya3 h PHE 946 Cb 0.12 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1ya3 h PHE 946 CO -0.00 0.21 -0.02 0.00 -2.23 0.00 0.00 178.31 176.26 1ya3 h ARG 947 N -0.23 0.00 -0.12 1.11 3.08 -0.88 -2.52 114.38 114.81 1ya3 h ARG 947 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ya3 h ARG 947 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1ya3 h ARG 947 CO 0.00 0.02 0.00 0.39 -1.07 0.00 0.00 179.97 179.32 1ya3 n GLU 948 N -3.31 1.76 -0.29 0.04 -0.58 -0.83 -4.74 120.64 112.68 1ya3 n GLU 948 Ca -0.02 -1.45 0.12 0.00 -0.42 0.00 0.00 57.16 55.39 1ya3 n GLU 948 Cb 0.14 -1.14 0.27 0.00 -0.57 0.00 0.00 31.44 30.15 1ya3 n GLU 948 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1ya3 h SER 949 N 1.15 0.03 -0.85 1.62 4.64 -0.05 0.44 113.55 120.52 1ya3 h SER 949 Ca 0.00 0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.53 1ya3 h SER 949 Cb 0.49 0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.77 1ya3 h SER 949 CO 0.00 -0.12 0.56 0.45 -0.87 0.00 0.00 176.83 176.85 1ya3 h HIS 950 N 0.24 1.05 0.07 4.77 3.86 -1.85 -0.72 115.15 122.56 1ya3 h HIS 950 Ca 0.53 0.03 -0.29 0.00 -1.16 0.00 0.00 60.37 59.47 1ya3 h HIS 950 Cb 1.04 -0.35 -0.02 0.00 1.06 0.00 0.00 27.41 29.13 1ya3 h HIS 950 CO -0.25 0.64 -1.55 0.00 0.86 0.00 0.00 177.93 177.63 1ya3 h ALA 951 N 1.48 0.45 0.00 2.45 0.00 -0.92 -3.35 119.26 119.37 1ya3 h ALA 951 Ca 0.33 -1.21 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1ya3 h ALA 951 Cb -0.06 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ya3 h ALA 951 CO -0.08 1.31 -0.04 -0.07 0.00 0.00 0.00 179.25 180.36 1ya3 h LEU 952 N 0.04 0.00 1.41 0.00 3.38 -0.18 -3.47 115.31 116.49 1ya3 h LEU 952 Ca -0.24 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.52 1ya3 h LEU 952 Cb 1.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 1ya3 h LEU 952 CO 0.13 0.01 -0.26 2.29 0.09 0.00 0.00 178.44 180.69 1ya3 n LYS 953 N -2.33 -0.80 -3.50 1.13 -0.00 -0.29 -4.88 118.16 107.49 1ya3 n LYS 953 Ca 0.05 0.50 -0.42 0.00 -0.00 0.00 0.00 58.31 58.45 1ya3 n LYS 953 Cb 0.44 -4.56 -0.10 0.00 -0.00 0.00 0.00 35.03 30.81 1ya3 n LYS 953 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1ya3 s VAL 954 N -2.50 5.22 0.15 0.58 0.11 -1.15 -4.80 120.40 118.01 1ya3 s VAL 954 Ca 0.00 -0.48 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 1ya3 s VAL 954 Cb 0.00 -3.81 -0.07 0.00 -1.53 0.00 0.00 36.38 30.97 1ya3 s VAL 954 CO 0.00 -0.18 1.16 -1.61 -3.33 0.00 0.00 175.10 171.15 1ya3 s GLU 955 N 1.69 4.51 -0.08 1.54 2.02 -1.26 -4.75 118.70 122.37 1ya3 s GLU 955 Ca 0.05 1.79 0.04 0.00 0.02 0.00 0.00 54.97 56.88 1ya3 s GLU 955 Cb -0.18 -3.28 -0.00 0.00 0.10 0.00 0.00 34.13 30.77 1ya3 s GLU 955 CO 0.10 -0.08 -0.21 -0.06 0.02 0.00 0.00 175.26 175.03 1ya3 s PHE 956 N 0.17 2.21 0.55 1.61 0.40 -1.26 -4.55 117.98 117.12 1ya3 s PHE 956 Ca 0.53 -0.81 -0.19 0.00 -0.60 0.00 0.00 56.93 55.86 1ya3 s PHE 956 Cb -0.31 -1.49 -0.05 0.00 0.51 0.00 0.00 43.02 41.68 1ya3 s PHE 956 CO 0.34 -0.32 1.13 -2.14 0.70 0.00 0.00 175.22 174.93 1ya3 s PRO 957 N 0.26 3.29 0.32 0.24 0.02 -1.26 -4.79 135.00 133.08 1ya3 s PRO 957 Ca -0.13 1.60 0.10 0.00 0.02 0.00 0.00 61.00 62.59 1ya3 s PRO 957 Cb -0.16 -2.00 0.94 0.00 0.02 0.00 0.00 34.50 33.31 1ya3 s PRO 957 CO 0.06 -0.89 1.69 0.00 -0.33 0.00 0.00 177.00 177.52 1ya3 h ALA 958 N 1.09 1.77 0.47 -1.55 0.00 -1.99 -0.06 119.26 118.99 1ya3 h ALA 958 Ca -0.50 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.56 1ya3 h ALA 958 Cb 1.26 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1ya3 h ALA 958 CO 0.57 -0.44 -0.23 1.98 0.00 0.00 0.00 179.25 181.13 1ya3 h MET 959 N 0.40 -0.61 -0.68 0.00 1.85 -1.95 0.11 114.93 114.06 1ya3 h MET 959 Ca 0.67 0.04 0.04 0.00 -0.61 0.00 0.00 59.70 59.84 1ya3 h MET 959 Cb 1.40 0.14 -0.05 0.00 0.43 0.00 0.00 31.60 33.52 1ya3 h MET 959 CO -0.56 -0.33 0.41 -0.07 -0.40 0.00 0.00 176.91 175.95 1ya3 h LEU 960 N -0.79 0.65 -0.91 3.39 4.07 -1.65 -0.02 115.31 120.05 1ya3 h LEU 960 Ca -0.06 0.01 0.05 0.00 0.08 0.00 0.00 57.88 57.96 1ya3 h LEU 960 Cb 0.55 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.11 1ya3 h LEU 960 CO 0.11 0.44 0.58 0.58 -1.08 0.00 0.00 178.44 179.07 1ya3 h VAL 961 N 0.78 1.09 -0.25 1.22 2.07 -0.93 0.17 116.25 120.40 1ya3 h VAL 961 Ca 0.28 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.45 1ya3 h VAL 961 Cb 0.08 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 1ya3 h VAL 961 CO -0.13 0.20 0.12 -0.08 0.02 0.00 0.00 177.57 177.70 1ya3 h GLU 962 N 1.08 0.26 0.13 1.57 4.57 0.99 -1.98 114.58 121.20 1ya3 h GLU 962 Ca 0.39 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.54 1ya3 h GLU 962 Cb 0.12 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1ya3 h GLU 962 CO -0.16 0.17 -0.06 0.82 -1.18 0.00 0.00 179.01 178.60 1ya3 h ILE 963 N 0.27 1.04 -0.80 2.32 2.04 -0.40 -3.18 117.51 118.80 1ya3 h ILE 963 Ca 0.10 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 64.97 1ya3 h ILE 963 Cb 0.03 1.63 -0.04 0.00 -0.74 0.00 0.00 36.82 37.70 1ya3 h ILE 963 CO -0.07 0.23 0.50 0.40 0.00 0.00 0.00 178.15 179.21 1ya3 h ILE 964 N -0.67 1.21 0.48 -0.67 2.04 -1.05 -1.78 117.51 117.07 1ya3 h ILE 964 Ca -0.02 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1ya3 h ILE 964 Cb 0.50 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ya3 h ILE 964 CO 0.03 0.22 -0.31 -1.28 0.00 0.00 0.00 178.15 176.81 1ya3 h SER 965 N 1.09 -0.79 -0.13 1.72 0.87 -1.43 -2.37 113.55 112.51 1ya3 h SER 965 Ca 0.29 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1ya3 h SER 965 Cb -0.08 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.11 1ya3 h SER 965 CO -0.06 -0.47 0.00 -0.90 -0.53 0.00 0.00 176.83 174.87 1ya3 n ASP 966 N -4.29 1.53 -0.11 6.23 5.68 -1.19 -3.20 116.55 121.20 1ya3 n ASP 966 Ca -0.09 -2.12 -0.22 0.00 -0.50 0.00 0.00 54.79 51.86 1ya3 n ASP 966 Cb 0.31 -0.38 -0.12 0.00 -1.14 0.00 0.00 41.12 39.80 1ya3 n ASP 966 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1ya3 n GLN 967 N 0.06 0.64 -0.22 0.11 7.27 -0.68 -4.18 117.38 120.39 1ya3 n GLN 967 Ca 0.05 0.22 0.01 0.00 0.07 0.00 0.00 57.00 57.36 1ya3 n GLN 967 Cb 0.33 -1.55 0.10 0.00 2.41 0.00 0.00 30.24 31.52 1ya3 n GLN 967 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 1ya3 h LEU 968 N -0.32 -0.39 -1.71 1.69 3.38 -1.40 0.08 115.31 116.65 1ya3 h LEU 968 Ca -0.58 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.53 1ya3 h LEU 968 Cb 1.81 0.33 -0.00 0.00 0.09 0.00 0.00 40.66 42.88 1ya3 h LEU 968 CO -0.16 -0.16 -0.16 -0.65 0.09 0.00 0.00 178.44 177.40 1ya3 h PRO 969 N 0.07 0.00 -0.00 1.13 0.11 -1.77 0.77 132.00 132.31 1ya3 h PRO 969 Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1ya3 h PRO 969 Cb 0.55 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.66 1ya3 h PRO 969 CO -0.60 0.16 -0.07 1.63 -0.21 0.00 0.00 178.00 178.91 1ya3 n LYS 970 N -4.26 0.79 -0.06 1.05 5.02 -0.06 -4.14 118.16 116.50 1ya3 n LYS 970 Ca -0.02 -0.24 -0.13 0.00 -2.02 0.00 0.00 58.31 55.89 1ya3 n LYS 970 Cb 0.23 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.70 1ya3 n LYS 970 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1ya3 n VAL 971 N -0.90 0.73 -0.95 -0.18 0.31 -0.60 -3.52 118.33 113.22 1ya3 n VAL 971 Ca 0.16 -0.15 -0.35 0.00 -0.01 0.00 0.00 64.34 63.99 1ya3 n VAL 971 Cb 0.26 -1.69 0.07 0.00 -0.91 0.00 0.00 33.84 31.57 1ya3 n VAL 971 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ya3 n GLU 972 N -3.59 -0.09 -4.03 5.55 4.71 0.17 -1.53 120.64 121.83 1ya3 n GLU 972 Ca -0.24 -0.01 -0.31 0.00 -0.01 0.00 0.00 57.16 56.59 1ya3 n GLU 972 Cb 0.66 -1.34 -0.00 0.00 -1.01 0.00 0.00 31.44 29.74 1ya3 n GLU 972 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1ya3 n SER 973 N 1.56 -3.01 -3.91 1.62 2.88 -1.26 -1.14 113.62 110.37 1ya3 n SER 973 Ca 0.02 -0.92 -0.31 0.00 -1.33 0.00 0.00 58.87 56.33 1ya3 n SER 973 Cb 0.54 -3.27 -0.00 0.00 -0.75 0.00 0.00 64.21 60.74 1ya3 n SER 973 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ya3 n GLY 974 N -1.63 -0.48 0.00 0.46 0.00 -1.18 -4.80 105.19 97.57 1ya3 n GLY 974 Ca -0.04 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.15 1ya3 n GLY 974 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ya3 n ASN 975 N -2.64 0.00 -4.40 1.61 3.02 -0.29 -4.68 115.26 107.89 1ya3 n ASN 975 Ca 0.05 -1.83 -0.27 0.00 -0.03 0.00 0.00 54.58 52.50 1ya3 n ASN 975 Cb 0.51 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.56 1ya3 n ASN 975 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ya3 s ALA 976 N -2.00 2.40 -0.15 5.41 0.00 -1.23 -1.24 121.76 124.95 1ya3 s ALA 976 Ca 0.07 -1.56 -0.04 0.00 0.00 0.00 0.00 51.96 50.43 1ya3 s ALA 976 Cb 0.03 -0.32 0.05 0.00 0.00 0.00 0.00 23.12 22.89 1ya3 s ALA 976 CO 0.05 0.43 0.06 0.21 0.00 0.00 0.00 175.76 176.51 1ya3 s LYS 977 N -2.50 0.30 0.23 0.00 2.20 0.17 -4.54 119.74 115.60 1ya3 s LYS 977 Ca 0.18 -0.11 -0.30 0.00 -0.36 0.00 0.00 55.97 55.38 1ya3 s LYS 977 Cb -0.08 -1.66 -0.09 0.00 -1.51 0.00 0.00 37.83 34.49 1ya3 s LYS 977 CO 0.08 -0.58 1.00 -2.14 -0.36 0.00 0.00 175.35 173.36 1ya3 s PRO 978 N 2.03 4.76 -0.22 4.03 0.02 -1.26 -1.23 135.00 143.14 1ya3 s PRO 978 Ca 0.02 1.59 -0.07 0.00 0.02 0.00 0.00 61.00 62.55 1ya3 s PRO 978 Cb -0.15 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.07 1ya3 s PRO 978 CO -0.07 0.37 0.07 -0.51 -0.33 0.00 0.00 177.00 176.53 1ya3 s LEU 979 N -1.09 3.64 0.26 -5.54 1.43 0.97 -4.97 118.68 113.40 1ya3 s LEU 979 Ca 0.43 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.56 1ya3 s LEU 979 Cb -0.28 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1ya3 s LEU 979 CO 0.35 0.06 0.02 -0.31 0.23 0.00 0.00 176.35 176.70 1ya3 s TYR 980 N 1.04 2.75 -0.10 0.29 2.02 -1.26 -4.89 117.35 117.20 1ya3 s TYR 980 Ca 0.04 -0.21 0.21 0.00 -0.37 0.00 0.00 57.07 56.75 1ya3 s TYR 980 Cb -0.14 -1.22 -0.25 0.00 -0.40 0.00 0.00 41.96 39.95 1ya3 s TYR 980 CO 0.03 0.61 0.56 1.19 -1.57 0.00 0.00 175.55 176.37 1ya3 n PHE 981 N -0.93 0.26 -0.87 2.71 3.72 -1.26 -5.13 117.46 115.96 1ya3 n PHE 981 Ca -0.07 0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1ya3 n PHE 981 Cb 0.59 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1ya3 n PHE 981 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43