#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 0.10 -0.15 -1.46 0.11 -2.05 0.31 132.00 128.86 1ya3 h PRO 738 Ca 0.00 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 1ya3 h PRO 738 Cb 0.00 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1ya3 h PRO 738 CO 0.00 0.07 -0.38 -0.24 -0.21 0.00 0.00 178.00 177.24 1ya3 h VAL 739 N 0.10 1.30 -0.44 3.15 3.04 -1.99 -2.77 116.25 118.63 1ya3 h VAL 739 Ca 0.33 -1.46 -0.04 0.00 -1.01 0.00 0.00 66.70 64.52 1ya3 h VAL 739 Cb 0.54 1.60 -0.02 0.00 -2.01 0.00 0.00 31.29 31.40 1ya3 h VAL 739 CO -0.56 0.45 0.11 -0.03 -1.01 0.00 0.00 177.57 176.53 1ya3 h MET 740 N 0.28 0.70 -0.50 4.17 -1.53 -0.95 -2.31 114.93 114.79 1ya3 h MET 740 Ca 0.03 -0.16 -0.07 0.00 -3.44 0.00 0.00 59.70 56.05 1ya3 h MET 740 Cb 0.79 -0.09 -0.02 0.00 -0.55 0.00 0.00 31.60 31.73 1ya3 h MET 740 CO 0.06 0.70 0.02 -0.39 0.14 0.00 0.00 176.91 177.44 1ya3 h VAL 741 N 0.57 1.26 -0.97 -5.77 -1.51 -0.84 -2.66 116.25 106.33 1ya3 h VAL 741 Ca 0.14 -1.04 0.12 0.00 -1.23 0.00 0.00 66.70 64.69 1ya3 h VAL 741 Cb 0.31 0.95 -0.08 0.00 -2.13 0.00 0.00 31.29 30.34 1ya3 h VAL 741 CO 0.00 0.37 0.61 -0.07 -1.23 0.00 0.00 177.57 177.25 1ya3 h LEU 742 N 0.73 0.86 -1.12 4.19 3.38 -1.30 0.84 115.31 122.90 1ya3 h LEU 742 Ca 0.14 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.12 1ya3 h LEU 742 Cb 0.48 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1ya3 h LEU 742 CO 0.02 0.46 -0.17 -0.33 0.09 0.00 0.00 178.44 178.51 1ya3 h GLU 743 N 0.93 0.00 0.03 1.13 5.08 -1.09 -3.00 114.58 117.65 1ya3 h GLU 743 Ca 0.47 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.79 1ya3 h GLU 743 Cb 0.51 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1ya3 h GLU 743 CO -0.24 0.17 -0.20 -0.97 -1.00 0.00 0.00 179.01 176.78 1ya3 h ASN 744 N 0.00 0.12 0.00 1.42 -0.73 -0.56 -3.31 115.58 112.52 1ya3 h ASN 744 Ca -0.00 -0.96 0.00 0.00 1.87 0.00 0.00 56.30 57.21 1ya3 h ASN 744 Cb 0.72 -0.04 0.00 0.00 0.27 0.00 0.00 38.32 39.27 1ya3 h ASN 744 CO 0.02 1.07 0.00 2.30 -0.37 0.00 0.00 177.43 180.45 1ya3 n ILE 745 N -4.50 0.00 -0.51 2.57 -5.35 -0.54 -5.12 119.36 105.91 1ya3 n ILE 745 Ca -0.11 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.07 1ya3 n ILE 745 Cb 0.55 -0.36 0.28 0.00 -1.74 0.00 0.00 39.64 38.37 1ya3 n ILE 745 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1ya3 s GLU 746 N -2.00 -2.56 0.00 6.28 2.56 -1.14 -4.70 118.70 117.14 1ya3 s GLU 746 Ca 0.28 0.13 0.00 0.00 0.00 0.00 0.00 54.97 55.38 1ya3 s GLU 746 Cb 0.13 -1.42 0.00 0.00 2.00 0.00 0.00 34.13 34.84 1ya3 s GLU 746 CO 0.21 -4.63 0.00 0.28 -0.56 0.00 0.00 175.26 170.56 1ya3 n VAL 750 N -5.46 0.00 -2.36 3.70 0.31 -1.26 -5.09 118.33 108.17 1ya3 n VAL 750 Ca 0.12 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.13 1ya3 n VAL 750 Cb 0.60 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.50 1ya3 n VAL 750 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1ya3 s TYR 751 N 0.00 3.39 -0.10 3.52 1.51 -1.26 -4.56 117.35 119.85 1ya3 s TYR 751 Ca 0.00 1.47 -0.17 0.00 -1.01 0.00 0.00 57.07 57.37 1ya3 s TYR 751 Cb 0.00 -2.82 -0.27 0.00 -0.11 0.00 0.00 41.96 38.76 1ya3 s TYR 751 CO 0.00 -0.45 0.58 0.00 -1.11 0.00 0.00 175.55 174.57 1ya3 h ALA 752 N 0.88 0.15 0.00 3.71 0.00 -1.93 -3.46 119.26 118.60 1ya3 h ALA 752 Ca -0.47 -1.04 0.00 0.00 0.00 0.00 0.00 54.91 53.40 1ya3 h ALA 752 Cb 1.19 0.44 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1ya3 h ALA 752 CO 0.61 0.76 0.00 0.41 0.00 0.00 0.00 179.25 181.03 1ya3 n GLY 753 N 1.72 0.94 3.71 0.00 0.00 -1.26 -4.37 105.19 105.92 1ya3 n GLY 753 Ca -0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.37 3.53 -0.66 1.61 5.04 -1.26 -5.02 117.35 119.22 1ya3 s TYR 754 Ca 0.00 1.47 0.02 0.00 -2.44 0.00 0.00 57.07 56.13 1ya3 s TYR 754 Cb 0.00 -3.29 0.16 0.00 0.35 0.00 0.00 41.96 39.18 1ya3 s TYR 754 CO 0.00 -0.74 0.45 0.34 -1.34 0.00 0.00 175.55 174.27 1ya3 s ASP 755 N 1.01 4.89 -0.68 4.32 3.68 -1.26 -5.11 116.67 123.52 1ya3 s ASP 755 Ca 0.56 -3.42 -0.26 0.00 2.13 0.00 0.00 52.55 51.56 1ya3 s ASP 755 Cb -0.26 -1.71 -0.09 0.00 -1.45 0.00 0.00 42.92 39.41 1ya3 s ASP 755 CO 0.29 -0.19 2.28 -0.44 0.13 0.00 0.00 175.17 177.24 1ya3 s SER 756 N -0.57 4.42 0.00 -0.34 0.01 -1.26 -5.22 113.70 110.74 1ya3 s SER 756 Ca 0.21 0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.82 1ya3 s SER 756 Cb -0.14 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.56 1ya3 s SER 756 CO -0.09 -3.20 0.00 -0.67 0.41 0.00 0.00 173.24 169.70 1ya3 n ASP 760 N 16.36 0.00 -3.28 2.44 -0.08 -1.26 -5.35 116.55 125.38 1ya3 n ASP 760 Ca 0.39 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.52 1ya3 n ASP 760 Cb 0.49 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.90 1ya3 n ASP 760 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1ya3 s THR 761 N 0.00 0.00 0.14 5.18 -4.23 -1.26 -5.03 115.64 110.44 1ya3 s THR 761 Ca 0.00 -1.67 -0.14 0.00 -1.18 0.00 0.00 61.69 58.70 1ya3 s THR 761 Cb 0.00 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.24 1ya3 s THR 761 CO 0.00 0.00 1.66 0.00 -0.54 0.00 0.00 174.62 175.74 1ya3 h ALA 762 N 2.12 0.62 -0.66 3.99 0.00 -1.90 -0.56 119.26 122.88 1ya3 h ALA 762 Ca -0.28 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1ya3 h ALA 762 Cb 1.24 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 1ya3 h ALA 762 CO 0.38 0.30 0.18 1.05 0.00 0.00 0.00 179.25 181.16 1ya3 h GLU 763 N 0.63 1.03 -0.04 0.00 9.09 -1.87 -1.13 114.58 122.31 1ya3 h GLU 763 Ca 0.15 -0.23 -0.19 0.00 0.05 0.00 0.00 59.36 59.14 1ya3 h GLU 763 Cb 0.30 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.25 1ya3 h GLU 763 CO -0.00 0.91 -0.80 -0.91 0.05 0.00 0.00 179.01 178.26 1ya3 h ASN 764 N 0.99 0.40 -0.24 3.06 4.21 -1.81 -1.68 115.58 120.51 1ya3 h ASN 764 Ca 0.21 -0.28 -0.09 0.00 1.21 0.00 0.00 56.30 57.35 1ya3 h ASN 764 Cb 0.33 -0.12 -0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1ya3 h ASN 764 CO -0.00 1.04 -0.20 -0.07 -1.29 0.00 0.00 177.43 176.91 1ya3 h LEU 765 N 0.20 0.60 -0.98 1.61 3.38 -0.92 -1.66 115.31 117.54 1ya3 h LEU 765 Ca -0.04 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.42 1ya3 h LEU 765 Cb 1.39 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 1ya3 h LEU 765 CO 0.13 0.93 0.14 -0.07 0.09 0.00 0.00 178.44 179.67 1ya3 h LEU 766 N 0.27 0.83 -1.06 1.67 3.38 -1.22 -1.85 115.31 117.33 1ya3 h LEU 766 Ca 0.04 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1ya3 h LEU 766 Cb 0.75 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1ya3 h LEU 766 CO 0.05 0.80 -0.28 0.28 0.09 0.00 0.00 178.44 179.39 1ya3 h SER 767 N 0.85 0.33 -0.06 -0.43 0.02 -1.16 -2.44 113.55 110.67 1ya3 h SER 767 Ca 0.19 -0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.88 1ya3 h SER 767 Cb 0.30 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.76 1ya3 h SER 767 CO -0.00 0.61 -0.54 0.74 -1.14 0.00 0.00 176.83 176.50 1ya3 h THR 768 N 0.29 1.39 -0.51 -2.27 2.02 -0.91 -2.64 112.91 110.29 1ya3 h THR 768 Ca 0.04 -1.92 -0.01 0.00 0.77 0.00 0.00 66.41 65.29 1ya3 h THR 768 Cb 0.65 2.35 -0.03 0.00 -1.74 0.00 0.00 68.15 69.38 1ya3 h THR 768 CO 0.05 0.57 0.27 -0.07 0.37 0.00 0.00 175.52 176.71 1ya3 h LEU 769 N 0.03 0.62 -0.25 2.58 3.38 -1.31 0.22 115.31 120.58 1ya3 h LEU 769 Ca -0.05 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1ya3 h LEU 769 Cb 1.21 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1ya3 h LEU 769 CO 0.11 0.51 -0.03 0.78 0.09 0.00 0.00 178.44 179.90 1ya3 h ASN 770 N 0.71 0.46 -0.07 -0.43 -0.26 -1.43 0.37 115.58 114.93 1ya3 h ASN 770 Ca 0.18 -0.34 -0.00 0.00 -0.56 0.00 0.00 56.30 55.58 1ya3 h ASN 770 Cb 0.03 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.16 1ya3 h ASN 770 CO -0.03 0.69 0.03 0.03 -1.06 0.00 0.00 177.43 177.08 1ya3 h ARG 771 N 0.22 0.10 -1.00 0.81 2.47 -1.03 -1.40 114.38 114.55 1ya3 h ARG 771 Ca 0.07 -0.02 0.09 0.00 -1.26 0.00 0.00 59.98 58.86 1ya3 h ARG 771 Cb 0.47 -0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.70 1ya3 h ARG 771 CO 0.02 0.21 0.64 1.25 0.56 0.00 0.00 179.97 182.65 1ya3 h LEU 772 N -0.04 0.99 -0.63 3.04 5.85 -0.51 -0.51 115.31 123.50 1ya3 h LEU 772 Ca 0.02 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.84 1ya3 h LEU 772 Cb 0.15 -0.18 -0.06 0.00 0.37 0.00 0.00 40.66 40.93 1ya3 h LEU 772 CO -0.00 0.60 0.30 0.00 -0.34 0.00 0.00 178.44 179.00 1ya3 h ALA 773 N 1.49 0.84 -0.03 1.25 0.00 0.33 0.43 119.26 123.56 1ya3 h ALA 773 Ca 0.45 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.33 1ya3 h ALA 773 Cb 0.29 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ya3 h ALA 773 CO -0.20 -0.08 -0.37 0.78 0.00 0.00 0.00 179.25 179.37 1ya3 h GLY 774 N 0.54 0.07 1.67 0.00 0.00 -0.05 -1.46 103.07 103.85 1ya3 h GLY 774 Ca 0.30 -0.06 -0.14 0.00 0.00 0.00 0.00 47.33 47.43 1ya3 h GLY 774 CO -0.24 0.05 -0.55 0.50 0.00 0.00 0.00 176.54 176.31 1ya3 h LYS 775 N 0.06 0.34 0.00 4.80 1.79 -0.20 -2.93 116.57 120.43 1ya3 h LYS 775 Ca 0.00 -0.21 -0.08 0.00 -2.18 0.00 0.00 60.65 58.18 1ya3 h LYS 775 Cb 0.69 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.35 1ya3 h LYS 775 CO 0.05 0.80 -0.37 1.96 -1.08 0.00 0.00 179.45 180.81 1ya3 h GLN 776 N 0.27 0.00 0.00 3.15 4.20 -0.41 -3.20 115.11 119.11 1ya3 h GLN 776 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1ya3 h GLN 776 Cb 1.04 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.82 1ya3 h GLN 776 CO 0.09 0.37 -0.07 0.52 -0.67 0.00 0.00 178.83 179.07 1ya3 h MET 777 N 0.00 0.00 -0.03 1.46 2.86 -1.09 -1.07 114.93 117.07 1ya3 h MET 777 Ca -0.00 0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.40 1ya3 h MET 777 Cb 1.05 0.00 0.02 0.00 0.06 0.00 0.00 31.60 32.73 1ya3 h MET 777 CO 0.05 0.07 -0.89 0.82 1.06 0.00 0.00 176.91 178.01 1ya3 h ILE 778 N 0.00 1.31 -0.59 -1.22 2.04 -1.57 -1.49 117.51 115.99 1ya3 h ILE 778 Ca -0.00 -2.15 -0.07 0.00 1.00 0.00 0.00 64.86 63.64 1ya3 h ILE 778 Cb 0.66 2.36 -0.02 0.00 -0.74 0.00 0.00 36.82 39.07 1ya3 h ILE 778 CO 0.01 0.66 0.12 1.56 0.00 0.00 0.00 178.15 180.50 1ya3 h GLN 779 N 0.31 0.97 0.21 2.37 1.08 -1.58 0.14 115.11 118.60 1ya3 h GLN 779 Ca -0.10 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 56.84 1ya3 h GLN 779 Cb 1.55 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 1ya3 h GLN 779 CO 0.18 0.91 -0.10 0.28 -0.95 0.00 0.00 178.83 179.14 1ya3 h VAL 780 N 0.88 0.80 0.00 -0.54 2.07 -1.19 0.36 116.25 118.63 1ya3 h VAL 780 Ca 0.18 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1ya3 h VAL 780 Cb 0.39 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1ya3 h VAL 780 CO 0.01 0.01 -0.11 1.62 0.02 0.00 0.00 177.57 179.12 1ya3 h VAL 781 N -0.29 0.82 -0.00 2.57 3.04 -0.96 0.40 116.25 121.82 1ya3 h VAL 781 Ca -0.03 -0.41 -0.22 0.00 -1.01 0.00 0.00 66.70 65.03 1ya3 h VAL 781 Cb 0.23 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 30.74 1ya3 h VAL 781 CO 0.05 0.11 -0.92 0.11 -1.01 0.00 0.00 177.57 175.90 1ya3 h LYS 782 N 0.00 0.39 -0.45 4.17 1.57 -0.00 -2.89 116.57 119.35 1ya3 h LYS 782 Ca -0.00 -0.41 -0.12 0.00 -1.87 0.00 0.00 60.65 58.26 1ya3 h LYS 782 Cb 0.23 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1ya3 h LYS 782 CO 0.01 1.08 -0.17 2.35 -0.57 0.00 0.00 179.45 182.15 1ya3 h TRP 783 N 0.22 1.04 0.00 -1.35 7.01 0.82 -3.21 115.95 120.47 1ya3 h TRP 783 Ca -0.07 -0.24 -0.01 0.00 2.11 0.00 0.00 58.89 60.67 1ya3 h TRP 783 Cb 1.55 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 28.36 1ya3 h TRP 783 CO 0.06 1.03 -0.06 0.00 -2.79 0.00 0.00 178.44 176.67 1ya3 h ALA 784 N 0.85 0.98 0.00 2.65 0.00 -1.00 -3.15 119.26 119.59 1ya3 h ALA 784 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1ya3 h ALA 784 Cb 0.73 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ya3 h ALA 784 CO 0.06 0.08 0.00 1.57 0.00 0.00 0.00 179.25 180.96 1ya3 h LYS 785 N 0.00 0.00 -0.26 0.00 2.10 -1.51 -2.63 116.57 114.27 1ya3 h LYS 785 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1ya3 h LYS 785 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 1ya3 h LYS 785 CO 0.01 0.00 0.00 1.33 -2.00 0.00 0.00 179.45 178.79 1ya3 n VAL 786 N -3.07 0.54 -1.96 0.07 0.24 -1.21 -4.72 118.33 108.22 1ya3 n VAL 786 Ca 0.02 -0.77 -0.42 0.00 -2.04 0.00 0.00 64.34 61.13 1ya3 n VAL 786 Cb 0.39 0.88 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 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 -1.12 4.17 0.21 1.34 2.96 -0.99 -4.91 118.68 120.34 1ya3 s LEU 787 Ca 0.25 2.12 -0.32 0.00 -0.22 0.00 0.00 54.13 55.96 1ya3 s LEU 787 Cb 0.15 -3.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.17 1ya3 s LEU 787 CO 0.20 -1.09 1.55 -2.65 -1.32 0.00 0.00 176.35 173.04 1ya3 n PRO 788 N 7.42 2.27 0.00 0.98 -0.02 -1.26 0.65 135.00 145.05 1ya3 n PRO 788 Ca 0.19 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.48 1ya3 n PRO 788 Cb 0.43 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 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 2.92 2.04 0.29 -1.23 0.00 -1.26 -4.48 105.19 103.48 1ya3 n GLY 789 Ca 0.14 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 46.03 1ya3 n GLY 789 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ya3 h PHE 790 N 0.00 0.00 0.00 1.61 3.57 -1.87 0.23 116.94 120.48 1ya3 h PHE 790 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1ya3 h PHE 790 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1ya3 h PHE 790 CO 0.00 0.00 0.02 1.17 -2.23 0.00 0.00 178.31 177.27 1ya3 n LYS 791 N -4.37 0.09 0.00 1.11 3.00 0.21 -2.49 118.16 115.71 1ya3 n LYS 791 Ca -0.00 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.89 1ya3 n LYS 791 Cb 0.20 -1.83 0.00 0.00 0.00 0.00 0.00 35.03 33.40 1ya3 n LYS 791 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1ya3 n ASN 792 N -2.01 1.55 -4.79 3.14 5.03 0.07 -5.01 115.26 113.25 1ya3 n ASN 792 Ca -0.01 -1.68 -0.35 0.00 0.87 0.00 0.00 54.58 53.41 1ya3 n ASN 792 Cb 0.04 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.77 1ya3 n ASN 792 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ya3 s LEU 793 N -0.68 3.95 0.36 3.41 1.43 -1.04 -4.93 118.68 121.18 1ya3 s LEU 793 Ca 0.00 1.99 -0.25 0.00 -1.03 0.00 0.00 54.13 54.83 1ya3 s LEU 793 Cb 0.00 -4.42 -0.13 0.00 0.03 0.00 0.00 46.19 41.67 1ya3 s LEU 793 CO 0.00 -0.70 0.89 -0.81 0.23 0.00 0.00 176.35 175.96 1ya3 n PRO 794 N -0.64 1.13 -0.33 1.29 -0.04 -1.26 -4.63 135.00 130.50 1ya3 n PRO 794 Ca 0.08 0.40 0.20 0.00 -0.04 0.00 0.00 63.50 64.14 1ya3 n PRO 794 Cb 0.51 -1.81 0.45 0.00 -0.04 0.00 0.00 33.50 32.61 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 1.53 0.56 0.12 1.53 7.12 -1.97 -1.61 115.31 122.60 1ya3 h LEU 795 Ca -0.41 0.11 0.02 0.00 0.13 0.00 0.00 57.88 57.73 1ya3 h LEU 795 Cb 1.36 0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 41.46 1ya3 h LEU 795 CO 0.57 0.10 -0.38 -0.33 -0.13 0.00 0.00 178.44 178.28 1ya3 h GLU 796 N 0.49 -0.59 -0.92 1.25 3.07 -2.01 -2.29 114.58 113.58 1ya3 h GLU 796 Ca 0.62 0.04 0.05 0.00 -0.50 0.00 0.00 59.36 59.56 1ya3 h GLU 796 Cb 1.36 0.13 -0.06 0.00 -0.84 0.00 0.00 28.75 29.35 1ya3 h GLU 796 CO -0.38 -0.39 0.60 -0.44 -1.40 0.00 0.00 179.01 177.00 1ya3 h ASP 797 N -0.61 0.97 -0.18 1.42 3.32 -1.64 -1.90 116.42 117.80 1ya3 h ASP 797 Ca 0.03 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.10 1ya3 h ASP 797 Cb 0.64 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1ya3 h ASP 797 CO -0.22 0.65 0.02 1.56 -1.72 0.00 0.00 179.24 179.53 1ya3 h GLN 798 N 1.11 0.08 -0.48 3.56 4.20 -1.01 -0.38 115.11 122.20 1ya3 h GLN 798 Ca 0.38 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.97 1ya3 h GLN 798 Cb 0.09 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1ya3 h GLN 798 CO -0.13 0.05 -0.15 0.82 -0.67 0.00 0.00 178.83 178.76 1ya3 h ILE 799 N 0.09 1.27 -0.96 2.54 5.03 -1.21 -1.95 117.51 122.31 1ya3 h ILE 799 Ca 0.08 -1.29 0.02 0.00 -0.12 0.00 0.00 64.86 63.55 1ya3 h ILE 799 Cb 0.08 1.05 -0.05 0.00 -3.03 0.00 0.00 36.82 34.88 1ya3 h ILE 799 CO -0.12 0.45 0.64 0.74 -0.68 0.00 0.00 178.15 179.18 1ya3 h THR 800 N 0.82 1.23 -0.28 -0.27 2.02 -0.95 -0.04 112.91 115.44 1ya3 h THR 800 Ca 0.12 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 66.78 1ya3 h THR 800 Cb 0.70 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1ya3 h THR 800 CO 0.05 0.24 -0.14 -0.07 0.37 0.00 0.00 175.52 175.97 1ya3 h LEU 801 N 1.29 0.61 -0.58 2.58 3.38 -0.83 -1.74 115.31 120.02 1ya3 h LEU 801 Ca 0.36 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1ya3 h LEU 801 Cb -0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1ya3 h LEU 801 CO -0.09 0.88 0.21 0.40 0.09 0.00 0.00 178.44 179.94 1ya3 h ILE 802 N 0.33 1.23 -0.20 1.22 2.04 -0.90 -2.06 117.51 119.17 1ya3 h ILE 802 Ca 0.06 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 1ya3 h ILE 802 Cb 0.65 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1ya3 h ILE 802 CO 0.04 0.29 0.04 1.56 0.00 0.00 0.00 178.15 180.07 1ya3 h GLN 803 N 0.81 0.33 0.00 2.37 4.20 -1.00 0.19 115.11 122.01 1ya3 h GLN 803 Ca 0.19 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 1ya3 h GLN 803 Cb 0.23 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 1ya3 h GLN 803 CO -0.01 0.48 -0.14 1.88 -0.67 0.00 0.00 178.83 180.37 1ya3 h TYR 804 N 0.13 0.00 -0.01 2.96 -1.99 -1.26 -3.24 116.97 113.56 1ya3 h TYR 804 Ca 0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 1ya3 h TYR 804 Cb 0.30 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.03 1ya3 h TYR 804 CO 0.02 0.14 -0.08 -1.13 -0.00 0.00 0.00 178.16 177.11 1ya3 n SER 805 N -4.31 1.57 -0.34 3.88 3.41 -0.78 -4.76 113.62 112.29 1ya3 n SER 805 Ca -0.03 -1.29 0.15 0.00 -0.26 0.00 0.00 58.87 57.45 1ya3 n SER 805 Cb 0.21 0.18 0.29 0.00 -0.26 0.00 0.00 64.21 64.63 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 1.59 -0.04 -0.85 7.33 5.08 -0.66 0.28 115.95 128.67 1ya3 h TRP 806 Ca 0.00 0.07 -0.03 0.00 1.08 0.00 0.00 58.89 60.01 1ya3 h TRP 806 Cb 0.38 0.18 -0.04 0.00 -3.00 0.00 0.00 29.16 26.67 1ya3 h TRP 806 CO 0.00 -0.43 0.43 1.98 -1.28 0.00 0.00 178.44 179.14 1ya3 h MET 807 N 0.01 1.22 0.13 0.12 4.05 -1.85 -2.51 114.93 116.10 1ya3 h MET 807 Ca 0.60 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.85 1ya3 h MET 807 Cb 1.24 -0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 1ya3 h MET 807 CO -0.92 0.92 -0.06 0.00 0.23 0.00 0.00 176.91 177.08 1ya3 h LEU 809 N -0.21 -0.11 -1.04 0.00 3.38 -1.33 0.63 115.31 116.64 1ya3 h LEU 809 Ca -0.02 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1ya3 h LEU 809 Cb 0.16 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1ya3 h LEU 809 CO 0.03 -0.05 -0.26 -0.07 0.09 0.00 0.00 178.44 178.18 1ya3 h LEU 810 N -0.03 0.37 0.27 1.67 3.38 -1.50 -1.36 115.31 118.10 1ya3 h LEU 810 Ca 0.04 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1ya3 h LEU 810 Cb 0.09 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1ya3 h LEU 810 CO -0.08 0.63 -0.13 -1.28 0.09 0.00 0.00 178.44 177.67 1ya3 h SER 811 N 0.33 -0.31 -0.98 -0.43 0.87 -1.27 -1.73 113.55 110.04 1ya3 h SER 811 Ca 0.05 -0.22 0.13 0.00 -1.23 0.00 0.00 61.79 60.52 1ya3 h SER 811 Cb 0.64 0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.59 1ya3 h SER 811 CO 0.05 0.15 0.60 0.15 -0.53 0.00 0.00 176.83 177.24 1ya3 h PHE 812 N -0.86 1.08 -0.17 2.24 3.57 -0.81 0.06 116.94 122.04 1ya3 h PHE 812 Ca -0.04 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 1ya3 h PHE 812 Cb 0.51 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1ya3 h PHE 812 CO 0.05 0.38 -0.41 0.00 -2.23 0.00 0.00 178.31 176.09 1ya3 h ALA 813 N 1.55 0.97 -0.90 2.41 0.00 -1.27 -2.87 119.26 119.15 1ya3 h ALA 813 Ca 0.50 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ya3 h ALA 813 Cb 0.57 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1ya3 h ALA 813 CO -0.29 0.62 0.56 1.25 0.00 0.00 0.00 179.25 181.39 1ya3 h LEU 814 N 0.33 1.07 -0.62 0.00 6.46 -0.03 -1.57 115.31 120.95 1ya3 h LEU 814 Ca 0.03 -0.05 -0.14 0.00 -0.12 0.00 0.00 57.88 57.59 1ya3 h LEU 814 Cb 0.87 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.52 1ya3 h LEU 814 CO 0.07 0.80 -0.48 0.28 -0.62 0.00 0.00 178.44 178.50 1ya3 h SER 815 N 1.23 0.57 0.22 1.25 0.02 -1.35 -2.19 113.55 113.31 1ya3 h SER 815 Ca 0.33 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1ya3 h SER 815 Cb -0.09 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.29 1ya3 h SER 815 CO -0.06 0.96 -0.11 -0.25 -1.14 0.00 0.00 176.83 176.23 1ya3 h TRP 816 N 0.42 -0.27 -0.92 3.45 2.91 -1.26 -0.24 115.95 120.03 1ya3 h TRP 816 Ca 0.02 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.09 1ya3 h TRP 816 Cb 0.99 0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 29.67 1ya3 h TRP 816 CO 0.04 -0.03 0.59 0.00 -1.03 0.00 0.00 178.44 178.00 1ya3 h ARG 817 N -0.48 1.07 -0.56 2.65 3.08 -1.29 -1.33 114.38 117.51 1ya3 h ARG 817 Ca -0.03 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1ya3 h ARG 817 Cb 0.37 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1ya3 h ARG 817 CO 0.05 0.71 0.09 0.77 -1.07 0.00 0.00 179.97 180.52 1ya3 h SER 818 N 1.10 0.89 0.86 7.04 0.02 -1.25 -1.25 113.55 120.96 1ya3 h SER 818 Ca 0.38 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1ya3 h SER 818 Cb 0.10 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1ya3 h SER 818 CO -0.15 0.92 -0.45 0.22 -1.14 0.00 0.00 176.83 176.24 1ya3 h TYR 819 N 0.82 -1.18 0.00 3.45 3.20 -0.50 -1.02 116.97 121.73 1ya3 h TYR 819 Ca 0.17 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.99 1ya3 h TYR 819 Cb 0.41 0.40 -0.00 0.00 1.54 0.00 0.00 36.73 39.08 1ya3 h TYR 819 CO 0.03 -0.70 -0.12 0.87 -1.64 0.00 0.00 178.16 176.60 1ya3 h LYS 820 N -1.20 0.00 0.00 1.82 1.79 -1.29 -2.02 116.57 115.68 1ya3 h LYS 820 Ca -0.12 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.34 1ya3 h LYS 820 Cb 0.93 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.58 1ya3 h LYS 820 CO 0.17 0.12 -1.87 0.72 -1.08 0.00 0.00 179.45 177.50 1ya3 n HIS 821 N -3.27 0.00 -1.39 -1.35 8.25 -0.48 -4.68 115.22 112.31 1ya3 n HIS 821 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 1ya3 n HIS 821 Cb 0.36 -0.45 0.01 0.00 1.12 0.00 0.00 29.99 31.04 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 -2.17 0.27 -1.11 1.59 -2.24 -0.46 -4.98 114.28 105.19 1ya3 n THR 822 Ca -0.05 -0.31 -0.04 0.00 -2.27 0.00 0.00 64.05 61.38 1ya3 n THR 822 Cb 0.51 0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 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 -0.19 -4.92 -0.53 3.42 3.02 -0.76 -1.88 115.26 113.42 1ya3 n ASN 823 Ca 0.02 0.09 -0.05 0.00 -0.03 0.00 0.00 54.58 54.61 1ya3 n ASN 823 Cb 0.59 -2.74 -0.01 0.00 -0.61 0.00 0.00 39.78 37.01 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 -0.56 -2.46 0.05 6.41 7.64 -0.77 -4.91 113.62 119.02 1ya3 n SER 824 Ca -0.04 0.02 0.08 0.00 1.01 0.00 0.00 58.87 59.94 1ya3 n SER 824 Cb 0.37 -1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 61.95 1ya3 n SER 824 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ya3 n GLN 825 N -1.76 0.63 -4.40 1.43 6.02 -0.79 -4.77 117.38 113.74 1ya3 n GLN 825 Ca -0.06 0.07 -0.21 0.00 -0.01 0.00 0.00 57.00 56.79 1ya3 n GLN 825 Cb 0.47 -1.74 -0.09 0.00 1.02 0.00 0.00 30.24 29.90 1ya3 n GLN 825 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1ya3 s PHE 826 N -3.26 1.70 -0.38 1.08 0.08 -1.26 -4.95 117.98 111.00 1ya3 s PHE 826 Ca -0.03 -1.36 -0.06 0.00 0.12 0.00 0.00 56.93 55.60 1ya3 s PHE 826 Cb 0.10 -0.97 0.07 0.00 -0.57 0.00 0.00 43.02 41.66 1ya3 s PHE 826 CO 0.82 -0.46 0.17 -0.51 -0.10 0.00 0.00 175.22 175.14 1ya3 s LEU 827 N -3.46 4.78 -1.23 -0.37 1.43 -0.95 -4.70 118.68 114.19 1ya3 s LEU 827 Ca 0.32 -1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 51.77 1ya3 s LEU 827 Cb 0.04 -1.87 0.17 0.00 0.03 0.00 0.00 46.19 44.56 1ya3 s LEU 827 CO 0.18 -0.45 1.52 0.00 0.23 0.00 0.00 176.35 177.84 1ya3 n TYR 828 N 4.76 4.56 -0.12 0.29 4.19 -1.26 -0.07 117.16 129.51 1ya3 n TYR 828 Ca -0.09 -3.25 -0.11 0.00 3.31 0.00 0.00 57.90 57.77 1ya3 n TYR 828 Cb 0.43 -2.14 -0.02 0.00 0.49 0.00 0.00 39.34 38.10 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 6.84 0.67 -3.41 2.98 -1.00 -1.87 -3.41 116.94 117.74 1ya3 h PHE 829 Ca 0.33 -0.11 -0.05 0.00 2.81 0.00 0.00 57.97 60.95 1ya3 h PHE 829 Cb 0.82 -0.18 -0.13 0.00 3.61 0.00 0.00 35.95 40.08 1ya3 h PHE 829 CO 1.13 0.71 -0.08 0.00 -1.61 0.00 0.00 178.31 178.46 1ya3 s ALA 830 N -5.04 -0.90 0.53 2.45 0.00 -1.22 -4.94 121.76 112.64 1ya3 s ALA 830 Ca -0.13 -0.08 0.26 0.00 0.00 0.00 0.00 51.96 52.01 1ya3 s ALA 830 Cb 0.09 0.70 1.40 0.00 0.00 0.00 0.00 23.12 25.31 1ya3 s ALA 830 CO 0.78 -0.65 1.96 -1.35 0.00 0.00 0.00 175.76 176.50 1ya3 h PRO 831 N 2.37 0.03 -0.55 0.00 0.11 -1.90 -1.34 132.00 130.71 1ya3 h PRO 831 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1ya3 h PRO 831 Cb 1.25 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1ya3 h PRO 831 CO 0.47 0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.88 1ya3 n ASP 832 N -4.36 5.50 -2.74 -2.05 3.85 -1.26 -4.73 116.55 110.76 1ya3 n ASP 832 Ca 0.12 -2.90 -0.05 0.00 -0.71 0.00 0.00 54.79 51.25 1ya3 n ASP 832 Cb 0.69 -0.66 0.02 0.00 -1.35 0.00 0.00 41.12 39.82 1ya3 n ASP 832 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 1ya3 n LEU 833 N 0.55 -3.00 -4.69 -2.12 7.94 -0.51 -4.69 117.00 110.50 1ya3 n LEU 833 Ca 0.27 -2.67 -0.36 0.00 -1.11 0.00 0.00 56.01 52.14 1ya3 n LEU 833 Cb 1.15 0.74 -0.09 0.00 0.53 0.00 0.00 43.42 45.75 1ya3 n LEU 833 CO 0.30 1.83 -0.11 -0.69 -1.11 0.00 0.00 177.39 177.61 1ya3 s VAL 834 N 0.82 5.34 -0.08 1.96 1.01 -1.26 -3.21 120.40 124.98 1ya3 s VAL 834 Ca 0.29 0.32 -0.28 0.00 0.00 0.00 0.00 61.98 62.31 1ya3 s VAL 834 Cb 0.07 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1ya3 s VAL 834 CO -0.10 0.35 0.93 -0.36 0.00 0.00 0.00 175.10 175.93 1ya3 s PHE 835 N 0.88 3.55 0.43 5.22 0.40 0.90 -4.90 117.98 124.46 1ya3 s PHE 835 Ca 0.11 1.53 0.03 0.00 -0.60 0.00 0.00 56.93 57.99 1ya3 s PHE 835 Cb -0.13 -3.09 0.08 0.00 0.51 0.00 0.00 43.02 40.39 1ya3 s PHE 835 CO 0.04 -0.13 0.59 -1.71 0.70 0.00 0.00 175.22 174.71 1ya3 n ASN 836 N 4.57 1.13 -0.11 1.36 4.05 -1.26 -2.23 115.26 122.77 1ya3 n ASN 836 Ca 0.06 -1.87 -0.12 0.00 0.45 0.00 0.00 54.58 53.10 1ya3 n ASN 836 Cb 0.50 -0.35 -0.03 0.00 1.23 0.00 0.00 39.78 41.12 1ya3 n ASN 836 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 177.26 174.13 1ya3 h GLU 837 N 0.00 0.64 0.72 1.20 4.57 -1.97 -1.13 114.58 118.60 1ya3 h GLU 837 Ca -0.20 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 57.69 1ya3 h GLU 837 Cb 0.81 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1ya3 h GLU 837 CO 0.24 0.83 -0.42 0.93 -1.18 0.00 0.00 179.01 179.41 1ya3 h GLU 838 N 0.41 -1.03 -0.49 1.92 3.07 -1.99 -2.18 114.58 114.29 1ya3 h GLU 838 Ca 0.08 0.07 0.10 0.00 -0.50 0.00 0.00 59.36 59.11 1ya3 h GLU 838 Cb 0.61 0.23 -0.09 0.00 -0.84 0.00 0.00 28.75 28.66 1ya3 h GLU 838 CO 0.04 -0.68 -0.10 1.57 -1.40 0.00 0.00 179.01 178.44 1ya3 h LYS 839 N -1.06 0.02 -0.80 2.33 2.10 -1.93 0.31 116.57 117.54 1ya3 h LYS 839 Ca -0.09 -0.00 0.16 0.00 -2.00 0.00 0.00 60.65 58.72 1ya3 h LYS 839 Cb 0.85 -0.01 -0.10 0.00 -0.90 0.00 0.00 32.23 32.07 1ya3 h LYS 839 CO 0.11 0.02 0.33 0.52 -2.00 0.00 0.00 179.45 178.42 1ya3 h MET 840 N 0.02 0.43 -0.31 0.07 2.07 -1.03 0.27 114.93 116.46 1ya3 h MET 840 Ca 0.24 -0.03 -0.09 0.00 -2.07 0.00 0.00 59.70 57.76 1ya3 h MET 840 Cb 0.37 -0.10 -0.02 0.00 -1.87 0.00 0.00 31.60 29.99 1ya3 h MET 840 CO -0.49 0.29 -0.17 0.45 1.07 0.00 0.00 176.91 178.06 1ya3 h HIS 841 N 0.45 0.61 0.00 -0.22 3.86 -0.35 -2.55 115.15 116.95 1ya3 h HIS 841 Ca 0.46 -0.11 -0.07 0.00 -1.16 0.00 0.00 60.37 59.48 1ya3 h HIS 841 Cb 0.74 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1ya3 h HIS 841 CO -0.16 0.69 -0.35 1.96 0.86 0.00 0.00 177.93 180.93 1ya3 h GLN 842 N 0.50 0.00 0.00 2.45 4.20 0.90 -2.42 115.11 120.74 1ya3 h GLN 842 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1ya3 h GLN 842 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1ya3 h GLN 842 CO 0.04 0.35 0.00 0.66 -0.67 0.00 0.00 178.83 179.21 1ya3 h SER 843 N 0.00 0.00 -1.86 1.46 4.64 -0.59 -3.20 113.55 114.00 1ya3 h SER 843 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1ya3 h SER 843 Cb 0.67 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.66 1ya3 h SER 843 CO 0.05 0.00 -0.39 0.00 -0.87 0.00 0.00 176.83 175.62 1ya3 n ALA 844 N -1.87 -0.42 -1.14 5.18 0.00 -0.91 -4.79 120.51 116.56 1ya3 n ALA 844 Ca 0.01 0.25 0.09 0.00 0.00 0.00 0.00 53.44 53.79 1ya3 n ALA 844 Cb 0.20 -1.91 0.14 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 -2.48 1.29 0.08 0.00 0.00 -1.25 -4.98 117.12 109.77 1ya3 n MET 845 Ca -0.20 -2.63 0.18 0.00 0.00 0.00 0.00 57.70 55.06 1ya3 n MET 845 Cb 0.63 -1.50 0.53 0.00 0.00 0.00 0.00 33.22 32.88 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 0.10 0.00 0.00 1.12 5.03 -1.87 -1.94 116.97 119.41 1ya3 h TYR 846 Ca -0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1ya3 h TYR 846 Cb 1.01 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.29 1ya3 h TYR 846 CO 0.08 0.00 -1.51 -1.91 -1.32 0.00 0.00 178.16 173.49 1ya3 n GLU 847 N -3.19 0.68 0.08 1.82 2.13 -1.26 -3.64 120.64 117.27 1ya3 n GLU 847 Ca 0.10 -0.11 -0.09 0.00 0.66 0.00 0.00 57.16 57.71 1ya3 n GLU 847 Cb 0.94 -1.31 -0.07 0.00 0.27 0.00 0.00 31.44 31.27 1ya3 n GLU 847 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1ya3 h LEU 848 N 0.00 0.18 -0.09 4.31 3.38 -1.79 -0.20 115.31 121.10 1ya3 h LEU 848 Ca 0.00 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1ya3 h LEU 848 Cb 0.60 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ya3 h LEU 848 CO 0.00 1.06 -0.08 0.00 0.09 0.00 0.00 178.44 179.52 1ya3 h GLN 850 N -0.20 1.21 -0.51 0.00 1.08 -1.62 0.35 115.11 115.42 1ya3 h GLN 850 Ca 0.02 -0.07 0.07 0.00 -1.45 0.00 0.00 58.65 57.21 1ya3 h GLN 850 Cb 0.58 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 1ya3 h GLN 850 CO 0.02 0.80 0.34 0.78 -0.95 0.00 0.00 178.83 179.83 1ya3 h GLY 851 N 1.25 0.51 0.89 3.46 0.00 -0.88 0.56 103.07 108.86 1ya3 h GLY 851 Ca 0.37 -0.16 -0.30 0.00 0.00 0.00 0.00 47.33 47.23 1ya3 h GLY 851 CO -0.10 0.12 -1.77 1.03 0.00 0.00 0.00 176.54 175.81 1ya3 n MET 852 N -4.47 0.65 -0.25 4.80 2.81 -0.75 -3.62 117.12 116.29 1ya3 n MET 852 Ca 0.07 0.28 -0.06 0.00 -1.81 0.00 0.00 57.70 56.18 1ya3 n MET 852 Cb 0.29 -1.77 0.05 0.00 -0.71 0.00 0.00 33.22 31.08 1ya3 n MET 852 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1ya3 h HIS 853 N 0.01 0.98 -0.38 2.03 6.17 0.73 -2.45 115.15 122.24 1ya3 h HIS 853 Ca -0.31 -0.04 0.05 0.00 0.71 0.00 0.00 60.37 60.78 1ya3 h HIS 853 Cb 2.03 -0.31 -0.05 0.00 2.52 0.00 0.00 27.41 31.60 1ya3 h HIS 853 CO 0.01 0.71 0.10 0.37 0.71 0.00 0.00 177.93 179.83 1ya3 h GLN 854 N 0.96 0.23 -0.50 5.26 5.75 -0.03 -1.18 115.11 125.61 1ya3 h GLN 854 Ca 0.24 -0.01 0.06 0.00 -0.15 0.00 0.00 58.65 58.79 1ya3 h GLN 854 Cb 0.08 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 1ya3 h GLN 854 CO -0.03 0.15 0.33 0.82 -2.65 0.00 0.00 178.83 177.45 1ya3 h ILE 855 N 0.24 0.98 0.00 2.39 1.08 -1.53 0.12 117.51 120.79 1ya3 h ILE 855 Ca 0.18 -0.15 -0.10 0.00 -0.39 0.00 0.00 64.86 64.40 1ya3 h ILE 855 Cb 0.19 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.42 1ya3 h ILE 855 CO -0.21 0.08 -0.46 0.77 -0.69 0.00 0.00 178.15 177.64 1ya3 h SER 856 N 0.45 0.00 -0.15 1.72 4.64 -0.82 -2.68 113.55 116.70 1ya3 h SER 856 Ca 0.22 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.36 1ya3 h SER 856 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1ya3 h SER 856 CO -0.06 0.46 -0.55 -0.07 -0.87 0.00 0.00 176.83 175.75 1ya3 h LEU 857 N 0.00 0.83 -1.76 5.97 4.07 0.31 -2.11 115.31 122.61 1ya3 h LEU 857 Ca -0.00 -0.44 -0.03 0.00 0.08 0.00 0.00 57.88 57.48 1ya3 h LEU 857 Cb 1.14 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 42.63 1ya3 h LEU 857 CO 0.06 1.21 -0.16 1.56 -1.08 0.00 0.00 178.44 180.02 1ya3 h GLN 858 N 0.57 0.00 -0.01 1.13 4.20 -1.02 -0.45 115.11 119.53 1ya3 h GLN 858 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1ya3 h GLN 858 Cb 1.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.91 1ya3 h GLN 858 CO 0.11 0.16 -0.00 0.74 -0.67 0.00 0.00 178.83 179.18 1ya3 h PHE 859 N 0.00 0.01 -0.11 2.96 -1.00 -1.06 0.18 116.94 117.93 1ya3 h PHE 859 Ca -0.00 -0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 1ya3 h PHE 859 Cb 0.35 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 1ya3 h PHE 859 CO 0.00 0.42 -0.24 -0.24 -1.61 0.00 0.00 178.31 176.65 1ya3 h VAL 860 N -0.40 1.22 0.03 -0.55 3.04 -1.00 0.75 116.25 119.34 1ya3 h VAL 860 Ca 0.00 -1.02 -0.26 0.00 -1.01 0.00 0.00 66.70 64.42 1ya3 h VAL 860 Cb 0.42 1.40 0.02 0.00 -2.01 0.00 0.00 31.29 31.12 1ya3 h VAL 860 CO 0.00 0.31 -1.02 0.03 -1.01 0.00 0.00 177.57 175.88 1ya3 h ARG 861 N 0.17 0.64 0.00 4.17 3.08 -1.05 -3.23 114.38 118.16 1ya3 h ARG 861 Ca 0.03 -0.73 0.00 0.00 0.07 0.00 0.00 59.98 59.35 1ya3 h ARG 861 Cb 0.52 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1ya3 h ARG 861 CO 0.04 1.31 -0.04 1.25 -1.07 0.00 0.00 179.97 181.45 1ya3 h LEU 862 N 0.28 0.00 -2.04 3.04 5.85 -0.31 -3.48 115.31 118.66 1ya3 h LEU 862 Ca -0.13 -0.01 -0.30 0.00 0.84 0.00 0.00 57.88 58.27 1ya3 h LEU 862 Cb 1.69 0.00 0.17 0.00 0.37 0.00 0.00 40.66 42.89 1ya3 h LEU 862 CO 0.20 0.01 -0.82 1.67 -0.34 0.00 0.00 178.44 179.16 1ya3 n GLN 863 N -2.36 -4.54 -1.68 1.25 -0.06 0.26 -4.92 117.38 105.33 1ya3 n GLN 863 Ca 0.05 0.84 -0.38 0.00 -2.00 0.00 0.00 57.00 55.50 1ya3 n GLN 863 Cb 0.44 -5.78 0.05 0.00 -4.06 0.00 0.00 30.24 20.89 1ya3 n GLN 863 CO 0.00 0.00 0.00 -0.11 -0.20 0.00 0.00 177.06 176.75 1ya3 n LEU 864 N -3.76 4.60 -4.63 1.69 7.94 -0.92 -5.01 117.00 116.91 1ya3 n LEU 864 Ca -0.19 0.91 -0.25 0.00 -1.11 0.00 0.00 56.01 55.37 1ya3 n LEU 864 Cb 0.65 -1.48 -0.08 0.00 0.53 0.00 0.00 43.42 43.04 1ya3 n LEU 864 CO 0.61 -1.18 -0.35 0.42 -1.11 0.00 0.00 177.39 175.78 1ya3 s THR 865 N -1.38 3.46 0.53 1.96 -4.23 -1.26 -5.01 115.64 109.72 1ya3 s THR 865 Ca 0.73 -1.73 0.21 0.00 -1.18 0.00 0.00 61.69 59.72 1ya3 s THR 865 Cb -0.43 -2.79 0.29 0.00 1.34 0.00 0.00 72.50 70.91 1ya3 s THR 865 CO 0.48 -0.25 2.16 0.15 -0.54 0.00 0.00 174.62 176.62 1ya3 h PHE 866 N 2.32 0.00 -0.37 3.99 3.57 -1.99 -1.32 116.94 123.14 1ya3 h PHE 866 Ca -0.46 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.98 1ya3 h PHE 866 Cb 1.23 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.96 1ya3 h PHE 866 CO 0.66 0.03 -0.02 1.05 -2.23 0.00 0.00 178.31 177.80 1ya3 h GLU 867 N 0.00 0.66 -0.16 1.11 4.11 -1.97 -2.34 114.58 115.98 1ya3 h GLU 867 Ca -0.00 -0.22 -0.12 0.00 0.07 0.00 0.00 59.36 59.09 1ya3 h GLU 867 Cb 0.07 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1ya3 h GLU 867 CO 0.00 0.78 -0.37 0.93 0.07 0.00 0.00 179.01 180.43 1ya3 h GLU 868 N 0.47 0.54 -0.51 1.06 5.08 -1.79 -3.08 114.58 116.35 1ya3 h GLU 868 Ca 0.10 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1ya3 h GLU 868 Cb 0.50 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1ya3 h GLU 868 CO 0.02 0.97 0.34 -0.92 -1.00 0.00 0.00 179.01 178.42 1ya3 h TYR 869 N 0.18 0.65 0.11 4.33 3.20 -1.27 -0.66 116.97 123.51 1ya3 h TYR 869 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 1ya3 h TYR 869 Cb 0.97 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1ya3 h TYR 869 CO 0.10 0.41 -0.05 1.79 -1.64 0.00 0.00 178.16 178.77 1ya3 h THR 870 N 0.70 1.10 -0.96 1.81 1.35 -1.42 -1.91 112.91 113.57 1ya3 h THR 870 Ca 0.19 -0.94 0.02 0.00 -0.55 0.00 0.00 66.41 65.13 1ya3 h THR 870 Cb -0.07 1.68 -0.05 0.00 -1.73 0.00 0.00 68.15 67.97 1ya3 h THR 870 CO -0.04 0.22 0.64 0.40 -0.25 0.00 0.00 175.52 176.49 1ya3 h ILE 871 N -0.59 1.21 -0.25 6.82 2.04 -1.44 -2.32 117.51 122.98 1ya3 h ILE 871 Ca -0.01 -0.44 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 1ya3 h ILE 871 Cb 0.47 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 1ya3 h ILE 871 CO 0.02 0.23 0.09 0.24 0.00 0.00 0.00 178.15 178.73 1ya3 h MET 872 N 1.27 0.35 -0.08 2.37 2.86 -1.06 -2.27 114.93 118.37 1ya3 h MET 872 Ca 0.37 -0.04 -0.18 0.00 -2.06 0.00 0.00 59.70 57.79 1ya3 h MET 872 Cb -0.09 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1ya3 h MET 872 CO -0.10 0.31 -0.71 0.87 1.06 0.00 0.00 176.91 178.34 1ya3 h LYS 873 N 0.35 0.38 -0.62 1.72 1.57 -0.79 -2.56 116.57 116.62 1ya3 h LYS 873 Ca 0.09 -0.30 -0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1ya3 h LYS 873 Cb 0.10 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1ya3 h LYS 873 CO -0.01 0.94 0.08 0.28 -0.57 0.00 0.00 179.45 180.17 1ya3 h VAL 874 N 0.26 1.26 0.00 0.50 2.07 -1.18 -2.21 116.25 116.95 1ya3 h VAL 874 Ca -0.03 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.39 1ya3 h VAL 874 Cb 1.27 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1ya3 h VAL 874 CO 0.12 0.38 -0.30 -0.07 0.02 0.00 0.00 177.57 177.72 1ya3 h LEU 875 N 0.97 0.00 -0.45 2.57 3.38 -1.27 -1.95 115.31 118.56 1ya3 h LEU 875 Ca 0.19 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 1ya3 h LEU 875 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1ya3 h LEU 875 CO 0.02 0.30 -0.42 -0.07 0.09 0.00 0.00 178.44 178.36 1ya3 h LEU 876 N 0.00 0.89 -1.72 1.67 3.38 -1.01 -1.62 115.31 116.91 1ya3 h LEU 876 Ca -0.00 -0.42 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 1ya3 h LEU 876 Cb 0.61 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1ya3 h LEU 876 CO 0.04 1.19 -0.02 0.25 0.09 0.00 0.00 178.44 179.98 1ya3 h LEU 877 N 0.67 0.13 -3.61 1.67 5.85 -0.81 -1.47 115.31 117.74 1ya3 h LEU 877 Ca 0.05 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1ya3 h LEU 877 Cb 0.99 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 1ya3 h LEU 877 CO 0.10 0.18 0.08 0.18 -0.34 0.00 0.00 178.44 178.64 1ya3 n LEU 878 N -4.42 5.81 -0.03 2.25 4.77 -0.80 -4.57 117.00 120.01 1ya3 n LEU 878 Ca -0.01 -3.03 -0.13 0.00 -0.03 0.00 0.00 56.01 52.80 1ya3 n LEU 878 Cb 0.16 -0.70 -0.14 0.00 -2.33 0.00 0.00 43.42 40.41 1ya3 n LEU 878 CO 0.36 0.69 -0.74 -1.20 -1.33 0.00 0.00 177.39 175.17 1ya3 n SER 879 N 0.35 1.25 -4.35 -1.43 7.64 -0.55 -4.90 113.62 111.63 1ya3 n SER 879 Ca 0.32 0.27 -0.34 0.00 1.01 0.00 0.00 58.87 60.13 1ya3 n SER 879 Cb 1.25 -0.23 -0.14 0.00 -1.01 0.00 0.00 64.21 64.08 1ya3 n SER 879 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1ya3 s THR 880 N -2.57 3.27 0.27 0.44 2.01 -1.26 0.65 115.64 118.46 1ya3 s THR 880 Ca -0.13 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1ya3 s THR 880 Cb 0.07 -2.43 -0.06 0.00 0.01 0.00 0.00 72.50 70.09 1ya3 s THR 880 CO 0.79 0.48 0.06 0.27 -0.69 0.00 0.00 174.62 175.52 1ya3 s ILE 881 N 0.89 0.91 0.21 1.82 -4.36 -1.01 -4.77 121.20 114.90 1ya3 s ILE 881 Ca -0.02 -2.01 -0.30 0.00 -0.26 0.00 0.00 60.65 58.06 1ya3 s ILE 881 Cb -0.15 -2.61 -0.10 0.00 1.25 0.00 0.00 42.46 40.86 1ya3 s ILE 881 CO 0.01 -0.09 1.44 -2.84 0.24 0.00 0.00 174.94 173.69 1ya3 s PRO 882 N -3.94 4.28 0.45 0.37 0.02 -1.26 -2.64 135.00 132.28 1ya3 s PRO 882 Ca 0.35 2.25 0.33 0.00 0.02 0.00 0.00 61.00 63.95 1ya3 s PRO 882 Cb 0.08 -3.14 1.49 0.00 0.02 0.00 0.00 34.50 32.94 1ya3 s PRO 882 CO 0.13 -0.43 1.59 -0.22 -0.33 0.00 0.00 177.00 177.74 1ya3 h LYS 883 N 5.57 0.03 -0.39 5.54 3.64 -1.15 0.57 116.57 130.39 1ya3 h LYS 883 Ca -0.45 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1ya3 h LYS 883 Cb 1.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 1ya3 h LYS 883 CO 0.81 0.02 0.00 -0.25 -2.27 0.00 0.00 179.45 177.76 1ya3 n ASP 884 N -4.68 3.29 0.00 4.20 9.92 -1.26 -5.03 116.55 122.99 1ya3 n ASP 884 Ca 0.40 -1.97 0.00 0.00 -0.53 0.00 0.00 54.79 52.69 1ya3 n ASP 884 Cb 1.55 -0.25 0.00 0.00 -0.64 0.00 0.00 41.12 41.78 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 1.48 1.49 3.99 0.44 0.00 0.20 -5.06 105.19 107.73 1ya3 n GLY 885 Ca 0.19 -2.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.02 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 0.00 3.89 0.39 0.99 1.43 -1.26 -4.61 118.68 119.51 1ya3 s LEU 886 Ca 0.00 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1ya3 s LEU 886 Cb 0.00 -2.79 0.84 0.00 0.03 0.00 0.00 46.19 44.27 1ya3 s LEU 886 CO 0.00 -0.51 1.98 0.11 0.23 0.00 0.00 176.35 178.16 1ya3 h LYS 887 N 0.80 0.61 -1.23 1.70 1.57 -1.99 -2.96 116.57 115.08 1ya3 h LYS 887 Ca -0.45 -0.04 -0.60 0.00 -1.87 0.00 0.00 60.65 57.69 1ya3 h LYS 887 Cb 1.26 -0.14 -0.40 0.00 0.08 0.00 0.00 32.23 33.03 1ya3 h LYS 887 CO 0.52 0.41 -0.48 -1.13 -0.57 0.00 0.00 179.45 178.20 1ya3 n SER 888 N -4.48 5.28 -0.24 0.86 3.41 -1.26 -4.89 113.62 112.30 1ya3 n SER 888 Ca 0.09 -3.75 -0.11 0.00 -0.26 0.00 0.00 58.87 54.85 1ya3 n SER 888 Cb 0.24 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.60 1ya3 n SER 888 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1ya3 h GLN 889 N 2.42 -0.18 -0.49 4.33 5.75 -1.91 2.52 115.11 127.55 1ya3 h GLN 889 Ca 0.38 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.94 1ya3 h GLN 889 Cb 1.07 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.61 1ya3 h GLN 889 CO 0.93 -0.12 0.22 0.00 -2.65 0.00 0.00 178.83 177.21 1ya3 h ALA 890 N 0.04 0.61 -0.19 3.38 0.00 -1.90 0.29 119.26 121.50 1ya3 h ALA 890 Ca 0.10 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ya3 h ALA 890 Cb 0.45 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1ya3 h ALA 890 CO -0.67 -0.15 -0.02 0.00 0.00 0.00 0.00 179.25 178.41 1ya3 h ALA 891 N 1.29 0.14 -0.61 0.00 0.00 -1.59 -2.39 119.26 116.10 1ya3 h ALA 891 Ca 0.22 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.27 1ya3 h ALA 891 Cb 0.18 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1ya3 h ALA 891 CO -0.19 -0.46 0.28 0.35 0.00 0.00 0.00 179.25 179.24 1ya3 h PHE 892 N 0.03 0.50 -0.12 0.00 3.57 0.55 -2.78 116.94 118.70 1ya3 h PHE 892 Ca 0.09 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.50 1ya3 h PHE 892 Cb 0.12 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1ya3 h PHE 892 CO -0.19 0.19 -0.45 0.93 -2.23 0.00 0.00 178.31 176.56 1ya3 h GLU 893 N 0.51 0.28 -0.27 1.11 5.08 -0.19 -2.43 114.58 118.66 1ya3 h GLU 893 Ca 0.29 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1ya3 h GLU 893 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1ya3 h GLU 893 CO -0.24 0.68 -0.25 1.49 -1.00 0.00 0.00 179.01 179.68 1ya3 h GLU 894 N 0.23 0.53 0.01 2.33 4.57 -1.17 -1.74 114.58 119.34 1ya3 h GLU 894 Ca 0.02 -0.20 -0.21 0.00 -1.18 0.00 0.00 59.36 57.78 1ya3 h GLU 894 Cb 0.88 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1ya3 h GLU 894 CO 0.07 0.74 -0.92 1.98 -1.18 0.00 0.00 179.01 179.70 1ya3 h MET 895 N 0.46 0.30 -0.20 1.92 4.05 -1.40 -2.54 114.93 117.52 1ya3 h MET 895 Ca 0.07 -0.33 -0.07 0.00 -0.28 0.00 0.00 59.70 59.08 1ya3 h MET 895 Cb 0.69 0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.58 1ya3 h MET 895 CO 0.05 1.04 -0.15 -0.09 0.23 0.00 0.00 176.91 177.99 1ya3 h ARG 896 N 0.17 0.46 0.11 0.39 2.43 -1.29 -2.23 114.38 114.41 1ya3 h ARG 896 Ca -0.06 -0.22 0.02 0.00 -0.81 0.00 0.00 59.98 58.90 1ya3 h ARG 896 Cb 1.56 -0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 31.06 1ya3 h ARG 896 CO 0.15 0.78 -0.44 1.15 -1.51 0.00 0.00 179.97 180.09 1ya3 h THR 897 N 0.14 0.12 -0.94 0.20 2.02 -1.35 -1.22 112.91 111.88 1ya3 h THR 897 Ca 0.04 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.41 1ya3 h THR 897 Cb 0.67 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.12 1ya3 h THR 897 CO 0.04 0.00 0.60 0.78 0.37 0.00 0.00 175.52 177.31 1ya3 h ASN 898 N -0.67 0.59 0.90 4.18 -0.26 -1.43 0.20 115.58 119.08 1ya3 h ASN 898 Ca 0.02 0.06 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 1ya3 h ASN 898 Cb 0.70 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 1ya3 h ASN 898 CO -0.26 0.24 -0.32 1.88 -1.06 0.00 0.00 177.43 177.91 1ya3 h TYR 899 N 0.59 0.00 0.00 1.19 0.05 -0.66 -1.03 116.97 117.11 1ya3 h TYR 899 Ca 0.51 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 59.03 1ya3 h TYR 899 Cb 1.00 0.00 0.02 0.00 1.01 0.00 0.00 36.73 38.76 1ya3 h TYR 899 CO -0.00 0.32 -1.02 0.82 -1.05 0.00 0.00 178.16 177.23 1ya3 h ILE 900 N 0.00 1.31 -0.50 -2.88 2.04 0.44 -2.62 117.51 115.30 1ya3 h ILE 900 Ca -0.00 -2.31 -0.05 0.00 1.00 0.00 0.00 64.86 63.50 1ya3 h ILE 900 Cb 0.86 2.39 -0.02 0.00 -0.74 0.00 0.00 36.82 39.31 1ya3 h ILE 900 CO 0.04 0.71 0.12 0.11 0.00 0.00 0.00 178.15 179.13 1ya3 h LYS 901 N 0.35 0.75 0.27 2.37 1.57 -0.78 0.27 116.57 121.37 1ya3 h LYS 901 Ca -0.12 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1ya3 h LYS 901 Cb 1.67 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.86 1ya3 h LYS 901 CO 0.19 0.68 -0.13 1.49 -0.57 0.00 0.00 179.45 181.12 1ya3 h GLU 902 N 0.73 -0.34 -0.70 3.15 4.57 -1.14 0.28 114.58 121.12 1ya3 h GLU 902 Ca 0.16 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1ya3 h GLU 902 Cb 0.28 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.91 1ya3 h GLU 902 CO -0.00 -0.18 0.43 1.25 -1.18 0.00 0.00 179.01 179.33 1ya3 h LEU 903 N -0.43 0.83 0.21 1.64 5.85 -1.20 0.75 115.31 122.95 1ya3 h LEU 903 Ca -0.04 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 1ya3 h LEU 903 Cb 0.32 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1ya3 h LEU 903 CO 0.06 0.63 -0.10 -0.09 -0.34 0.00 0.00 178.44 178.59 1ya3 h ARG 904 N 0.96 -0.27 0.01 1.25 9.65 -0.52 -2.30 114.38 123.16 1ya3 h ARG 904 Ca 0.25 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.18 1ya3 h ARG 904 Cb -0.06 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.55 1ya3 h ARG 904 CO -0.05 -0.15 -0.17 0.87 2.80 0.00 0.00 179.97 183.27 1ya3 h LYS 905 N -0.33 -0.28 0.09 0.20 1.57 0.30 -2.78 116.57 115.34 1ya3 h LYS 905 Ca -0.03 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ya3 h LYS 905 Cb 0.25 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1ya3 h LYS 905 CO 0.05 -0.19 -0.17 0.52 -0.57 0.00 0.00 179.45 179.09 1ya3 h MET 906 N -0.29 -0.27 -1.21 3.15 2.86 -0.82 -2.74 114.93 115.60 1ya3 h MET 906 Ca 0.05 0.02 0.35 0.00 -2.06 0.00 0.00 59.70 58.06 1ya3 h MET 906 Cb 0.35 0.06 -0.09 0.00 0.06 0.00 0.00 31.60 31.99 1ya3 h MET 906 CO -0.16 -0.18 0.81 0.28 1.06 0.00 0.00 176.91 178.72 1ya3 h VAL 907 N -0.28 0.35 -3.44 -2.22 2.07 -1.46 -3.52 116.25 107.75 1ya3 h VAL 907 Ca -0.01 -0.06 -0.60 0.00 0.82 0.00 0.00 66.70 66.84 1ya3 h VAL 907 Cb 0.27 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 30.06 1ya3 h VAL 907 CO -0.07 0.03 -0.34 -0.89 0.02 0.00 0.00 177.57 176.33 1ya3 s THR 908 N -5.27 5.29 0.00 2.57 2.01 -1.04 -4.89 115.64 114.31 1ya3 s THR 908 Ca -0.07 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.41 1ya3 s THR 908 Cb 0.26 -3.62 0.00 0.00 0.01 0.00 0.00 72.50 69.15 1ya3 s THR 908 CO 0.81 0.33 0.00 -1.54 -0.69 0.00 0.00 174.62 173.53 1ya3 n SER 917 N 4.12 0.00 0.08 3.53 3.41 -1.26 -5.08 113.62 118.42 1ya3 n SER 917 Ca -0.12 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.58 1ya3 n SER 917 Cb 0.52 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.86 1ya3 n SER 917 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1ya3 n TRP 918 N 0.00 0.47 0.09 7.33 4.27 -1.26 -0.82 117.44 127.52 1ya3 n TRP 918 Ca 0.00 0.20 0.05 0.00 -3.89 0.00 0.00 57.50 53.86 1ya3 n TRP 918 Cb 0.00 -0.82 -0.02 0.00 -1.36 0.00 0.00 31.31 29.12 1ya3 n TRP 918 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 1ya3 h GLN 919 N 0.00 0.00 -0.21 -2.67 -0.00 -1.99 -3.04 115.11 107.20 1ya3 h GLN 919 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 58.65 58.44 1ya3 h GLN 919 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 27.48 27.73 1ya3 h GLN 919 CO 0.00 0.21 -0.68 -0.09 0.00 0.00 0.00 178.83 178.27 1ya3 h ARG 920 N 0.00 0.83 -0.03 1.69 1.12 -1.37 -2.42 114.38 114.20 1ya3 h ARG 920 Ca -0.07 -0.61 0.01 0.00 -1.11 0.00 0.00 59.98 58.20 1ya3 h ARG 920 Cb 1.32 0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 31.38 1ya3 h ARG 920 CO 0.03 1.23 -0.02 0.35 -3.11 0.00 0.00 179.97 178.45 1ya3 h PHE 921 N 0.60 -0.05 -0.66 2.20 3.57 -1.46 -1.50 116.94 119.64 1ya3 h PHE 921 Ca -0.02 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.54 1ya3 h PHE 921 Cb 1.30 0.03 -0.06 0.00 2.79 0.00 0.00 35.95 40.01 1ya3 h PHE 921 CO 0.08 -0.03 0.36 -0.92 -2.23 0.00 0.00 178.31 175.57 1ya3 h TYR 922 N -0.02 0.66 0.09 0.41 3.20 -1.48 -0.99 116.97 118.83 1ya3 h TYR 922 Ca 0.02 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1ya3 h TYR 922 Cb 0.05 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 1ya3 h TYR 922 CO -0.11 0.31 -0.12 1.96 -1.64 0.00 0.00 178.16 178.56 1ya3 h GLN 923 N 0.67 -0.24 -0.75 1.82 4.20 -1.10 0.14 115.11 119.85 1ya3 h GLN 923 Ca 0.30 0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1ya3 h GLN 923 Cb 0.20 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.00 1ya3 h GLN 923 CO -0.19 -0.16 0.41 -0.07 -0.67 0.00 0.00 178.83 178.15 1ya3 h LEU 924 N -0.25 0.94 -0.99 1.46 4.07 -0.83 -0.83 115.31 118.88 1ya3 h LEU 924 Ca 0.02 -0.10 -0.07 0.00 0.08 0.00 0.00 57.88 57.82 1ya3 h LEU 924 Cb 0.26 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.76 1ya3 h LEU 924 CO -0.06 0.76 -0.32 0.71 -1.08 0.00 0.00 178.44 178.45 1ya3 h THR 925 N 1.04 0.76 -0.26 0.22 1.35 -1.02 -1.55 112.91 113.44 1ya3 h THR 925 Ca 0.26 -1.37 -0.19 0.00 -0.55 0.00 0.00 66.41 64.56 1ya3 h THR 925 Cb 0.03 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1ya3 h THR 925 CO -0.04 0.31 -0.59 0.50 -0.25 0.00 0.00 175.52 175.45 1ya3 h LYS 926 N 0.00 0.86 -0.52 4.72 3.64 -0.42 -1.19 116.57 123.66 1ya3 h LYS 926 Ca -0.00 -0.57 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 1ya3 h LYS 926 Cb 0.85 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1ya3 h LYS 926 CO 0.04 1.20 0.24 1.25 -2.27 0.00 0.00 179.45 179.91 1ya3 h LEU 927 N 0.64 0.68 -1.03 5.20 6.46 -0.78 0.12 115.31 126.60 1ya3 h LEU 927 Ca 0.00 -0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.64 1ya3 h LEU 927 Cb 1.20 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.91 1ya3 h LEU 927 CO 0.13 0.63 0.65 -0.07 -0.62 0.00 0.00 178.44 179.16 1ya3 h LEU 928 N 0.69 1.13 -0.46 2.25 3.38 -1.21 -0.31 115.31 120.80 1ya3 h LEU 928 Ca 0.18 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1ya3 h LEU 928 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1ya3 h LEU 928 CO -0.02 0.82 0.25 0.44 0.09 0.00 0.00 178.44 180.02 1ya3 h ASP 929 N 1.34 0.57 0.60 -0.43 3.32 0.14 -1.68 116.42 120.29 1ya3 h ASP 929 Ca 0.36 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1ya3 h ASP 929 Cb -0.15 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.25 1ya3 h ASP 929 CO -0.08 0.51 0.00 -1.54 -1.72 0.00 0.00 179.24 176.41 1ya3 n SER 930 N -4.68 0.07 0.15 6.45 3.41 0.25 -2.14 113.62 117.13 1ya3 n SER 930 Ca 0.01 0.52 0.02 0.00 -0.26 0.00 0.00 58.87 59.16 1ya3 n SER 930 Cb 0.09 -0.53 0.36 0.00 -0.26 0.00 0.00 64.21 63.86 1ya3 n SER 930 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1ya3 h MET 931 N 0.00 0.14 -0.50 4.33 2.86 -0.08 -2.63 114.93 119.05 1ya3 h MET 931 Ca 0.00 -0.04 -0.10 0.00 -2.06 0.00 0.00 59.70 57.49 1ya3 h MET 931 Cb 0.30 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1ya3 h MET 931 CO 0.00 0.41 -0.10 0.45 1.06 0.00 0.00 176.91 178.73 1ya3 h HIS 932 N 0.12 1.01 -0.57 -0.22 3.86 -1.47 -2.27 115.15 115.61 1ya3 h HIS 932 Ca 0.02 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.03 1ya3 h HIS 932 Cb 0.56 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 1ya3 h HIS 932 CO 0.01 0.96 0.34 -0.44 0.86 0.00 0.00 177.93 179.65 1ya3 h ASP 933 N 0.82 0.70 0.59 2.45 3.45 -1.61 -0.99 116.42 121.83 1ya3 h ASP 933 Ca 0.13 -0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.50 1ya3 h ASP 933 Cb 0.62 -0.18 0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1ya3 h ASP 933 CO 0.04 0.56 -0.28 0.25 -1.57 0.00 0.00 179.24 178.24 1ya3 h LEU 934 N 0.77 -0.67 -1.32 1.55 5.85 -1.45 -2.89 115.31 117.15 1ya3 h LEU 934 Ca 0.20 -0.03 0.31 0.00 0.84 0.00 0.00 57.88 59.20 1ya3 h LEU 934 Cb 0.00 0.17 -0.11 0.00 0.37 0.00 0.00 40.66 41.10 1ya3 h LEU 934 CO -0.04 -0.31 0.70 0.58 -0.34 0.00 0.00 178.44 179.03 1ya3 h VAL 935 N -1.07 0.42 -0.58 1.05 2.07 -1.36 0.61 116.25 117.39 1ya3 h VAL 935 Ca -0.08 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1ya3 h VAL 935 Cb 0.66 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1ya3 h VAL 935 CO 0.13 0.06 0.30 -1.28 0.02 0.00 0.00 177.57 176.80 1ya3 h SER 936 N 0.33 0.73 0.47 0.57 0.87 -1.08 0.26 113.55 115.70 1ya3 h SER 936 Ca 0.66 -0.11 -0.15 0.00 -1.23 0.00 0.00 61.79 60.96 1ya3 h SER 936 Cb 1.74 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.50 1ya3 h SER 936 CO -0.36 0.63 -0.65 0.44 -0.53 0.00 0.00 176.83 176.36 1ya3 h ASP 937 N 0.78 0.20 0.09 6.23 3.32 0.29 -2.06 116.42 125.27 1ya3 h ASP 937 Ca 0.20 -0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1ya3 h ASP 937 Cb 0.08 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ya3 h ASP 937 CO -0.03 0.80 -0.04 -0.07 -1.72 0.00 0.00 179.24 178.17 1ya3 h LEU 938 N 0.12 -0.10 -0.68 1.55 4.07 0.01 -2.78 115.31 117.50 1ya3 h LEU 938 Ca -0.01 -0.25 0.04 0.00 0.08 0.00 0.00 57.88 57.74 1ya3 h LEU 938 Cb 1.17 0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.89 1ya3 h LEU 938 CO 0.10 0.20 0.41 -0.07 -1.08 0.00 0.00 178.44 178.00 1ya3 h LEU 939 N -0.41 0.66 -0.58 1.67 3.38 -0.52 -0.17 115.31 119.34 1ya3 h LEU 939 Ca -0.01 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1ya3 h LEU 939 Cb 0.34 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 1ya3 h LEU 939 CO 0.02 0.45 0.22 -0.08 0.09 0.00 0.00 178.44 179.14 1ya3 h GLU 940 N 0.79 0.39 -0.17 1.13 4.81 -1.32 0.15 114.58 120.37 1ya3 h GLU 940 Ca 0.28 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 1ya3 h GLU 940 Cb 0.07 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1ya3 h GLU 940 CO -0.13 0.26 -0.43 0.35 -0.73 0.00 0.00 179.01 178.33 1ya3 h PHE 941 N 0.40 0.47 0.51 0.92 3.57 -1.14 -2.97 116.94 118.69 1ya3 h PHE 941 Ca 0.29 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1ya3 h PHE 941 Cb 0.33 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1ya3 h PHE 941 CO -0.16 0.76 -0.24 0.00 -2.23 0.00 0.00 178.31 176.43 1ya3 h PHE 943 N -0.82 0.20 0.41 0.00 0.04 -0.84 0.27 116.94 116.21 1ya3 h PHE 943 Ca -0.07 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.72 1ya3 h PHE 943 Cb 0.58 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1ya3 h PHE 943 CO -0.01 -0.01 -0.31 -0.92 -0.60 0.00 0.00 178.31 176.46 1ya3 h TYR 944 N 0.26 -0.83 -0.33 -0.55 5.03 -1.44 1.01 116.97 120.12 1ya3 h TYR 944 Ca 0.28 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.64 1ya3 h TYR 944 Cb 0.40 0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.97 1ya3 h TYR 944 CO -0.23 -0.46 0.23 1.15 -1.32 0.00 0.00 178.16 177.52 1ya3 h THR 945 N -0.72 0.97 -0.05 1.81 2.02 -0.53 -1.89 112.91 114.52 1ya3 h THR 945 Ca -0.04 -0.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.93 1ya3 h THR 945 Cb 0.61 0.69 0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1ya3 h THR 945 CO 0.00 0.05 -0.45 0.15 0.37 0.00 0.00 175.52 175.64 1ya3 h PHE 946 N 0.26 0.56 0.00 3.16 3.57 0.27 -1.46 116.94 123.30 1ya3 h PHE 946 Ca 0.14 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1ya3 h PHE 946 Cb 0.24 -0.08 0.00 0.00 2.79 0.00 0.00 35.95 38.90 1ya3 h PHE 946 CO -0.00 1.04 0.00 -2.13 -2.23 0.00 0.00 178.31 174.99 1ya3 n ARG 947 N -4.31 0.85 -0.73 1.11 0.63 0.34 -2.78 116.66 111.77 1ya3 n ARG 947 Ca -0.09 0.00 -0.04 0.00 -0.92 0.00 0.00 57.85 56.80 1ya3 n ARG 947 Cb 0.58 -1.42 -0.04 0.00 0.45 0.00 0.00 32.46 32.03 1ya3 n ARG 947 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 1ya3 n GLU 948 N 0.08 0.00 0.16 -0.14 -0.58 -1.07 -4.96 120.64 114.13 1ya3 n GLU 948 Ca 0.00 -0.53 0.06 0.00 -0.42 0.00 0.00 57.16 56.28 1ya3 n GLU 948 Cb 0.22 0.33 0.55 0.00 -0.57 0.00 0.00 31.44 31.97 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 0.00 0.18 -0.08 1.62 4.64 -1.08 -0.96 113.55 117.87 1ya3 h SER 949 Ca -0.30 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 1ya3 h SER 949 Cb 1.08 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1ya3 h SER 949 CO -0.15 0.14 0.01 0.45 -0.87 0.00 0.00 176.83 176.40 1ya3 h HIS 950 N 0.21 0.14 0.00 4.77 3.86 -1.86 0.17 115.15 122.45 1ya3 h HIS 950 Ca 0.06 -0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1ya3 h HIS 950 Cb -0.02 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.41 1ya3 h HIS 950 CO 0.00 0.35 0.00 0.00 0.86 0.00 0.00 177.93 179.14 1ya3 n ALA 951 N -2.25 -0.46 0.26 2.45 0.00 -0.73 -3.34 120.51 116.44 1ya3 n ALA 951 Ca -0.06 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.56 1ya3 n ALA 951 Cb 0.17 0.04 0.91 0.00 0.00 0.00 0.00 19.45 20.56 1ya3 n ALA 951 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ya3 h LEU 952 N 0.00 0.00 -1.81 0.00 -0.00 -1.29 -3.46 115.31 108.75 1ya3 h LEU 952 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.77 1ya3 h LEU 952 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 40.71 1ya3 h LEU 952 CO 0.00 0.00 -0.24 2.29 -0.00 0.00 0.00 178.44 180.49 1ya3 n LYS 953 N -3.50 -2.15 -4.07 1.13 2.85 0.53 -4.83 118.16 108.11 1ya3 n LYS 953 Ca -0.00 0.27 -0.32 0.00 -1.05 0.00 0.00 58.31 57.20 1ya3 n LYS 953 Cb 0.28 -3.57 -0.15 0.00 -0.65 0.00 0.00 35.03 30.93 1ya3 n LYS 953 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1ya3 s VAL 954 N -3.11 2.21 0.17 0.58 1.01 -0.69 -4.72 120.40 115.85 1ya3 s VAL 954 Ca 0.02 -1.46 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 1ya3 s VAL 954 Cb -0.01 -2.22 -0.07 0.00 0.00 0.00 0.00 36.38 34.08 1ya3 s VAL 954 CO 0.23 0.09 1.07 -1.61 0.00 0.00 0.00 175.10 174.89 1ya3 s GLU 955 N 1.16 4.62 -0.02 2.72 2.02 -1.26 -4.69 118.70 123.24 1ya3 s GLU 955 Ca -0.06 1.66 0.03 0.00 0.02 0.00 0.00 54.97 56.62 1ya3 s GLU 955 Cb -0.18 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 1ya3 s GLU 955 CO -0.06 0.11 -0.08 -0.06 0.02 0.00 0.00 175.26 175.18 1ya3 s PHE 956 N -0.21 2.86 0.53 1.61 0.40 -1.26 -4.44 117.98 117.47 1ya3 s PHE 956 Ca 0.49 -0.05 -0.20 0.00 -0.60 0.00 0.00 56.93 56.56 1ya3 s PHE 956 Cb -0.28 -1.63 -0.06 0.00 0.51 0.00 0.00 43.02 41.56 1ya3 s PHE 956 CO 0.34 0.33 1.17 -2.14 0.70 0.00 0.00 175.22 175.62 1ya3 s PRO 957 N -1.15 3.36 0.28 0.24 0.02 -1.26 -4.77 135.00 131.71 1ya3 s PRO 957 Ca 0.15 1.75 -0.02 0.00 0.02 0.00 0.00 61.00 62.91 1ya3 s PRO 957 Cb -0.11 -2.12 0.43 0.00 0.02 0.00 0.00 34.50 32.73 1ya3 s PRO 957 CO 0.05 -0.88 1.91 0.00 -0.33 0.00 0.00 177.00 177.75 1ya3 h ALA 958 N 1.38 1.43 -0.67 -1.55 0.00 -1.98 0.47 119.26 118.34 1ya3 h ALA 958 Ca -0.50 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.43 1ya3 h ALA 958 Cb 1.27 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1ya3 h ALA 958 CO 0.57 0.45 0.38 1.98 0.00 0.00 0.00 179.25 182.64 1ya3 h MET 959 N 1.15 0.69 0.02 0.00 -1.53 -1.97 0.79 114.93 114.08 1ya3 h MET 959 Ca 0.40 -0.04 -0.00 0.00 -3.44 0.00 0.00 59.70 56.61 1ya3 h MET 959 Cb 0.10 -0.16 0.00 0.00 -0.55 0.00 0.00 31.60 31.00 1ya3 h MET 959 CO -0.14 0.46 -0.01 -0.07 0.14 0.00 0.00 176.91 177.28 1ya3 h LEU 960 N 0.71 -0.03 -1.15 3.39 4.07 -1.58 -2.43 115.31 118.28 1ya3 h LEU 960 Ca 0.29 -0.35 0.20 0.00 0.08 0.00 0.00 57.88 58.11 1ya3 h LEU 960 Cb 0.16 0.01 -0.10 0.00 1.08 0.00 0.00 40.66 41.81 1ya3 h LEU 960 CO -0.17 0.33 0.62 0.58 -1.08 0.00 0.00 178.44 178.72 1ya3 h VAL 961 N -0.39 0.69 0.29 1.22 2.07 -0.60 0.55 116.25 120.08 1ya3 h VAL 961 Ca -0.00 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 1ya3 h VAL 961 Cb 0.37 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1ya3 h VAL 961 CO 0.01 0.12 -0.15 -0.08 0.02 0.00 0.00 177.57 177.48 1ya3 h GLU 962 N 0.66 -0.39 0.60 1.57 4.57 -0.56 -1.92 114.58 119.10 1ya3 h GLU 962 Ca 0.55 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.73 1ya3 h GLU 962 Cb 1.01 0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.69 1ya3 h GLU 962 CO -0.32 -0.26 -0.29 0.82 -1.18 0.00 0.00 179.01 177.78 1ya3 h ILE 963 N -0.41 0.00 -0.99 2.32 2.04 -0.71 -3.02 117.51 116.74 1ya3 h ILE 963 Ca -0.04 -0.17 0.23 0.00 1.00 0.00 0.00 64.86 65.88 1ya3 h ILE 963 Cb 0.32 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.28 1ya3 h ILE 963 CO 0.06 0.00 0.57 0.40 0.00 0.00 0.00 178.15 179.17 1ya3 h ILE 964 N -0.97 0.55 -0.17 -0.67 2.04 -1.04 0.18 117.51 117.44 1ya3 h ILE 964 Ca -0.08 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1ya3 h ILE 964 Cb 0.61 -0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1ya3 h ILE 964 CO 0.13 0.11 -0.08 -1.28 0.00 0.00 0.00 178.15 177.03 1ya3 h SER 965 N 0.58 0.24 0.28 1.72 0.87 -1.39 0.30 113.55 116.15 1ya3 h SER 965 Ca 0.62 -0.04 -0.34 0.00 -1.23 0.00 0.00 61.79 60.80 1ya3 h SER 965 Cb 1.15 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1ya3 h SER 965 CO -0.47 0.36 -1.73 -0.78 -0.53 0.00 0.00 176.83 173.68 1ya3 h ASP 966 N 0.25 0.46 0.50 6.23 3.58 -0.62 -3.39 116.42 123.41 1ya3 h ASP 966 Ca 0.05 -0.74 -0.23 0.00 0.42 0.00 0.00 57.03 56.53 1ya3 h ASP 966 Cb 0.31 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.21 1ya3 h ASP 966 CO 0.02 1.63 -1.02 -0.61 -2.88 0.00 0.00 179.24 176.38 1ya3 h GLN 967 N 0.08 0.31 -0.51 0.28 4.15 -0.73 -3.36 115.11 115.33 1ya3 h GLN 967 Ca -0.32 -0.39 0.10 0.00 0.77 0.00 0.00 58.65 58.81 1ya3 h GLN 967 Cb 2.05 0.12 -0.09 0.00 0.21 0.00 0.00 27.48 29.78 1ya3 h GLN 967 CO 0.15 1.10 -0.03 1.25 -1.93 0.00 0.00 178.83 179.38 1ya3 h LEU 968 N 0.15 -0.27 0.42 -2.39 6.46 -0.60 -0.55 115.31 118.53 1ya3 h LEU 968 Ca -0.09 0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 1ya3 h LEU 968 Cb 1.69 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 41.86 1ya3 h LEU 968 CO 0.17 -0.10 -0.20 1.55 -0.62 0.00 0.00 178.44 179.24 1ya3 h PRO 969 N 0.09 -0.54 -1.08 5.25 0.13 -1.79 -2.09 132.00 131.97 1ya3 h PRO 969 Ca 0.26 0.04 0.30 0.00 -0.87 0.00 0.00 66.00 65.72 1ya3 h PRO 969 Cb 0.39 0.12 -0.10 0.00 0.13 0.00 0.00 31.00 31.54 1ya3 h PRO 969 CO -0.45 -0.25 0.70 0.87 -0.23 0.00 0.00 178.00 178.64 1ya3 h LYS 970 N -0.81 0.33 0.15 0.86 1.57 -1.64 0.96 116.57 117.99 1ya3 h LYS 970 Ca -0.06 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1ya3 h LYS 970 Cb 0.54 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1ya3 h LYS 970 CO 0.09 0.22 -0.07 0.28 -0.57 0.00 0.00 179.45 179.40 1ya3 h VAL 971 N 0.34 0.35 0.00 0.50 2.07 -1.03 0.63 116.25 119.11 1ya3 h VAL 971 Ca 0.64 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1ya3 h VAL 971 Cb 1.69 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1ya3 h VAL 971 CO -0.33 0.11 0.00 -0.33 0.02 0.00 0.00 177.57 177.04 1ya3 h GLU 972 N -1.01 0.00 -0.68 1.57 5.08 -0.88 0.60 114.58 119.26 1ya3 h GLU 972 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1ya3 h GLU 972 Cb 0.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1ya3 h GLU 972 CO 0.03 0.00 0.00 0.45 -1.00 0.00 0.00 179.01 178.49 1ya3 n SER 973 N -2.37 3.88 0.00 1.42 2.88 0.29 -4.94 113.62 114.79 1ya3 n SER 973 Ca -0.02 -2.00 0.00 0.00 -1.33 0.00 0.00 58.87 55.53 1ya3 n SER 973 Cb 0.04 -0.46 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 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 1.61 0.22 0.30 0.46 0.00 0.21 -4.82 105.19 103.17 1ya3 n GLY 974 Ca 0.24 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.44 1ya3 n GLY 974 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ya3 h ASN 975 N 0.00 0.00 -4.11 1.61 2.35 0.09 -3.42 115.58 112.10 1ya3 h ASN 975 Ca 0.00 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.27 1ya3 h ASN 975 Cb 0.43 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.82 1ya3 h ASN 975 CO 0.00 0.00 0.33 0.00 -1.65 0.00 0.00 177.43 176.11 1ya3 s ALA 976 N -4.00 3.13 -0.26 -0.83 0.00 -1.08 -0.61 121.76 118.12 1ya3 s ALA 976 Ca -0.04 0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.97 1ya3 s ALA 976 Cb 0.11 -3.03 0.13 0.00 0.00 0.00 0.00 23.12 20.33 1ya3 s ALA 976 CO 0.33 -0.25 0.31 0.21 0.00 0.00 0.00 175.76 176.37 1ya3 s LYS 977 N -4.17 0.31 0.43 0.00 2.20 -1.08 -4.72 119.74 112.71 1ya3 s LYS 977 Ca 0.57 0.14 -0.23 0.00 -0.36 0.00 0.00 55.97 56.09 1ya3 s LYS 977 Cb -0.10 -0.70 -0.09 0.00 -1.51 0.00 0.00 37.83 35.43 1ya3 s LYS 977 CO 0.34 -0.85 1.05 -2.14 -0.36 0.00 0.00 175.35 173.39 1ya3 s PRO 978 N 2.42 4.01 -0.19 4.03 0.02 -1.26 -2.39 135.00 141.64 1ya3 s PRO 978 Ca 0.10 1.47 -0.07 0.00 0.02 0.00 0.00 61.00 62.51 1ya3 s PRO 978 Cb -0.15 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.97 1ya3 s PRO 978 CO -0.24 -0.27 0.06 -0.51 -0.33 0.00 0.00 177.00 175.71 1ya3 s LEU 979 N -2.97 3.74 0.05 -5.54 1.43 0.21 -4.97 118.68 110.63 1ya3 s LEU 979 Ca 0.62 0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 1ya3 s LEU 979 Cb -0.20 -1.95 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 1ya3 s LEU 979 CO 0.25 0.15 -0.05 -0.31 0.23 0.00 0.00 176.35 176.63 1ya3 s TYR 980 N 0.49 2.90 -0.38 0.29 2.02 -1.26 -4.93 117.35 116.49 1ya3 s TYR 980 Ca 0.03 -0.05 0.22 0.00 -0.37 0.00 0.00 57.07 56.90 1ya3 s TYR 980 Cb -0.13 -1.55 0.27 0.00 -0.40 0.00 0.00 41.96 40.14 1ya3 s TYR 980 CO 0.01 0.43 1.51 0.74 -1.57 0.00 0.00 175.55 176.67 1ya3 h PHE 981 N 3.98 0.00 0.00 2.71 0.04 -1.97 -3.52 116.94 118.17 1ya3 h PHE 981 Ca -0.48 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.29 1ya3 h PHE 981 Cb 1.17 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.32 1ya3 h PHE 981 CO 0.59 0.06 0.00 0.72 -0.60 0.00 0.00 178.31 179.08