#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y9r n PRO 738 N 0.00 -0.06 -0.25 -1.46 -0.02 -1.26 -1.01 135.00 130.94 1y9r n PRO 738 Ca 0.00 0.23 -0.03 0.00 -2.02 0.00 0.00 63.50 61.68 1y9r n PRO 738 Cb 0.00 -0.34 -0.01 0.00 -0.02 0.00 0.00 33.50 33.13 1y9r n PRO 738 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1y9r n VAL 739 N -4.20 -0.37 -0.10 -1.45 3.14 -1.26 0.12 118.33 114.20 1y9r n VAL 739 Ca 0.01 1.52 -0.07 0.00 -2.96 0.00 0.00 64.34 62.83 1y9r n VAL 739 Cb 0.05 -1.95 -0.01 0.00 -1.06 0.00 0.00 33.84 30.87 1y9r n VAL 739 CO 0.00 0.00 0.00 0.24 -6.46 0.00 0.00 176.83 170.61 1y9r h MET 740 N 0.00 -0.21 -0.14 1.45 2.86 -1.53 0.10 114.93 117.46 1y9r h MET 740 Ca 0.18 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.85 1y9r h MET 740 Cb 0.34 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1y9r h MET 740 CO -0.62 -0.14 0.10 -0.39 1.06 0.00 0.00 176.91 176.91 1y9r h VAL 741 N -0.22 0.99 -0.29 -2.22 -1.51 0.73 -2.45 116.25 111.28 1y9r h VAL 741 Ca 0.17 -0.04 -0.15 0.00 -1.23 0.00 0.00 66.70 65.46 1y9r h VAL 741 Cb 0.49 0.87 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 1y9r h VAL 741 CO -0.48 0.02 -0.42 -0.07 -1.23 0.00 0.00 177.57 175.39 1y9r h LEU 742 N 0.11 0.77 -0.17 4.19 3.38 0.11 -1.39 115.31 122.31 1y9r h LEU 742 Ca 0.06 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1y9r h LEU 742 Cb 0.10 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1y9r h LEU 742 CO -0.01 1.09 0.06 -0.33 0.09 0.00 0.00 178.44 179.34 1y9r h GLU 743 N 0.59 0.14 0.25 1.13 4.39 -0.88 0.50 114.58 120.70 1y9r h GLU 743 Ca 0.04 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1y9r h GLU 743 Cb 0.96 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 1y9r h GLU 743 CO 0.09 0.09 -0.30 -0.97 -1.16 0.00 0.00 179.01 176.76 1y9r h ASN 744 N 0.15 -0.83 1.22 1.42 -0.00 -1.44 -2.84 115.58 113.26 1y9r h ASN 744 Ca 0.07 0.08 -0.00 0.00 -0.00 0.00 0.00 56.30 56.45 1y9r h ASN 744 Cb 0.04 0.29 -0.00 0.00 -0.00 0.00 0.00 38.32 38.65 1y9r h ASN 744 CO -0.07 -0.42 -0.00 0.16 -0.00 0.00 0.00 177.43 177.10 1y9r h ILE 745 N -0.60 0.00 -0.53 2.57 3.07 -1.05 -3.45 117.51 117.52 1y9r h ILE 745 Ca -0.00 -0.61 -0.51 0.00 1.55 0.00 0.00 64.86 65.28 1y9r h ILE 745 Cb 0.57 1.61 -0.05 0.00 -0.27 0.00 0.00 36.82 38.68 1y9r h ILE 745 CO -0.09 0.00 1.68 1.21 -1.05 0.00 0.00 178.15 179.90 1y9r n GLU 746 N -3.09 0.37 -0.74 0.16 4.07 0.17 -4.80 120.64 116.79 1y9r n GLU 746 Ca 0.01 0.02 -0.24 0.00 -0.06 0.00 0.00 57.16 56.89 1y9r n GLU 746 Cb 0.35 -2.13 0.01 0.00 -0.06 0.00 0.00 31.44 29.62 1y9r n GLU 746 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1y9r n PRO 747 N 8.58 0.00 0.00 5.31 -0.04 -1.26 -5.02 135.00 142.57 1y9r n PRO 747 Ca 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1y9r n PRO 747 Cb 0.19 -0.63 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 1y9r n PRO 747 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1y9r n GLU 748 N 1.16 3.16 -3.05 0.54 1.02 -1.26 -5.09 120.64 117.12 1y9r n GLU 748 Ca 0.03 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.80 1y9r n GLU 748 Cb 0.32 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.68 1y9r n GLU 748 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1y9r s ILE 749 N 4.28 4.49 -0.01 -3.67 1.01 -1.26 -5.08 121.20 120.95 1y9r s ILE 749 Ca 0.00 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.07 1y9r s ILE 749 Cb 0.00 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.56 1y9r s ILE 749 CO 0.00 0.27 0.02 -0.69 0.00 0.00 0.00 174.94 174.55 1y9r s VAL 750 N -1.45 -0.03 -0.12 2.92 1.01 -1.26 -5.13 120.40 116.33 1y9r s VAL 750 Ca 0.42 0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1y9r s VAL 750 Cb -0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 1y9r s VAL 750 CO 0.22 0.05 0.06 -0.31 0.00 0.00 0.00 175.10 175.13 1y9r s TYR 751 N 0.63 3.33 0.08 5.22 1.51 -1.26 -4.17 117.35 122.68 1y9r s TYR 751 Ca -0.05 0.26 -0.12 0.00 -1.01 0.00 0.00 57.07 56.15 1y9r s TYR 751 Cb -0.07 -1.92 -0.22 0.00 -0.11 0.00 0.00 41.96 39.64 1y9r s TYR 751 CO -0.02 0.46 1.19 0.00 -1.11 0.00 0.00 175.55 176.08 1y9r h ALA 752 N 5.56 0.15 -4.08 3.71 0.00 -1.93 -3.46 119.26 119.20 1y9r h ALA 752 Ca -0.48 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 53.70 1y9r h ALA 752 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1y9r h ALA 752 CO 0.60 0.73 -0.26 0.41 0.00 0.00 0.00 179.25 180.72 1y9r n GLY 753 N 1.14 -1.27 3.05 0.00 0.00 -1.26 -4.52 105.19 102.33 1y9r n GLY 753 Ca -0.11 0.50 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 1y9r n GLY 753 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1y9r s TYR 754 N -1.66 2.66 -0.93 1.61 -0.00 -1.26 -5.01 117.35 112.75 1y9r s TYR 754 Ca 0.11 -1.71 -0.20 0.00 -0.00 0.00 0.00 57.07 55.27 1y9r s TYR 754 Cb -0.03 -1.77 -0.11 0.00 -0.00 0.00 0.00 41.96 40.05 1y9r s TYR 754 CO 0.37 -0.78 1.99 -3.47 -0.00 0.00 0.00 175.55 173.66 1y9r n ASP 755 N 4.63 2.84 -4.76 -0.18 4.64 -1.26 -4.89 116.55 117.56 1y9r n ASP 755 Ca -0.17 -2.72 -0.37 0.00 -1.38 0.00 0.00 54.79 50.16 1y9r n ASP 755 Cb 0.47 -1.25 0.01 0.00 -1.04 0.00 0.00 41.12 39.31 1y9r n ASP 755 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 1y9r s SER 756 N 4.61 5.70 0.00 1.67 0.01 -1.26 -4.72 113.70 119.71 1y9r s SER 756 Ca 0.55 2.37 0.00 0.00 1.31 0.00 0.00 55.95 60.18 1y9r s SER 756 Cb 0.14 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.77 1y9r s SER 756 CO 0.07 -1.24 0.00 -0.24 0.41 0.00 0.00 173.24 172.24 1y9r n SER 757 N -1.01 0.00 -4.85 2.44 2.88 -1.26 -5.15 113.62 106.67 1y9r n SER 757 Ca 0.10 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.35 1y9r n SER 757 Cb 0.49 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 64.04 1y9r n SER 757 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1y9r s LYS 758 N 0.00 1.85 -0.37 -1.46 1.02 -1.26 -4.91 119.74 114.61 1y9r s LYS 758 Ca 0.00 0.31 -0.42 0.00 0.02 0.00 0.00 55.97 55.87 1y9r s LYS 758 Cb 0.00 -1.92 -0.19 0.00 -0.52 0.00 0.00 37.83 35.20 1y9r s LYS 758 CO 0.00 -1.71 1.39 -2.30 -0.92 0.00 0.00 175.35 171.81 1y9r n PRO 759 N -3.43 0.00 -3.63 -1.68 -0.02 -1.26 -4.91 135.00 120.06 1y9r n PRO 759 Ca 0.07 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.16 1y9r n PRO 759 Cb 0.59 -1.39 -0.08 0.00 -0.02 0.00 0.00 33.50 32.60 1y9r n PRO 759 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1y9r s ASP 760 N 2.24 5.58 0.55 2.55 3.84 -1.26 -4.98 116.67 125.19 1y9r s ASP 760 Ca 0.95 -2.70 0.05 0.00 -0.00 0.00 0.00 52.55 50.86 1y9r s ASP 760 Cb -1.35 -1.94 0.09 0.00 -1.38 0.00 0.00 42.92 38.35 1y9r s ASP 760 CO 0.72 -0.45 0.73 0.41 -0.00 0.00 0.00 175.17 176.58 1y9r n THR 761 N 3.76 0.00 -0.30 2.11 -1.04 -1.26 -4.73 114.28 112.82 1y9r n THR 761 Ca 0.07 -1.53 -0.03 0.00 -2.04 0.00 0.00 64.05 60.52 1y9r n THR 761 Cb 0.40 -0.71 -0.00 0.00 -1.82 0.00 0.00 70.33 68.19 1y9r n THR 761 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1y9r n ALA 762 N -2.59 -0.22 0.06 2.41 0.00 -1.25 0.17 120.51 119.09 1y9r n ALA 762 Ca -0.12 0.72 0.04 0.00 0.00 0.00 0.00 53.44 54.08 1y9r n ALA 762 Cb 0.50 -0.26 0.21 0.00 0.00 0.00 0.00 19.45 19.90 1y9r n ALA 762 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1y9r n GLU 763 N -5.06 0.05 -0.13 0.00 0.28 -1.26 -2.73 120.64 111.79 1y9r n GLU 763 Ca 0.06 0.51 -0.27 0.00 -0.16 0.00 0.00 57.16 57.30 1y9r n GLU 763 Cb 0.27 -1.73 -0.09 0.00 1.43 0.00 0.00 31.44 31.32 1y9r n GLU 763 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1y9r n ASN 764 N -1.74 1.95 0.09 -1.84 4.13 0.45 -4.19 115.26 114.11 1y9r n ASN 764 Ca -0.01 0.35 -0.13 0.00 1.68 0.00 0.00 54.58 56.47 1y9r n ASN 764 Cb 0.08 -0.82 -0.07 0.00 -1.54 0.00 0.00 39.78 37.43 1y9r n ASN 764 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1y9r h LEU 765 N -1.00 -0.19 -0.54 3.41 -0.00 -1.31 -3.05 115.31 112.63 1y9r h LEU 765 Ca -0.60 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.29 1y9r h LEU 765 Cb 1.52 0.06 -0.03 0.00 -0.00 0.00 0.00 40.66 42.22 1y9r h LEU 765 CO -0.36 -0.12 0.33 -0.07 -0.00 0.00 0.00 178.44 178.21 1y9r h LEU 766 N -0.18 0.64 -1.19 1.67 3.38 -1.78 0.18 115.31 118.03 1y9r h LEU 766 Ca -0.00 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1y9r h LEU 766 Cb 0.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1y9r h LEU 766 CO -0.00 0.50 -0.15 0.77 0.09 0.00 0.00 178.44 179.65 1y9r h SER 767 N 0.72 0.37 0.32 -0.43 4.64 -1.72 0.41 113.55 117.85 1y9r h SER 767 Ca 0.19 -0.09 -0.28 0.00 -0.47 0.00 0.00 61.79 61.14 1y9r h SER 767 Cb -0.02 -0.10 0.02 0.00 -0.31 0.00 0.00 62.40 61.98 1y9r h SER 767 CO -0.04 0.54 -1.19 0.74 -0.87 0.00 0.00 176.83 176.01 1y9r h THR 768 N 0.36 1.37 -0.34 2.95 2.02 -1.39 -1.52 112.91 116.35 1y9r h THR 768 Ca 0.07 -2.63 -0.03 0.00 0.77 0.00 0.00 66.41 64.59 1y9r h THR 768 Cb 0.47 2.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.59 1y9r h THR 768 CO 0.03 0.79 0.11 -0.07 0.37 0.00 0.00 175.52 176.74 1y9r h LEU 769 N 0.20 0.49 0.42 2.58 3.38 -0.26 0.37 115.31 122.50 1y9r h LEU 769 Ca -0.15 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1y9r h LEU 769 Cb 1.87 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1y9r h LEU 769 CO 0.22 0.57 -0.29 0.78 0.09 0.00 0.00 178.44 179.81 1y9r h ASN 770 N 0.39 -0.73 -0.80 -0.43 2.35 -0.24 0.43 115.58 116.55 1y9r h ASN 770 Ca 0.11 0.05 0.19 0.00 -0.55 0.00 0.00 56.30 56.10 1y9r h ASN 770 Cb 0.25 0.23 -0.13 0.00 0.05 0.00 0.00 38.32 38.71 1y9r h ASN 770 CO -0.00 -0.44 0.10 -0.09 -1.65 0.00 0.00 177.43 175.34 1y9r h ARG 771 N -0.69 0.15 -0.13 0.81 9.65 -0.95 0.51 114.38 123.74 1y9r h ARG 771 Ca -0.04 -0.01 0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1y9r h ARG 771 Cb 0.58 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.08 1y9r h ARG 771 CO 0.03 0.10 -0.13 1.25 2.80 0.00 0.00 179.97 184.01 1y9r h LEU 772 N 0.15 -0.41 -0.77 3.80 5.85 0.57 -1.78 115.31 122.72 1y9r h LEU 772 Ca 0.46 0.08 0.13 0.00 0.84 0.00 0.00 57.88 59.39 1y9r h LEU 772 Cb 0.86 0.20 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 1y9r h LEU 772 CO -0.65 -0.17 0.36 0.00 -0.34 0.00 0.00 178.44 177.63 1y9r h ALA 773 N 0.92 1.11 -0.55 1.25 0.00 0.21 -0.59 119.26 121.60 1y9r h ALA 773 Ca 0.09 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.16 1y9r h ALA 773 Cb 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1y9r h ALA 773 CO -0.22 -0.12 0.37 0.78 0.00 0.00 0.00 179.25 180.06 1y9r h GLY 774 N 0.55 0.58 1.39 0.00 0.00 -0.10 -2.23 103.07 103.25 1y9r h GLY 774 Ca 0.41 -0.18 -0.31 0.00 0.00 0.00 0.00 47.33 47.25 1y9r h GLY 774 CO -0.35 0.13 -1.41 0.50 0.00 0.00 0.00 176.54 175.41 1y9r h LYS 775 N 0.45 0.43 -0.25 4.80 1.57 -0.78 -3.32 116.57 119.47 1y9r h LYS 775 Ca 0.24 -0.74 -0.06 0.00 -1.87 0.00 0.00 60.65 58.22 1y9r h LYS 775 Cb 0.39 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 1y9r h LYS 775 CO -0.07 1.35 -0.12 1.96 -0.57 0.00 0.00 179.45 182.00 1y9r h GLN 776 N 0.12 0.42 -0.60 3.15 4.20 -1.11 -2.89 115.11 118.40 1y9r h GLN 776 Ca -0.21 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.41 1y9r h GLN 776 Cb 2.09 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 29.79 1y9r h GLN 776 CO 0.24 0.54 0.37 1.98 -0.67 0.00 0.00 178.83 181.30 1y9r h MET 777 N 0.39 0.72 -0.54 1.46 4.05 -1.50 0.38 114.93 119.88 1y9r h MET 777 Ca 0.07 -0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.58 1y9r h MET 777 Cb 0.45 -0.16 -0.03 0.00 -0.80 0.00 0.00 31.60 31.06 1y9r h MET 777 CO 0.03 0.48 0.38 0.97 0.23 0.00 0.00 176.91 178.99 1y9r h ILE 778 N 0.74 0.80 0.03 1.77 2.10 -1.61 -0.81 117.51 120.52 1y9r h ILE 778 Ca 0.24 -0.05 -0.11 0.00 1.08 0.00 0.00 64.86 66.02 1y9r h ILE 778 Cb -0.00 0.63 0.01 0.00 -1.09 0.00 0.00 36.82 36.37 1y9r h ILE 778 CO -0.09 0.03 -0.43 -0.61 -1.08 0.00 0.00 178.15 175.96 1y9r h GLN 779 N 0.15 0.24 -0.95 2.19 4.15 -0.73 -3.00 115.11 117.15 1y9r h GLN 779 Ca 0.26 -0.30 0.06 0.00 0.77 0.00 0.00 58.65 59.43 1y9r h GLN 779 Cb 0.82 0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.54 1y9r h GLN 779 CO -0.04 1.04 0.61 0.28 -1.93 0.00 0.00 178.83 178.80 1y9r h VAL 780 N -0.42 1.10 -0.51 2.39 2.07 0.90 -0.16 116.25 121.62 1y9r h VAL 780 Ca -0.06 -0.39 -0.08 0.00 0.82 0.00 0.00 66.70 66.98 1y9r h VAL 780 Cb 1.22 -0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1y9r h VAL 780 CO 0.08 0.21 -0.01 -0.37 0.02 0.00 0.00 177.57 177.50 1y9r h VAL 781 N 1.14 1.26 -0.50 2.57 -1.51 -1.30 0.85 116.25 118.76 1y9r h VAL 781 Ca 0.40 -1.10 0.01 0.00 -1.23 0.00 0.00 66.70 64.78 1y9r h VAL 781 Cb 0.12 0.96 -0.02 0.00 -2.13 0.00 0.00 31.29 30.21 1y9r h VAL 781 CO -0.16 0.39 0.33 0.50 -1.23 0.00 0.00 177.57 177.40 1y9r h LYS 782 N 0.78 0.66 0.43 5.19 3.11 -1.21 -1.82 116.57 123.70 1y9r h LYS 782 Ca 0.14 -0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.92 1y9r h LYS 782 Cb 0.53 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1y9r h LYS 782 CO 0.03 0.43 -0.21 2.35 -2.81 0.00 0.00 179.45 179.24 1y9r h TRP 783 N 0.68 -0.54 -0.94 1.91 7.01 -0.47 -3.34 115.95 120.25 1y9r h TRP 783 Ca 0.18 -0.01 0.19 0.00 2.11 0.00 0.00 58.89 61.37 1y9r h TRP 783 Cb -0.07 0.18 -0.11 0.00 -2.10 0.00 0.00 29.16 27.06 1y9r h TRP 783 CO -0.00 -0.34 0.51 0.00 -2.79 0.00 0.00 178.44 175.83 1y9r h ALA 784 N -1.28 1.53 0.00 2.65 0.00 -0.72 -2.40 119.26 119.04 1y9r h ALA 784 Ca -0.06 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1y9r h ALA 784 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1y9r h ALA 784 CO 0.10 -0.16 0.06 1.57 0.00 0.00 0.00 179.25 180.82 1y9r h LYS 785 N 0.62 0.00 -0.01 0.00 2.10 -1.45 -1.47 116.57 116.36 1y9r h LYS 785 Ca 0.55 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.20 1y9r h LYS 785 Cb 0.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.25 1y9r h LYS 785 CO -0.42 0.00 -0.32 1.33 -2.00 0.00 0.00 179.45 178.03 1y9r n VAL 786 N -2.35 0.00 -1.66 0.07 0.24 -0.90 -4.60 118.33 109.12 1y9r n VAL 786 Ca -0.02 -0.34 -0.44 0.00 -2.04 0.00 0.00 64.34 61.51 1y9r n VAL 786 Cb 0.10 1.11 -0.01 0.00 -1.47 0.00 0.00 33.84 33.56 1y9r n VAL 786 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1y9r n LEU 787 N -0.47 2.99 -4.73 1.34 7.94 -0.55 -4.85 117.00 118.67 1y9r n LEU 787 Ca 0.04 1.19 -0.42 0.00 -1.11 0.00 0.00 56.01 55.71 1y9r n LEU 787 Cb 0.24 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 42.74 1y9r n LEU 787 CO 0.17 -0.72 1.21 -2.84 -1.11 0.00 0.00 177.39 174.10 1y9r s PRO 788 N -1.44 4.21 0.00 1.96 0.02 -1.26 -2.02 135.00 136.48 1y9r s PRO 788 Ca 0.59 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.00 1y9r s PRO 788 Cb -0.62 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 30.77 1y9r s PRO 788 CO 0.59 -0.58 0.00 0.41 -0.33 0.00 0.00 177.00 177.09 1y9r n GLY 789 N 3.28 1.54 0.26 0.52 0.00 -1.26 -4.65 105.19 104.88 1y9r n GLY 789 Ca 0.12 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 1y9r n GLY 789 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1y9r h PHE 790 N 0.00 0.92 0.00 1.61 3.57 -1.90 -2.27 116.94 118.87 1y9r h PHE 790 Ca 0.00 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 1y9r h PHE 790 Cb 0.00 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.48 1y9r h PHE 790 CO 0.00 0.82 0.00 0.36 -2.23 0.00 0.00 178.31 177.26 1y9r n LYS 791 N -4.39 0.06 0.08 1.11 2.85 -0.86 -2.32 118.16 114.70 1y9r n LYS 791 Ca 0.02 0.28 0.08 0.00 -1.05 0.00 0.00 58.31 57.63 1y9r n LYS 791 Cb 0.25 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.10 1y9r n LYS 791 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1y9r h ASN 792 N 0.00 0.00 -3.63 -5.58 2.35 -1.67 -3.46 115.58 103.58 1y9r h ASN 792 Ca 0.00 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.24 1y9r h ASN 792 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1y9r h ASN 792 CO 0.00 0.20 0.37 -0.76 -1.65 0.00 0.00 177.43 175.59 1y9r s LEU 793 N -5.52 4.55 0.54 1.61 1.43 -0.98 -4.97 118.68 115.33 1y9r s LEU 793 Ca -0.01 1.88 -0.18 0.00 -1.03 0.00 0.00 54.13 54.79 1y9r s LEU 793 Cb 0.09 -3.60 -0.11 0.00 0.03 0.00 0.00 46.19 42.60 1y9r s LEU 793 CO 0.80 -0.01 0.28 -0.81 0.23 0.00 0.00 176.35 176.83 1y9r n PRO 794 N 2.29 0.31 -0.61 1.29 -0.04 -1.26 -4.52 135.00 132.46 1y9r n PRO 794 Ca 0.01 0.12 0.48 0.00 -0.04 0.00 0.00 63.50 64.07 1y9r n PRO 794 Cb 0.48 -1.42 0.79 0.00 -0.04 0.00 0.00 33.50 33.31 1y9r n PRO 794 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1y9r h LEU 795 N 0.17 0.03 0.72 1.53 5.85 -1.94 -1.98 115.31 119.69 1y9r h LEU 795 Ca -0.44 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.27 1y9r h LEU 795 Cb 1.42 0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.48 1y9r h LEU 795 CO 0.45 -0.03 -0.35 -0.33 -0.34 0.00 0.00 178.44 177.85 1y9r h GLU 796 N 0.01 -0.93 -0.62 1.25 3.07 -2.01 -2.59 114.58 112.76 1y9r h GLU 796 Ca 0.86 0.06 0.04 0.00 -0.50 0.00 0.00 59.36 59.83 1y9r h GLU 796 Cb 3.36 0.21 -0.05 0.00 -0.84 0.00 0.00 28.75 31.44 1y9r h GLU 796 CO -0.07 -0.60 0.36 -0.44 -1.40 0.00 0.00 179.01 176.87 1y9r h ASP 797 N -1.09 0.56 0.14 1.42 5.19 -1.67 -2.36 116.42 118.62 1y9r h ASP 797 Ca -0.10 0.02 0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1y9r h ASP 797 Cb 0.76 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.13 1y9r h ASP 797 CO 0.16 0.38 -0.49 1.56 -3.12 0.00 0.00 179.24 177.73 1y9r h GLN 798 N 0.69 -0.71 -0.83 3.56 4.20 -1.51 -1.90 115.11 118.61 1y9r h GLN 798 Ca 0.26 0.05 0.02 0.00 0.06 0.00 0.00 58.65 59.04 1y9r h GLN 798 Cb 0.10 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 1y9r h GLN 798 CO -0.14 -0.47 0.55 0.82 -0.67 0.00 0.00 178.83 178.91 1y9r h ILE 799 N -0.74 1.18 0.36 2.54 2.04 -1.38 -2.30 117.51 119.22 1y9r h ILE 799 Ca 0.00 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 1y9r h ILE 799 Cb 0.74 -0.01 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1y9r h ILE 799 CO -0.26 0.20 -0.46 0.74 0.00 0.00 0.00 178.15 178.36 1y9r h THR 800 N 1.09 0.00 -0.94 -0.27 2.02 -1.11 -1.41 112.91 112.30 1y9r h THR 800 Ca 0.32 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.73 1y9r h THR 800 Cb -0.07 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.21 1y9r h THR 800 CO -0.09 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 176.21 1y9r h LEU 801 N -0.85 0.47 -1.21 2.58 4.07 -1.15 0.34 115.31 119.55 1y9r h LEU 801 Ca -0.04 0.15 -0.05 0.00 0.08 0.00 0.00 57.88 58.02 1y9r h LEU 801 Cb 0.76 0.09 -0.02 0.00 1.08 0.00 0.00 40.66 42.58 1y9r h LEU 801 CO -0.11 0.04 0.04 0.40 -1.08 0.00 0.00 178.44 177.73 1y9r h ILE 802 N 0.47 1.20 0.04 1.22 1.08 -0.93 -2.03 117.51 118.56 1y9r h ILE 802 Ca 0.60 -0.75 -0.00 0.00 -0.39 0.00 0.00 64.86 64.32 1y9r h ILE 802 Cb 1.14 0.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.75 1y9r h ILE 802 CO -0.51 0.26 -0.02 1.56 -0.69 0.00 0.00 178.15 178.76 1y9r h GLN 803 N 0.57 -0.05 0.00 2.37 4.20 0.71 0.17 115.11 123.07 1y9r h GLN 803 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 1y9r h GLN 803 Cb 0.29 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1y9r h GLN 803 CO 0.00 0.51 0.00 1.88 -0.67 0.00 0.00 178.83 180.55 1y9r h TYR 804 N -0.65 0.00 0.00 2.96 0.05 -1.18 -3.11 116.97 115.04 1y9r h TYR 804 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1y9r h TYR 804 Cb 0.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 1y9r h TYR 804 CO 0.12 0.00 0.00 -1.13 -1.05 0.00 0.00 178.16 176.10 1y9r n SER 805 N -2.30 1.11 -0.18 3.88 3.41 -0.77 -4.80 113.62 113.97 1y9r n SER 805 Ca 0.00 -1.29 -0.02 0.00 -0.26 0.00 0.00 58.87 57.31 1y9r n SER 805 Cb 0.15 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.16 1y9r n SER 805 CO 0.00 0.00 0.00 4.11 -0.16 0.00 0.00 175.04 178.99 1y9r h TRP 806 N 0.00 -0.20 -0.89 7.33 5.08 -0.59 -1.94 115.95 124.74 1y9r h TRP 806 Ca 0.00 0.05 0.06 0.00 1.08 0.00 0.00 58.89 60.08 1y9r h TRP 806 Cb 0.27 0.17 -0.06 0.00 -3.00 0.00 0.00 29.16 26.54 1y9r h TRP 806 CO 0.00 -0.20 0.56 0.52 -1.28 0.00 0.00 178.44 178.04 1y9r h MET 807 N 0.04 0.98 0.22 0.12 2.86 -1.86 -2.08 114.93 115.21 1y9r h MET 807 Ca 0.27 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1y9r h MET 807 Cb 0.42 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 1y9r h MET 807 CO -0.53 0.65 -0.24 0.00 1.06 0.00 0.00 176.91 177.85 1y9r n LEU 809 N -5.37 0.00 -0.20 0.00 4.77 -0.83 0.23 117.00 115.61 1y9r n LEU 809 Ca -0.08 0.88 0.01 0.00 -0.03 0.00 0.00 56.01 56.79 1y9r n LEU 809 Cb 0.27 -0.38 0.11 0.00 -2.33 0.00 0.00 43.42 41.10 1y9r n LEU 809 CO 0.29 -0.38 0.92 -0.07 -1.33 0.00 0.00 177.39 176.81 1y9r h LEU 810 N 0.00 0.01 -0.39 2.23 3.38 -1.49 0.11 115.31 119.16 1y9r h LEU 810 Ca 0.00 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1y9r h LEU 810 Cb 0.00 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1y9r h LEU 810 CO 0.00 0.01 0.16 0.77 0.09 0.00 0.00 178.44 179.47 1y9r h SER 811 N 0.26 0.54 -0.82 -0.43 4.64 -1.03 0.19 113.55 116.90 1y9r h SER 811 Ca 0.32 -0.16 0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1y9r h SER 811 Cb 0.48 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.39 1y9r h SER 811 CO -0.41 0.55 0.53 0.15 -0.87 0.00 0.00 176.83 176.78 1y9r h PHE 812 N 0.49 1.03 -0.69 4.77 3.57 0.42 -2.15 116.94 124.38 1y9r h PHE 812 Ca 0.13 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1y9r h PHE 812 Cb 0.18 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.54 1y9r h PHE 812 CO -0.00 0.66 0.26 0.00 -2.23 0.00 0.00 178.31 177.00 1y9r h ALA 813 N 1.29 0.90 -0.67 2.41 0.00 -0.26 -2.55 119.26 120.38 1y9r h ALA 813 Ca 0.30 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1y9r h ALA 813 Cb -0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.34 1y9r h ALA 813 CO -0.06 0.53 0.34 1.25 0.00 0.00 0.00 179.25 181.31 1y9r h LEU 814 N 0.99 0.45 -0.51 0.00 5.85 -0.01 -1.74 115.31 120.34 1y9r h LEU 814 Ca 0.23 0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.06 1y9r h LEU 814 Cb 0.23 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 1y9r h LEU 814 CO -0.02 0.27 0.20 0.28 -0.34 0.00 0.00 178.44 178.84 1y9r h SER 815 N 0.60 0.24 -0.32 1.25 0.02 -1.05 0.47 113.55 114.75 1y9r h SER 815 Ca 0.32 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.31 1y9r h SER 815 Cb 0.30 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1y9r h SER 815 CO -0.24 0.16 0.14 -0.25 -1.14 0.00 0.00 176.83 175.50 1y9r h TRP 816 N 0.40 0.48 -0.37 3.45 2.91 -1.09 0.04 115.95 121.77 1y9r h TRP 816 Ca 0.24 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.21 1y9r h TRP 816 Cb 0.24 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 1y9r h TRP 816 CO -0.15 0.45 0.15 0.00 -1.03 0.00 0.00 178.44 177.86 1y9r h ARG 817 N 0.38 0.56 -1.00 2.65 3.08 -0.93 0.58 114.38 119.69 1y9r h ARG 817 Ca 0.11 -0.10 0.08 0.00 0.07 0.00 0.00 59.98 60.14 1y9r h ARG 817 Cb 0.16 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 1y9r h ARG 817 CO -0.01 0.54 0.64 0.77 -1.07 0.00 0.00 179.97 180.84 1y9r h SER 818 N 0.46 1.00 0.02 7.04 0.02 -0.73 -0.73 113.55 120.63 1y9r h SER 818 Ca 0.12 0.02 -0.25 0.00 -0.84 0.00 0.00 61.79 60.85 1y9r h SER 818 Cb 0.19 -0.19 0.02 0.00 0.14 0.00 0.00 62.40 62.56 1y9r h SER 818 CO -0.01 0.61 -0.99 0.22 -1.14 0.00 0.00 176.83 175.52 1y9r h TYR 819 N 1.11 0.95 -0.24 3.45 3.20 -0.40 0.15 116.97 125.19 1y9r h TYR 819 Ca 0.45 -0.53 -0.14 0.00 3.14 0.00 0.00 58.73 61.65 1y9r h TYR 819 Cb 0.26 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 1y9r h TYR 819 CO -0.00 1.37 -0.39 0.87 -1.64 0.00 0.00 178.16 178.37 1y9r h LYS 820 N 0.26 0.70 0.05 1.82 1.79 0.51 -2.79 116.57 118.90 1y9r h LYS 820 Ca -0.13 -0.42 -0.25 0.00 -2.18 0.00 0.00 60.65 57.67 1y9r h LYS 820 Cb 1.66 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 32.33 1y9r h LYS 820 CO 0.19 1.04 -1.33 0.45 -1.08 0.00 0.00 179.45 178.73 1y9r h HIS 821 N 0.42 0.19 -0.48 -1.35 3.86 -1.29 -3.40 115.15 113.10 1y9r h HIS 821 Ca 0.02 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1y9r h HIS 821 Cb 0.98 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.45 1y9r h HIS 821 CO 0.08 1.52 0.00 0.25 0.86 0.00 0.00 177.93 180.64 1y9r n THR 822 N -4.16 0.77 -2.11 2.45 -2.24 -0.94 -4.92 114.28 103.14 1y9r n THR 822 Ca -0.29 -0.88 -0.18 0.00 -2.27 0.00 0.00 64.05 60.43 1y9r n THR 822 Cb 0.78 0.71 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 1y9r n THR 822 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1y9r n ASN 823 N 1.26 -5.29 0.00 3.42 5.15 -1.05 -0.93 115.26 117.82 1y9r n ASN 823 Ca 0.19 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 1y9r n ASN 823 Cb 0.55 -4.37 0.00 0.00 -0.53 0.00 0.00 39.78 35.43 1y9r n ASN 823 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1y9r n SER 824 N -1.34 0.00 -0.39 1.20 7.64 0.49 -4.89 113.62 116.33 1y9r n SER 824 Ca -0.21 0.00 0.31 0.00 1.01 0.00 0.00 58.87 59.99 1y9r n SER 824 Cb 0.65 -0.02 0.61 0.00 -1.01 0.00 0.00 64.21 64.43 1y9r n SER 824 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1y9r h GLN 825 N 2.03 0.19 -4.93 1.43 1.08 -1.23 -3.43 115.11 110.26 1y9r h GLN 825 Ca 0.00 -0.01 -0.49 0.00 -1.45 0.00 0.00 58.65 56.70 1y9r h GLN 825 Cb 0.00 -0.04 -0.13 0.00 -0.05 0.00 0.00 27.48 27.25 1y9r h GLN 825 CO 0.00 0.13 -0.49 -0.06 -0.95 0.00 0.00 178.83 177.45 1y9r s PHE 826 N -5.33 1.76 -0.49 2.96 0.08 -1.26 -5.01 117.98 110.69 1y9r s PHE 826 Ca -0.08 -1.60 -0.14 0.00 0.12 0.00 0.00 56.93 55.24 1y9r s PHE 826 Cb 0.27 -0.80 0.11 0.00 -0.57 0.00 0.00 43.02 42.02 1y9r s PHE 826 CO 0.81 -0.76 0.41 -0.51 -0.10 0.00 0.00 175.22 175.07 1y9r s LEU 827 N -3.42 5.82 -1.32 -0.37 1.43 -1.16 -4.60 118.68 115.05 1y9r s LEU 827 Ca 0.37 -1.64 -0.14 0.00 -1.03 0.00 0.00 54.13 51.69 1y9r s LEU 827 Cb 0.02 -2.14 0.11 0.00 0.03 0.00 0.00 46.19 44.21 1y9r s LEU 827 CO 0.25 -0.73 1.84 0.00 0.23 0.00 0.00 176.35 177.94 1y9r n TYR 828 N 5.14 3.98 0.01 0.29 4.19 -1.26 -2.15 117.16 127.36 1y9r n TYR 828 Ca -0.12 -2.98 -0.10 0.00 3.31 0.00 0.00 57.90 58.01 1y9r n TYR 828 Cb 0.42 -2.34 -0.04 0.00 0.49 0.00 0.00 39.34 37.86 1y9r n TYR 828 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1y9r h PHE 829 N 6.57 -0.17 -3.03 2.98 -1.00 -1.83 -3.40 116.94 117.05 1y9r h PHE 829 Ca 0.44 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 61.17 1y9r h PHE 829 Cb 0.74 0.09 -0.15 0.00 3.61 0.00 0.00 35.95 40.24 1y9r h PHE 829 CO 1.32 -0.11 -0.03 0.00 -1.61 0.00 0.00 178.31 177.88 1y9r s ALA 830 N -6.18 -1.14 0.48 2.45 0.00 -0.83 -4.98 121.76 111.56 1y9r s ALA 830 Ca -0.14 0.33 0.26 0.00 0.00 0.00 0.00 51.96 52.41 1y9r s ALA 830 Cb 0.09 0.49 1.32 0.00 0.00 0.00 0.00 23.12 25.02 1y9r s ALA 830 CO 0.67 -0.54 1.84 -1.35 0.00 0.00 0.00 175.76 176.38 1y9r h PRO 831 N 2.69 0.17 -0.58 0.00 0.11 -1.89 0.63 132.00 133.13 1y9r h PRO 831 Ca -0.32 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.69 1y9r h PRO 831 Cb 1.23 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.24 1y9r h PRO 831 CO 0.43 0.11 0.10 -0.40 -0.21 0.00 0.00 178.00 178.04 1y9r n ASP 832 N -4.39 5.00 -3.21 -2.05 3.85 -1.26 -4.79 116.55 109.70 1y9r n ASP 832 Ca 0.21 -3.10 -0.00 0.00 -0.71 0.00 0.00 54.79 51.19 1y9r n ASP 832 Cb 0.92 -0.69 -0.02 0.00 -1.35 0.00 0.00 41.12 39.99 1y9r n ASP 832 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.20 175.97 1y9r s LEU 833 N -2.89 -1.37 -0.04 -2.12 2.96 0.22 -4.73 118.68 110.70 1y9r s LEU 833 Ca 0.53 -0.37 0.06 0.00 -0.22 0.00 0.00 54.13 54.12 1y9r s LEU 833 Cb 0.42 1.78 -0.02 0.00 0.50 0.00 0.00 46.19 48.86 1y9r s LEU 833 CO 0.13 -0.26 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.02 1y9r s VAL 834 N 2.33 2.59 -0.15 1.68 1.01 -1.26 -1.97 120.40 124.64 1y9r s VAL 834 Ca 0.13 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 1y9r s VAL 834 Cb -0.09 -1.97 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 1y9r s VAL 834 CO -0.18 0.58 -0.04 -0.36 0.00 0.00 0.00 175.10 175.10 1y9r s PHE 835 N -0.65 3.01 0.38 5.22 0.40 -0.91 -4.96 117.98 120.48 1y9r s PHE 835 Ca 0.10 -0.31 0.08 0.00 -0.60 0.00 0.00 56.93 56.20 1y9r s PHE 835 Cb -0.11 -1.95 -0.06 0.00 0.51 0.00 0.00 43.02 41.42 1y9r s PHE 835 CO 0.00 -0.03 0.08 1.21 0.70 0.00 0.00 175.22 177.18 1y9r s ASN 836 N 0.33 4.25 0.00 1.36 3.04 -1.26 -3.01 114.94 119.64 1y9r s ASN 836 Ca -0.04 -1.08 0.00 0.00 0.04 0.00 0.00 52.86 51.78 1y9r s ASN 836 Cb -0.14 -0.50 0.00 0.00 -1.54 0.00 0.00 41.25 39.07 1y9r s ASN 836 CO 0.03 -0.40 0.55 -0.62 -3.04 0.00 0.00 177.10 173.62 1y9r n GLU 837 N -1.08 0.00 -0.06 0.43 1.02 -1.26 -0.16 120.64 119.53 1y9r n GLU 837 Ca -0.03 0.15 -0.21 0.00 -0.02 0.00 0.00 57.16 57.05 1y9r n GLU 837 Cb 0.64 -1.65 -0.13 0.00 -0.02 0.00 0.00 31.44 30.28 1y9r n GLU 837 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1y9r n GLU 838 N -1.05 0.70 -0.09 3.49 4.71 -1.26 -2.88 120.64 124.26 1y9r n GLU 838 Ca 0.00 0.25 -0.13 0.00 -0.01 0.00 0.00 57.16 57.27 1y9r n GLU 838 Cb 0.15 -1.64 -0.04 0.00 -1.01 0.00 0.00 31.44 28.90 1y9r n GLU 838 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1y9r h LYS 839 N -0.09 0.66 -0.70 3.49 1.79 -0.92 -0.03 116.57 120.76 1y9r h LYS 839 Ca -0.49 -0.34 -0.03 0.00 -2.18 0.00 0.00 60.65 57.61 1y9r h LYS 839 Cb 1.91 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 32.54 1y9r h LYS 839 CO -0.02 0.94 0.31 0.52 -1.08 0.00 0.00 179.45 180.12 1y9r h MET 840 N 0.40 1.03 0.56 3.15 2.86 -1.54 -1.44 114.93 119.95 1y9r h MET 840 Ca 0.05 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.50 1y9r h MET 840 Cb 0.81 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.28 1y9r h MET 840 CO 0.06 0.83 -0.37 1.25 1.06 0.00 0.00 176.91 179.74 1y9r h HIS 841 N 0.99 -1.00 -0.72 -0.22 6.17 -1.35 -1.88 115.15 117.14 1y9r h HIS 841 Ca 0.24 -0.01 -0.46 0.00 0.71 0.00 0.00 60.37 60.85 1y9r h HIS 841 Cb 0.16 0.36 -0.21 0.00 2.52 0.00 0.00 27.41 30.25 1y9r h HIS 841 CO 0.01 -0.55 0.59 0.94 0.71 0.00 0.00 177.93 179.64 1y9r n GLN 842 N -4.72 2.13 0.00 5.26 7.27 -0.05 -3.79 117.38 123.47 1y9r n GLN 842 Ca -0.11 -2.31 0.06 0.00 0.07 0.00 0.00 57.00 54.72 1y9r n GLN 842 Cb 0.37 -1.90 0.01 0.00 2.41 0.00 0.00 30.24 31.12 1y9r n GLN 842 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1y9r n SER 843 N -0.35 1.49 -0.49 1.69 3.41 -0.55 -3.83 113.62 114.99 1y9r n SER 843 Ca 0.45 -1.25 -0.06 0.00 -0.26 0.00 0.00 58.87 57.75 1y9r n SER 843 Cb 0.81 0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 65.14 1y9r n SER 843 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y9r n ALA 844 N -0.07 -0.10 0.09 7.33 0.00 -1.25 -4.65 120.51 121.85 1y9r n ALA 844 Ca 0.06 0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.61 1y9r n ALA 844 Cb 0.28 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.53 1y9r n ALA 844 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1y9r n MET 845 N -1.60 6.26 -1.47 0.00 2.81 -1.26 -5.01 117.12 116.85 1y9r n MET 845 Ca -0.06 -0.01 -0.48 0.00 -1.81 0.00 0.00 57.70 55.34 1y9r n MET 845 Cb 0.36 -0.59 -0.07 0.00 -0.71 0.00 0.00 33.22 32.21 1y9r n MET 845 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 1y9r n TYR 846 N -1.02 1.55 0.00 2.03 4.19 -0.71 -0.58 117.16 122.62 1y9r n TYR 846 Ca 0.00 0.23 0.00 0.00 3.31 0.00 0.00 57.90 61.44 1y9r n TYR 846 Cb 0.03 -2.55 0.00 0.00 0.49 0.00 0.00 39.34 37.31 1y9r n TYR 846 CO 0.00 0.00 0.00 0.39 0.91 0.00 0.00 176.86 178.16 1y9r n GLU 847 N 8.36 0.00 -0.07 2.98 -0.58 -1.26 -4.86 120.64 125.21 1y9r n GLU 847 Ca 0.41 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 57.06 1y9r n GLU 847 Cb 0.27 0.00 -0.15 0.00 -0.57 0.00 0.00 31.44 30.99 1y9r n GLU 847 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1y9r n LEU 848 N 0.00 0.32 -0.21 -4.62 4.32 0.26 -3.22 117.00 113.85 1y9r n LEU 848 Ca 0.00 0.15 -0.09 0.00 -0.02 0.00 0.00 56.01 56.05 1y9r n LEU 848 Cb 0.00 0.38 0.03 0.00 -1.62 0.00 0.00 43.42 42.21 1y9r n LEU 848 CO 0.00 0.46 0.82 0.00 -1.22 0.00 0.00 177.39 177.44 1y9r h GLN 850 N 0.97 0.25 -0.16 0.00 4.15 -1.85 -1.30 115.11 117.18 1y9r h GLN 850 Ca 0.17 -0.09 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 1y9r h GLN 850 Cb 0.58 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 1y9r h GLN 850 CO 0.03 0.52 -0.27 0.78 -1.93 0.00 0.00 178.83 177.97 1y9r h GLY 851 N 1.02 0.50 2.00 2.39 0.00 -1.42 -0.51 103.07 107.04 1y9r h GLY 851 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 1y9r h GLY 851 CO 0.04 0.51 -0.28 -0.33 0.00 0.00 0.00 176.54 176.49 1y9r h MET 852 N 0.08 0.00 -0.12 4.80 2.86 -1.22 -2.21 114.93 119.12 1y9r h MET 852 Ca 0.01 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 1y9r h MET 852 Cb 0.85 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.52 1y9r h MET 852 CO 0.06 0.28 -0.61 1.25 1.06 0.00 0.00 176.91 178.95 1y9r h HIS 853 N 0.00 0.84 -0.17 -0.22 6.17 -1.11 -2.95 115.15 117.71 1y9r h HIS 853 Ca -0.00 -0.37 0.05 0.00 0.71 0.00 0.00 60.37 60.75 1y9r h HIS 853 Cb 0.61 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 30.40 1y9r h HIS 853 CO 0.00 1.17 0.26 1.96 0.71 0.00 0.00 177.93 182.04 1y9r h GLN 854 N 0.27 0.00 0.16 5.26 1.08 -0.46 0.24 115.11 121.66 1y9r h GLN 854 Ca -0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1y9r h GLN 854 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1y9r h GLN 854 CO 0.13 0.00 -0.08 0.82 -0.95 0.00 0.00 178.83 178.75 1y9r h ILE 855 N 0.00 0.59 -0.92 2.54 1.08 -1.33 -2.90 117.51 116.58 1y9r h ILE 855 Ca 0.08 -1.13 0.20 0.00 -0.39 0.00 0.00 64.86 63.61 1y9r h ILE 855 Cb 0.61 1.04 -0.07 0.00 -3.07 0.00 0.00 36.82 35.32 1y9r h ILE 855 CO -0.00 0.17 0.60 0.77 -0.69 0.00 0.00 178.15 179.00 1y9r h SER 856 N -0.97 0.48 -0.56 1.72 4.64 -1.12 0.42 113.55 118.17 1y9r h SER 856 Ca -0.02 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 1y9r h SER 856 Cb 0.44 -0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 62.46 1y9r h SER 856 CO 0.04 0.19 0.31 -0.07 -0.87 0.00 0.00 176.83 176.42 1y9r h LEU 857 N 0.48 0.73 -0.79 5.97 3.38 -1.02 -1.17 115.31 122.90 1y9r h LEU 857 Ca 0.48 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.31 1y9r h LEU 857 Cb 1.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1y9r h LEU 857 CO -0.21 0.60 -0.40 1.56 0.09 0.00 0.00 178.44 180.09 1y9r h GLN 858 N 0.82 0.00 -0.10 1.13 4.20 0.03 -2.60 115.11 118.60 1y9r h GLN 858 Ca 0.21 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1y9r h GLN 858 Cb 0.05 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.83 1y9r h GLN 858 CO -0.03 0.40 -0.03 0.74 -0.67 0.00 0.00 178.83 179.23 1y9r h PHE 859 N 0.00 0.23 0.58 2.96 -1.00 -0.41 -2.16 116.94 117.15 1y9r h PHE 859 Ca -0.00 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.70 1y9r h PHE 859 Cb 0.98 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.49 1y9r h PHE 859 CO 0.00 0.53 -0.32 0.28 -1.61 0.00 0.00 178.31 177.19 1y9r h VAL 860 N -0.14 0.00 -0.83 -0.55 2.07 -1.32 1.00 116.25 116.49 1y9r h VAL 860 Ca 0.02 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.70 1y9r h VAL 860 Cb 0.46 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.08 1y9r h VAL 860 CO 0.01 0.00 -0.23 0.03 0.02 0.00 0.00 177.57 177.40 1y9r h ARG 861 N -0.83 -0.01 0.00 1.57 3.08 -1.54 1.08 114.38 117.73 1y9r h ARG 861 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1y9r h ARG 861 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1y9r h ARG 861 CO 0.10 -0.01 0.00 1.28 -1.07 0.00 0.00 179.97 180.28 1y9r n LEU 862 N -5.53 0.80 -3.58 3.04 4.77 -0.81 -4.94 117.00 110.74 1y9r n LEU 862 Ca 0.11 0.60 -0.26 0.00 -0.03 0.00 0.00 56.01 56.44 1y9r n LEU 862 Cb 0.42 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1y9r n LEU 862 CO -0.05 -0.28 -0.03 0.00 -1.33 0.00 0.00 177.39 175.70 1y9r n GLN 863 N -2.27 -1.34 -1.73 3.23 6.02 0.37 -4.86 117.38 116.80 1y9r n GLN 863 Ca 0.05 0.64 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 1y9r n GLN 863 Cb 0.38 -4.27 -0.00 0.00 1.02 0.00 0.00 30.24 27.37 1y9r n GLN 863 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1y9r n LEU 864 N -3.67 4.05 -4.92 1.08 7.94 -0.59 -5.01 117.00 115.88 1y9r n LEU 864 Ca -0.10 1.21 -0.32 0.00 -1.11 0.00 0.00 56.01 55.70 1y9r n LEU 864 Cb 0.59 -1.54 -0.04 0.00 0.53 0.00 0.00 43.42 42.96 1y9r n LEU 864 CO 0.64 -0.22 -0.15 0.42 -1.11 0.00 0.00 177.39 176.98 1y9r s THR 865 N -1.07 5.40 0.26 1.96 -4.23 -1.26 -4.98 115.64 111.72 1y9r s THR 865 Ca 0.55 -0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.71 1y9r s THR 865 Cb -0.53 -3.61 0.26 0.00 1.34 0.00 0.00 72.50 69.96 1y9r s THR 865 CO 0.62 0.18 1.68 0.15 -0.54 0.00 0.00 174.62 176.72 1y9r h PHE 866 N 3.25 0.34 -0.32 3.99 3.57 -1.99 0.15 116.94 125.93 1y9r h PHE 866 Ca -0.46 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.16 1y9r h PHE 866 Cb 1.17 -0.03 -0.08 0.00 2.79 0.00 0.00 35.95 39.80 1y9r h PHE 866 CO 0.62 -0.11 -0.30 0.93 -2.23 0.00 0.00 178.31 177.22 1y9r h GLU 867 N 0.28 -0.26 0.28 1.11 3.07 -1.98 -0.21 114.58 116.87 1y9r h GLU 867 Ca 0.47 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1y9r h GLU 867 Cb 0.84 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.79 1y9r h GLU 867 CO -0.55 -0.18 -0.29 0.93 -1.40 0.00 0.00 179.01 177.53 1y9r h GLU 868 N -0.27 -0.58 -0.53 2.33 5.08 -1.39 -2.82 114.58 116.40 1y9r h GLU 868 Ca 0.15 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.66 1y9r h GLU 868 Cb 0.52 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.81 1y9r h GLU 868 CO -0.48 -0.39 -0.03 -0.92 -1.00 0.00 0.00 179.01 176.20 1y9r h TYR 869 N -0.60 -0.09 -0.76 4.33 3.20 -0.85 0.12 116.97 122.32 1y9r h TYR 869 Ca -0.01 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.93 1y9r h TYR 869 Cb 0.56 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 1y9r h TYR 869 CO -0.19 -0.15 0.50 0.00 -1.64 0.00 0.00 178.16 176.68 1y9r h THR 870 N 0.09 1.14 0.09 1.81 1.03 -0.94 0.12 112.91 116.24 1y9r h THR 870 Ca 0.27 -0.33 -0.15 0.00 -0.01 0.00 0.00 66.41 66.19 1y9r h THR 870 Cb 0.41 0.10 0.02 0.00 -1.07 0.00 0.00 68.15 67.61 1y9r h THR 870 CO -0.47 0.17 -0.63 0.40 -0.01 0.00 0.00 175.52 174.99 1y9r h ILE 871 N 0.95 1.53 -0.90 0.00 1.08 -1.15 -3.04 117.51 116.00 1y9r h ILE 871 Ca 0.30 -2.38 0.10 0.00 -0.39 0.00 0.00 64.86 62.49 1y9r h ILE 871 Cb 0.01 3.08 -0.08 0.00 -3.07 0.00 0.00 36.82 36.76 1y9r h ILE 871 CO -0.08 0.67 0.54 0.24 -0.69 0.00 0.00 178.15 178.82 1y9r h MET 872 N -0.41 0.85 -0.10 2.37 2.86 -0.48 -0.70 114.93 119.33 1y9r h MET 872 Ca -0.10 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 1y9r h MET 872 Cb 1.45 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 1y9r h MET 872 CO 0.12 0.56 -0.10 -0.22 1.06 0.00 0.00 176.91 178.34 1y9r h LYS 873 N 0.88 0.14 -0.08 1.72 3.64 -0.79 -0.27 116.57 121.81 1y9r h LYS 873 Ca 0.44 -0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 59.58 1y9r h LYS 873 Cb 0.40 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1y9r h LYS 873 CO -0.25 0.25 -0.80 0.28 -2.27 0.00 0.00 179.45 176.66 1y9r h VAL 874 N 0.14 1.35 0.00 2.00 2.07 -1.05 -2.78 116.25 117.98 1y9r h VAL 874 Ca 0.03 -2.16 -0.03 0.00 0.82 0.00 0.00 66.70 65.35 1y9r h VAL 874 Cb 0.27 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1y9r h VAL 874 CO 0.02 0.66 -0.15 -0.07 0.02 0.00 0.00 177.57 178.04 1y9r h LEU 875 N 0.34 0.00 -0.17 2.57 3.38 0.00 -0.54 115.31 120.90 1y9r h LEU 875 Ca -0.05 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 1y9r h LEU 875 Cb 1.41 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.13 1y9r h LEU 875 CO 0.15 0.15 -0.92 -0.07 0.09 0.00 0.00 178.44 177.84 1y9r h LEU 876 N 0.00 0.02 -0.91 1.67 3.38 -1.05 -1.61 115.31 116.80 1y9r h LEU 876 Ca -0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1y9r h LEU 876 Cb 0.29 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1y9r h LEU 876 CO 0.02 0.93 -0.21 0.25 0.09 0.00 0.00 178.44 179.51 1y9r h LEU 877 N 0.00 0.55 -4.25 1.67 5.85 -1.06 -2.71 115.31 115.37 1y9r h LEU 877 Ca -0.01 -0.18 -0.67 0.00 0.84 0.00 0.00 57.88 57.85 1y9r h LEU 877 Cb 1.62 -0.15 -0.32 0.00 0.37 0.00 0.00 40.66 42.18 1y9r h LEU 877 CO 0.12 0.77 0.52 0.18 -0.34 0.00 0.00 178.44 179.69 1y9r n LEU 878 N -4.14 6.97 0.00 2.25 4.77 -0.29 -4.58 117.00 121.98 1y9r n LEU 878 Ca 0.00 -4.58 0.00 0.00 -0.03 0.00 0.00 56.01 51.40 1y9r n LEU 878 Cb 0.39 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1y9r n LEU 878 CO 0.42 1.71 -0.11 -0.24 -1.33 0.00 0.00 177.39 177.84 1y9r n SER 879 N -0.75 1.12 -3.76 -1.43 2.88 -0.63 -4.87 113.62 106.17 1y9r n SER 879 Ca 0.56 -0.35 -0.27 0.00 -1.33 0.00 0.00 58.87 57.47 1y9r n SER 879 Cb 0.60 0.92 -0.16 0.00 -0.75 0.00 0.00 64.21 64.82 1y9r n SER 879 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1y9r s THR 880 N -1.15 0.63 0.42 2.46 2.01 -1.26 0.36 115.64 119.10 1y9r s THR 880 Ca 0.00 -0.55 0.07 0.00 0.31 0.00 0.00 61.69 61.52 1y9r s THR 880 Cb 0.00 -1.06 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1y9r s THR 880 CO 0.00 -0.13 0.24 0.27 -0.69 0.00 0.00 174.62 174.30 1y9r s ILE 881 N 1.82 2.37 0.30 1.82 -4.36 -0.66 -4.65 121.20 117.84 1y9r s ILE 881 Ca -0.01 -1.60 -0.29 0.00 -0.26 0.00 0.00 60.65 58.49 1y9r s ILE 881 Cb -0.17 -2.97 -0.10 0.00 1.25 0.00 0.00 42.46 40.47 1y9r s ILE 881 CO -0.08 0.00 1.32 -2.84 0.24 0.00 0.00 174.94 173.58 1y9r s PRO 882 N -3.97 4.36 0.42 0.37 0.02 -1.26 -1.18 135.00 133.76 1y9r s PRO 882 Ca 0.43 2.20 0.25 0.00 0.02 0.00 0.00 61.00 63.89 1y9r s PRO 882 Cb 0.02 -3.10 1.29 0.00 0.02 0.00 0.00 34.50 32.73 1y9r s PRO 882 CO 0.24 -0.21 1.69 1.57 -0.33 0.00 0.00 177.00 179.96 1y9r h LYS 883 N 3.88 0.21 -0.22 5.54 2.10 -0.74 0.84 116.57 128.18 1y9r h LYS 883 Ca -0.48 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1y9r h LYS 883 Cb 1.22 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1y9r h LYS 883 CO 0.69 0.14 0.00 -0.25 -2.00 0.00 0.00 179.45 178.02 1y9r n ASP 884 N -4.65 2.00 0.00 7.07 8.00 -1.26 -4.97 116.55 122.73 1y9r n ASP 884 Ca 0.32 -1.78 0.00 0.00 0.71 0.00 0.00 54.79 54.04 1y9r n ASP 884 Cb 1.19 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 1y9r n ASP 884 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1y9r n GLY 885 N 1.19 -1.67 3.30 0.44 0.00 0.29 -5.04 105.19 103.71 1y9r n GLY 885 Ca 0.16 -2.06 -0.18 0.00 0.00 0.00 0.00 46.02 43.95 1y9r n GLY 885 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1y9r s LEU 886 N 0.00 2.51 0.09 0.99 1.43 -1.26 -4.45 118.68 117.98 1y9r s LEU 886 Ca 0.00 -0.96 -0.32 0.00 -1.03 0.00 0.00 54.13 51.82 1y9r s LEU 886 Cb 0.00 -0.60 -0.16 0.00 0.03 0.00 0.00 46.19 45.47 1y9r s LEU 886 CO 0.00 -0.18 1.61 0.11 0.23 0.00 0.00 176.35 178.12 1y9r h LYS 887 N 2.86 -0.81 -1.31 1.70 1.57 -2.01 -1.78 116.57 116.80 1y9r h LYS 887 Ca -0.38 0.05 -0.30 0.00 -1.87 0.00 0.00 60.65 58.15 1y9r h LYS 887 Cb 1.21 0.18 -0.15 0.00 0.08 0.00 0.00 32.23 33.56 1y9r h LYS 887 CO 0.59 -0.54 0.39 0.43 -0.57 0.00 0.00 179.45 179.75 1y9r n SER 888 N -5.49 5.25 -0.07 0.86 7.64 -1.26 -4.61 113.62 115.95 1y9r n SER 888 Ca -0.11 -2.97 -0.07 0.00 1.01 0.00 0.00 58.87 56.73 1y9r n SER 888 Cb 0.38 -0.90 -0.01 0.00 -1.01 0.00 0.00 64.21 62.68 1y9r n SER 888 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1y9r h GLN 889 N 1.09 -0.14 -0.38 1.43 5.75 -1.71 0.34 115.11 121.49 1y9r h GLN 889 Ca 0.30 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.87 1y9r h GLN 889 Cb 1.31 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 29.85 1y9r h GLN 889 CO 0.69 -0.10 0.10 0.00 -2.65 0.00 0.00 178.83 176.87 1y9r h ALA 890 N 1.04 0.43 -0.34 3.38 0.00 -1.84 -0.19 119.26 121.74 1y9r h ALA 890 Ca 0.16 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1y9r h ALA 890 Cb 0.39 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1y9r h ALA 890 CO -0.39 -0.30 -0.00 0.00 0.00 0.00 0.00 179.25 178.56 1y9r h ALA 891 N 1.27 1.37 -0.01 0.00 0.00 -1.76 -3.04 119.26 117.09 1y9r h ALA 891 Ca 0.18 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1y9r h ALA 891 Cb 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1y9r h ALA 891 CO -0.21 0.44 0.01 0.35 0.00 0.00 0.00 179.25 179.83 1y9r h PHE 892 N 0.50 0.02 -0.39 0.00 3.57 0.13 -2.40 116.94 118.38 1y9r h PHE 892 Ca 0.11 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 1y9r h PHE 892 Cb 0.33 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1y9r h PHE 892 CO 0.01 0.06 0.11 1.49 -2.23 0.00 0.00 178.31 177.75 1y9r h GLU 893 N -0.03 0.61 -0.39 1.11 4.57 -1.07 -1.29 114.58 118.09 1y9r h GLU 893 Ca 0.00 -0.14 0.05 0.00 -1.18 0.00 0.00 59.36 58.09 1y9r h GLU 893 Cb 0.05 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.51 1y9r h GLU 893 CO -0.00 0.62 0.14 0.93 -1.18 0.00 0.00 179.01 179.52 1y9r h GLU 894 N 0.48 0.29 0.11 1.92 4.39 -1.54 0.86 114.58 121.09 1y9r h GLU 894 Ca 0.12 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1y9r h GLU 894 Cb 0.28 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1y9r h GLU 894 CO -0.00 0.19 -0.28 1.98 -1.16 0.00 0.00 179.01 179.74 1y9r h MET 895 N 0.29 -0.42 -0.29 2.33 1.85 -1.15 -0.01 114.93 117.53 1y9r h MET 895 Ca 0.18 0.03 0.07 0.00 -0.61 0.00 0.00 59.70 59.36 1y9r h MET 895 Cb 0.16 0.09 -0.08 0.00 0.43 0.00 0.00 31.60 32.20 1y9r h MET 895 CO -0.18 -0.28 -0.31 -0.09 -0.40 0.00 0.00 176.91 175.65 1y9r h ARG 896 N -0.43 -0.28 -0.93 0.39 2.43 -0.97 0.13 114.38 114.72 1y9r h ARG 896 Ca -0.01 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 59.36 1y9r h ARG 896 Cb 0.42 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.93 1y9r h ARG 896 CO -0.12 -0.19 0.51 0.00 -1.51 0.00 0.00 179.97 178.66 1y9r h THR 897 N -0.29 0.68 -0.49 0.20 1.03 -0.66 0.38 112.91 113.75 1y9r h THR 897 Ca 0.14 -0.22 0.06 0.00 -0.01 0.00 0.00 66.41 66.38 1y9r h THR 897 Cb 0.52 -0.03 -0.05 0.00 -1.07 0.00 0.00 68.15 67.52 1y9r h THR 897 CO -0.46 0.12 0.20 0.78 -0.01 0.00 0.00 175.52 176.16 1y9r h ASN 898 N 0.65 0.25 0.17 0.00 2.35 0.12 0.21 115.58 119.34 1y9r h ASN 898 Ca 0.53 0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 56.29 1y9r h ASN 898 Cb 0.84 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 1y9r h ASN 898 CO -0.40 0.18 -0.19 1.88 -1.65 0.00 0.00 177.43 177.25 1y9r h TYR 899 N 0.40 0.04 0.79 1.19 0.05 0.64 0.27 116.97 120.35 1y9r h TYR 899 Ca 0.23 -0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.96 1y9r h TYR 899 Cb 0.20 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 37.93 1y9r h TYR 899 CO -0.14 0.22 -0.38 0.82 -1.05 0.00 0.00 178.16 177.64 1y9r h ILE 900 N 0.04 0.00 -0.98 -2.88 2.04 0.16 0.67 117.51 116.55 1y9r h ILE 900 Ca 0.01 -0.11 0.29 0.00 1.00 0.00 0.00 64.86 66.04 1y9r h ILE 900 Cb 0.35 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.29 1y9r h ILE 900 CO 0.02 0.00 0.53 0.11 0.00 0.00 0.00 178.15 178.82 1y9r h LYS 901 N -1.17 0.37 -0.29 2.37 6.56 0.14 0.16 116.57 124.71 1y9r h LYS 901 Ca -0.11 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.43 1y9r h LYS 901 Cb 0.81 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 32.38 1y9r h LYS 901 CO 0.18 0.25 0.07 1.49 -2.06 0.00 0.00 179.45 179.37 1y9r h GLU 902 N 0.38 0.47 -0.70 3.15 4.57 -0.03 0.26 114.58 122.68 1y9r h GLU 902 Ca 0.68 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.74 1y9r h GLU 902 Cb 1.47 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.96 1y9r h GLU 902 CO -0.57 0.55 0.40 1.25 -1.18 0.00 0.00 179.01 179.45 1y9r h LEU 903 N 0.30 0.87 -1.14 1.64 5.85 0.16 0.37 115.31 123.36 1y9r h LEU 903 Ca 0.09 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1y9r h LEU 903 Cb 0.30 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1y9r h LEU 903 CO 0.00 0.70 -0.27 -0.09 -0.34 0.00 0.00 178.44 178.44 1y9r h ARG 904 N 0.96 0.26 -0.36 1.25 2.43 -0.94 0.39 114.38 118.37 1y9r h ARG 904 Ca 0.25 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1y9r h ARG 904 Cb 0.02 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1y9r h ARG 904 CO -0.04 0.52 0.18 -0.22 -1.51 0.00 0.00 179.97 178.90 1y9r h LYS 905 N 0.24 0.51 -0.33 0.20 1.63 0.86 -2.38 116.57 117.30 1y9r h LYS 905 Ca 0.04 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1y9r h LYS 905 Cb 0.61 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 1y9r h LYS 905 CO 0.04 0.45 0.19 1.98 -3.45 0.00 0.00 179.45 178.66 1y9r h MET 906 N 0.45 0.45 0.00 1.90 4.05 0.55 -1.82 114.93 120.51 1y9r h MET 906 Ca 0.13 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.50 1y9r h MET 906 Cb 0.10 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 1y9r h MET 906 CO -0.02 0.36 0.40 0.28 0.23 0.00 0.00 176.91 178.17 1y9r h VAL 907 N 0.41 0.00 -1.15 -5.77 2.07 0.27 -3.50 116.25 108.59 1y9r h VAL 907 Ca 0.12 0.00 -0.49 0.00 0.82 0.00 0.00 66.70 67.15 1y9r h VAL 907 Cb 0.03 0.57 -0.08 0.00 -1.52 0.00 0.00 31.29 30.30 1y9r h VAL 907 CO -0.02 0.00 1.20 -0.89 0.02 0.00 0.00 177.57 177.88 1y9r s THR 908 N -4.04 3.72 0.00 2.57 2.01 -0.69 -4.92 115.64 114.28 1y9r s THR 908 Ca -0.03 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.50 1y9r s THR 908 Cb 0.07 -4.65 0.00 0.00 0.01 0.00 0.00 72.50 67.94 1y9r s THR 908 CO 0.24 -1.56 0.00 -1.20 -0.69 0.00 0.00 174.62 171.41 1y9r n SER 917 N 10.78 0.00 0.27 3.53 7.64 -1.26 -5.15 113.62 129.43 1y9r n SER 917 Ca 0.32 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.34 1y9r n SER 917 Cb 0.50 0.24 0.71 0.00 -1.01 0.00 0.00 64.21 64.65 1y9r n SER 917 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1y9r h TRP 918 N 0.00 0.00 -0.13 1.43 6.55 -1.99 -1.93 115.95 119.88 1y9r h TRP 918 Ca 0.00 0.00 -0.10 0.00 0.95 0.00 0.00 58.89 59.74 1y9r h TRP 918 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.30 1y9r h TRP 918 CO 0.00 0.11 -0.31 0.37 -1.05 0.00 0.00 178.44 177.55 1y9r h GLN 919 N 0.00 0.45 0.56 0.49 4.15 -2.00 -1.78 115.11 116.98 1y9r h GLN 919 Ca -0.00 -0.30 -0.02 0.00 0.77 0.00 0.00 58.65 59.09 1y9r h GLN 919 Cb 0.43 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1y9r h GLN 919 CO 0.01 0.92 -0.37 -0.09 -1.93 0.00 0.00 178.83 177.37 1y9r h ARG 920 N 0.05 -0.86 -0.49 1.69 9.65 -1.82 0.22 114.38 122.82 1y9r h ARG 920 Ca -0.00 0.06 0.05 0.00 -1.10 0.00 0.00 59.98 58.99 1y9r h ARG 920 Cb 0.92 0.20 -0.07 0.00 -1.39 0.00 0.00 29.97 29.62 1y9r h ARG 920 CO 0.07 -0.57 -0.40 0.35 2.80 0.00 0.00 179.97 182.22 1y9r h PHE 921 N -0.89 -1.24 -0.82 2.20 3.57 -1.42 -0.69 116.94 117.65 1y9r h PHE 921 Ca -0.06 0.07 0.14 0.00 3.53 0.00 0.00 57.97 61.65 1y9r h PHE 921 Cb 0.74 0.61 -0.15 0.00 2.79 0.00 0.00 35.95 39.94 1y9r h PHE 921 CO -0.12 -0.30 -0.32 -0.92 -2.23 0.00 0.00 178.31 174.42 1y9r h TYR 922 N -0.13 -0.84 -0.40 0.41 3.20 -0.73 0.89 116.97 119.37 1y9r h TYR 922 Ca 0.08 0.09 0.05 0.00 3.14 0.00 0.00 58.73 62.09 1y9r h TYR 922 Cb 0.34 0.49 -0.05 0.00 1.54 0.00 0.00 36.73 39.06 1y9r h TYR 922 CO -0.85 -0.39 0.12 1.96 -1.64 0.00 0.00 178.16 177.36 1y9r h GLN 923 N -0.05 0.26 -0.30 1.82 4.20 0.76 0.85 115.11 122.64 1y9r h GLN 923 Ca 0.33 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1y9r h GLN 923 Cb 0.59 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1y9r h GLN 923 CO -0.85 0.17 0.14 -0.07 -0.67 0.00 0.00 178.83 177.55 1y9r h LEU 924 N 0.26 0.39 -1.11 1.46 3.38 0.36 0.09 115.31 120.15 1y9r h LEU 924 Ca 0.19 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 1y9r h LEU 924 Cb 0.19 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1y9r h LEU 924 CO -0.21 0.41 -0.38 0.71 0.09 0.00 0.00 178.44 179.06 1y9r h THR 925 N 0.35 1.01 -0.01 0.22 1.35 -0.63 -2.03 112.91 113.17 1y9r h THR 925 Ca 0.10 -1.43 -0.18 0.00 -0.55 0.00 0.00 66.41 64.36 1y9r h THR 925 Cb 0.12 1.83 -0.02 0.00 -1.73 0.00 0.00 68.15 68.35 1y9r h THR 925 CO -0.01 0.37 -0.80 0.50 -0.25 0.00 0.00 175.52 175.33 1y9r h LYS 926 N 0.00 0.12 0.10 4.72 3.11 -0.55 -1.81 116.57 122.25 1y9r h LYS 926 Ca -0.00 -0.12 -0.00 0.00 -2.81 0.00 0.00 60.65 57.71 1y9r h LYS 926 Cb 0.80 0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.06 1y9r h LYS 926 CO 0.05 0.85 -0.05 1.25 -2.81 0.00 0.00 179.45 178.74 1y9r h LEU 927 N 0.07 -0.11 -1.00 5.20 6.46 -0.45 -1.16 115.31 124.33 1y9r h LEU 927 Ca -0.02 -0.20 0.04 0.00 -0.12 0.00 0.00 57.88 57.58 1y9r h LEU 927 Cb 1.39 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 41.29 1y9r h LEU 927 CO 0.11 0.14 0.65 -0.07 -0.62 0.00 0.00 178.44 178.66 1y9r h LEU 928 N -0.36 1.08 0.47 2.25 3.38 -1.35 -1.58 115.31 119.20 1y9r h LEU 928 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1y9r h LEU 928 Cb 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1y9r h LEU 928 CO 0.02 0.74 -0.25 0.44 0.09 0.00 0.00 178.44 179.47 1y9r h ASP 929 N 1.25 -0.62 -0.98 -0.43 5.19 -1.13 -2.02 116.42 117.69 1y9r h ASP 929 Ca 0.40 0.03 0.24 0.00 -0.62 0.00 0.00 57.03 57.08 1y9r h ASP 929 Cb 0.01 0.17 -0.08 0.00 0.18 0.00 0.00 39.33 39.62 1y9r h ASP 929 CO -0.13 -0.42 0.64 0.77 -3.12 0.00 0.00 179.24 176.99 1y9r h SER 930 N -0.67 0.40 -0.97 6.45 4.64 -0.73 0.14 113.55 122.81 1y9r h SER 930 Ca -0.06 0.06 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 1y9r h SER 930 Cb 0.53 -0.01 -0.09 0.00 -0.31 0.00 0.00 62.40 62.52 1y9r h SER 930 CO 0.08 0.12 0.61 -0.03 -0.87 0.00 0.00 176.83 176.75 1y9r h MET 931 N 0.38 0.68 -0.38 4.77 1.85 -0.53 0.47 114.93 122.17 1y9r h MET 931 Ca 0.53 -0.04 0.05 0.00 -0.61 0.00 0.00 59.70 59.63 1y9r h MET 931 Cb 1.37 -0.15 -0.02 0.00 0.43 0.00 0.00 31.60 33.22 1y9r h MET 931 CO -0.21 0.45 0.26 0.45 -0.40 0.00 0.00 176.91 177.46 1y9r h HIS 932 N 0.71 0.29 -0.17 1.39 3.86 -0.69 -0.18 115.15 120.35 1y9r h HIS 932 Ca 0.53 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.69 1y9r h HIS 932 Cb 0.89 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 29.26 1y9r h HIS 932 CO -0.00 0.16 -0.11 -0.44 0.86 0.00 0.00 177.93 178.40 1y9r h ASP 933 N 0.30 0.39 0.03 2.45 3.45 -0.15 -2.93 116.42 119.95 1y9r h ASP 933 Ca 0.17 -0.43 -0.00 0.00 0.43 0.00 0.00 57.03 57.19 1y9r h ASP 933 Cb 0.28 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1y9r h ASP 933 CO -0.03 0.74 -0.02 0.25 -1.57 0.00 0.00 179.24 178.61 1y9r h LEU 934 N 0.05 -0.04 -0.98 1.55 5.85 -1.06 -3.17 115.31 117.52 1y9r h LEU 934 Ca 0.04 -0.32 0.16 0.00 0.84 0.00 0.00 57.88 58.60 1y9r h LEU 934 Cb 0.60 0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.54 1y9r h LEU 934 CO 0.03 0.30 0.59 0.58 -0.34 0.00 0.00 178.44 179.59 1y9r h VAL 935 N -0.38 0.77 -0.49 1.05 2.07 -1.13 0.26 116.25 118.41 1y9r h VAL 935 Ca -0.00 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1y9r h VAL 935 Cb 0.35 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 1y9r h VAL 935 CO 0.01 0.15 0.12 0.28 0.02 0.00 0.00 177.57 178.14 1y9r h SER 936 N 0.80 0.68 -0.14 0.57 0.02 -1.55 -0.03 113.55 113.90 1y9r h SER 936 Ca 0.54 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.36 1y9r h SER 936 Cb 0.74 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 1y9r h SER 936 CO -0.35 0.68 0.03 0.44 -1.14 0.00 0.00 176.83 176.49 1y9r h ASP 937 N 0.71 0.22 -0.50 3.07 5.19 -0.54 -2.21 116.42 122.37 1y9r h ASP 937 Ca 0.16 -0.25 -0.03 0.00 -0.62 0.00 0.00 57.03 56.30 1y9r h ASP 937 Cb 0.27 -0.06 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 1y9r h ASP 937 CO -0.00 0.41 0.23 -0.07 -3.12 0.00 0.00 179.24 176.69 1y9r h LEU 938 N 0.02 0.70 -0.23 1.55 3.38 -0.71 -3.13 115.31 116.89 1y9r h LEU 938 Ca 0.04 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1y9r h LEU 938 Cb 0.28 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 1y9r h LEU 938 CO 0.00 0.62 -0.20 -0.07 0.09 0.00 0.00 178.44 178.89 1y9r h LEU 939 N 0.77 0.58 -1.42 1.67 3.38 -0.87 -1.41 115.31 118.01 1y9r h LEU 939 Ca 0.19 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 1y9r h LEU 939 Cb 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1y9r h LEU 939 CO -0.02 0.92 0.12 -0.08 0.09 0.00 0.00 178.44 179.46 1y9r h GLU 940 N 0.25 0.50 -0.08 1.13 4.81 -1.37 0.17 114.58 120.00 1y9r h GLU 940 Ca 0.04 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1y9r h GLU 940 Cb 0.74 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1y9r h GLU 940 CO 0.05 0.44 -0.14 0.35 -0.73 0.00 0.00 179.01 178.98 1y9r h PHE 941 N 0.50 0.29 -0.79 0.92 3.57 -1.50 -2.09 116.94 117.84 1y9r h PHE 941 Ca 0.12 -0.10 0.07 0.00 3.53 0.00 0.00 57.97 61.59 1y9r h PHE 941 Cb 0.14 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.77 1y9r h PHE 941 CO 0.01 0.74 0.47 0.00 -2.23 0.00 0.00 178.31 177.29 1y9r h PHE 943 N 0.83 0.58 0.00 0.00 3.57 -0.62 -1.31 116.94 119.99 1y9r h PHE 943 Ca 0.36 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.79 1y9r h PHE 943 Cb 0.24 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1y9r h PHE 943 CO -0.05 0.60 0.00 -0.92 -2.23 0.00 0.00 178.31 175.70 1y9r h TYR 944 N 0.40 0.00 0.00 0.41 5.03 -1.08 -0.49 116.97 121.24 1y9r h TYR 944 Ca 0.11 0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.39 1y9r h TYR 944 Cb 0.31 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.59 1y9r h TYR 944 CO 0.02 0.00 -0.34 1.79 -1.32 0.00 0.00 178.16 178.31 1y9r h THR 945 N 0.00 0.19 0.13 1.81 1.35 -1.10 -2.55 112.91 112.73 1y9r h THR 945 Ca 0.00 -1.28 -0.01 0.00 -0.55 0.00 0.00 66.41 64.57 1y9r h THR 945 Cb 0.67 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 1y9r h THR 945 CO 0.00 0.11 -0.06 0.15 -0.25 0.00 0.00 175.52 175.47 1y9r h PHE 946 N 0.00 -0.16 -1.03 4.73 3.57 -0.33 -2.88 116.94 120.85 1y9r h PHE 946 Ca -0.01 -0.00 0.28 0.00 3.53 0.00 0.00 57.97 61.76 1y9r h PHE 946 Cb 1.10 0.05 -0.07 0.00 2.79 0.00 0.00 35.95 39.83 1y9r h PHE 946 CO 0.00 -0.10 0.70 -0.09 -2.23 0.00 0.00 178.31 176.59 1y9r h ARG 947 N -0.47 0.22 -1.43 1.11 2.43 -1.24 -0.09 114.38 114.90 1y9r h ARG 947 Ca -0.02 -0.01 -0.67 0.00 -0.81 0.00 0.00 59.98 58.47 1y9r h ARG 947 Cb 0.13 -0.05 -0.33 0.00 -0.42 0.00 0.00 29.97 29.30 1y9r h ARG 947 CO 0.03 0.14 0.34 0.39 -1.51 0.00 0.00 179.97 179.36 1y9r n GLU 948 N -4.43 3.02 0.00 0.20 -0.58 -0.96 -4.91 120.64 112.97 1y9r n GLU 948 Ca 0.23 -3.77 0.00 0.00 -0.42 0.00 0.00 57.16 53.20 1y9r n GLU 948 Cb 0.96 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1y9r n GLU 948 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1y9r n SER 949 N -0.66 0.00 -0.27 1.62 7.64 -0.05 -2.74 113.62 119.17 1y9r n SER 949 Ca 0.52 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.51 1y9r n SER 949 Cb 0.55 0.00 0.22 0.00 -1.01 0.00 0.00 64.21 63.98 1y9r n SER 949 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y9r n HIS 950 N 0.00 0.49 0.05 1.43 1.44 -1.26 0.27 115.22 117.63 1y9r n HIS 950 Ca 0.00 0.94 0.04 0.00 -2.01 0.00 0.00 57.72 56.69 1y9r n HIS 950 Cb 0.00 -1.08 0.45 0.00 0.12 0.00 0.00 29.99 29.48 1y9r n HIS 950 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1y9r h ALA 951 N 1.56 1.73 -0.01 1.59 0.00 -1.95 -1.71 119.26 120.47 1y9r h ALA 951 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1y9r h ALA 951 Cb 0.96 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1y9r h ALA 951 CO -0.74 0.24 -0.73 1.28 0.00 0.00 0.00 179.25 179.30 1y9r n LEU 952 N -4.47 1.38 -3.37 0.00 4.77 0.14 -4.97 117.00 110.48 1y9r n LEU 952 Ca 0.02 -0.56 -0.22 0.00 -0.03 0.00 0.00 56.01 55.22 1y9r n LEU 952 Cb 0.08 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1y9r n LEU 952 CO 0.35 0.29 0.22 0.29 -1.33 0.00 0.00 177.39 177.22 1y9r n LYS 953 N -0.88 -7.36 -3.95 3.23 5.02 0.23 -4.73 118.16 109.72 1y9r n LYS 953 Ca 0.07 0.77 -0.34 0.00 -2.02 0.00 0.00 58.31 56.79 1y9r n LYS 953 Cb 0.39 -5.65 -0.14 0.00 -0.02 0.00 0.00 35.03 29.61 1y9r n LYS 953 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y9r s VAL 954 N -3.30 2.71 0.44 -0.18 1.01 -1.20 -4.76 120.40 115.11 1y9r s VAL 954 Ca 0.51 -1.68 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1y9r s VAL 954 Cb -0.23 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.47 1y9r s VAL 954 CO 0.68 -0.24 0.69 -0.70 0.00 0.00 0.00 175.10 175.53 1y9r s GLU 955 N 1.15 3.31 0.09 2.72 2.12 -1.26 -4.62 118.70 122.20 1y9r s GLU 955 Ca -0.02 -0.20 0.06 0.00 0.36 0.00 0.00 54.97 55.17 1y9r s GLU 955 Cb -0.20 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.65 1y9r s GLU 955 CO -0.04 -0.17 -0.16 -0.06 -0.54 0.00 0.00 175.26 174.30 1y9r s PHE 956 N -2.58 1.39 0.00 5.30 0.40 -1.26 -4.49 117.98 116.74 1y9r s PHE 956 Ca 0.46 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.32 1y9r s PHE 956 Cb -0.10 -0.76 0.00 0.00 0.51 0.00 0.00 43.02 42.67 1y9r s PHE 956 CO 0.40 0.11 0.00 -2.30 0.70 0.00 0.00 175.22 174.13 1y9r n PRO 957 N 1.10 0.00 0.00 0.24 -0.02 -1.26 -4.91 135.00 130.14 1y9r n PRO 957 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.28 1y9r n PRO 957 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 1y9r n PRO 957 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y9r n ALA 958 N -3.00 1.69 -0.14 3.55 0.00 -1.26 -4.52 120.51 116.82 1y9r n ALA 958 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1y9r n ALA 958 Cb 0.00 0.16 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 1y9r n ALA 958 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1y9r h MET 959 N 0.00 0.61 0.00 0.00 1.85 -1.94 -1.84 114.93 113.61 1y9r h MET 959 Ca 0.00 -0.11 -0.04 0.00 -0.61 0.00 0.00 59.70 58.93 1y9r h MET 959 Cb 0.44 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.37 1y9r h MET 959 CO 0.00 0.57 -0.21 1.25 -0.40 0.00 0.00 176.91 178.12 1y9r h LEU 960 N 0.51 0.00 0.59 3.39 5.85 -1.92 -3.20 115.31 120.54 1y9r h LEU 960 Ca 0.14 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1y9r h LEU 960 Cb 0.19 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.23 1y9r h LEU 960 CO -0.01 0.21 -0.29 0.58 -0.34 0.00 0.00 178.44 178.60 1y9r h VAL 961 N 0.00 0.31 0.00 1.05 2.07 -1.60 -2.00 116.25 116.08 1y9r h VAL 961 Ca -0.00 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1y9r h VAL 961 Cb 0.84 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1y9r h VAL 961 CO 0.03 0.03 0.00 -0.62 0.02 0.00 0.00 177.57 177.03 1y9r n GLU 962 N -5.36 0.05 -0.05 1.57 4.71 -0.80 -1.90 120.64 118.86 1y9r n GLU 962 Ca -0.12 0.46 -0.21 0.00 -0.01 0.00 0.00 57.16 57.28 1y9r n GLU 962 Cb 0.35 -1.62 -0.13 0.00 -1.01 0.00 0.00 31.44 29.03 1y9r n GLU 962 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 177.13 176.33 1y9r n ILE 963 N -1.71 1.66 0.05 -3.67 5.41 -1.11 -3.99 119.36 115.99 1y9r n ILE 963 Ca 0.01 -0.57 -0.19 0.00 1.00 0.00 0.00 62.75 63.00 1y9r n ILE 963 Cb 0.07 -1.67 -0.10 0.00 -0.71 0.00 0.00 39.64 37.24 1y9r n ILE 963 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1y9r h ILE 964 N -0.09 1.30 0.00 1.39 2.04 -1.19 0.43 117.51 121.39 1y9r h ILE 964 Ca -0.48 -2.29 0.00 0.00 1.00 0.00 0.00 64.86 63.09 1y9r h ILE 964 Cb 1.91 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 40.40 1y9r h ILE 964 CO -0.02 0.71 0.00 -1.54 0.00 0.00 0.00 178.15 177.30 1y9r n SER 965 N -3.83 0.06 -0.11 1.72 3.41 -0.80 -1.89 113.62 112.19 1y9r n SER 965 Ca -0.10 0.52 -0.17 0.00 -0.26 0.00 0.00 58.87 58.85 1y9r n SER 965 Cb 0.88 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 1y9r n SER 965 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1y9r n ASP 966 N -1.58 2.11 0.28 4.04 -0.08 -1.05 -4.21 116.55 116.08 1y9r n ASP 966 Ca 0.02 0.02 -0.12 0.00 -1.51 0.00 0.00 54.79 53.20 1y9r n ASP 966 Cb 0.09 -0.43 -0.06 0.00 2.34 0.00 0.00 41.12 43.06 1y9r n ASP 966 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1y9r h GLN 967 N -0.27 -0.74 -0.02 -0.67 4.15 0.34 -3.37 115.11 114.52 1y9r h GLN 967 Ca -0.49 0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.98 1y9r h GLN 967 Cb 1.63 0.17 0.00 0.00 0.21 0.00 0.00 27.48 29.49 1y9r h GLN 967 CO -0.16 -0.49 -0.03 1.28 -1.93 0.00 0.00 178.83 177.50 1y9r n LEU 968 N -5.13 2.25 -0.13 -2.39 4.77 -0.79 -3.60 117.00 111.98 1y9r n LEU 968 Ca -0.09 -0.75 0.14 0.00 -0.03 0.00 0.00 56.01 55.27 1y9r n LEU 968 Cb 0.30 -0.00 0.50 0.00 -2.33 0.00 0.00 43.42 41.89 1y9r n LEU 968 CO 0.23 0.38 1.20 1.55 -1.33 0.00 0.00 177.39 179.42 1y9r h PRO 969 N 3.48 0.41 0.00 3.23 0.13 -1.73 -3.24 132.00 134.29 1y9r h PRO 969 Ca 0.00 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1y9r h PRO 969 Cb 0.76 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1y9r h PRO 969 CO 0.00 0.27 -0.35 0.36 -0.23 0.00 0.00 178.00 178.05 1y9r n LYS 970 N -4.47 3.34 -0.01 0.86 -0.00 -1.26 -4.80 118.16 111.82 1y9r n LYS 970 Ca 0.12 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.56 1y9r n LYS 970 Cb 0.45 -0.68 0.73 0.00 -0.00 0.00 0.00 35.03 35.54 1y9r n LYS 970 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1y9r n VAL 971 N -0.64 0.01 0.14 0.58 0.31 -1.24 -3.45 118.33 114.05 1y9r n VAL 971 Ca 0.00 -0.05 0.02 0.00 -0.01 0.00 0.00 64.34 64.30 1y9r n VAL 971 Cb 0.04 -0.27 0.08 0.00 -0.91 0.00 0.00 33.84 32.78 1y9r n VAL 971 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1y9r n GLU 972 N -0.72 0.03 0.00 5.55 4.07 -1.22 -3.86 120.64 124.49 1y9r n GLU 972 Ca 0.20 0.31 0.00 0.00 -0.06 0.00 0.00 57.16 57.61 1y9r n GLU 972 Cb 0.13 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.01 1y9r n GLU 972 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 1y9r n SER 973 N -1.35 0.00 -2.45 4.31 3.41 -1.22 -5.04 113.62 111.27 1y9r n SER 973 Ca 0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.61 1y9r n SER 973 Cb 0.03 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.05 1y9r n SER 973 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1y9r n GLY 974 N 5.00 1.69 0.24 5.00 0.00 -1.25 -4.87 105.19 110.99 1y9r n GLY 974 Ca 0.00 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.57 1y9r n GLY 974 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1y9r n ASN 975 N -0.81 1.02 -4.46 1.61 5.03 -1.26 -4.67 115.26 111.72 1y9r n ASN 975 Ca -0.07 -0.88 -0.44 0.00 0.87 0.00 0.00 54.58 54.07 1y9r n ASN 975 Cb 0.86 0.14 -0.07 0.00 -1.02 0.00 0.00 39.78 39.69 1y9r n ASN 975 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1y9r s ALA 976 N -2.51 3.40 -0.48 5.41 0.00 -1.26 0.03 121.76 126.34 1y9r s ALA 976 Ca 0.24 -1.66 -0.16 0.00 0.00 0.00 0.00 51.96 50.39 1y9r s ALA 976 Cb 0.19 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 20.10 1y9r s ALA 976 CO 0.52 -1.90 0.42 0.21 0.00 0.00 0.00 175.76 175.01 1y9r s LYS 977 N 2.53 2.99 0.53 0.00 2.20 -0.32 -4.91 119.74 122.74 1y9r s LYS 977 Ca 0.15 -1.34 -0.18 0.00 -0.36 0.00 0.00 55.97 54.24 1y9r s LYS 977 Cb -0.18 -4.14 -0.07 0.00 -1.51 0.00 0.00 37.83 31.93 1y9r s LYS 977 CO 0.13 -1.05 1.04 -2.14 -0.36 0.00 0.00 175.35 172.97 1y9r s PRO 978 N 1.71 3.63 -0.55 4.03 0.02 -1.26 -1.66 135.00 140.92 1y9r s PRO 978 Ca 0.05 1.28 -0.03 0.00 0.02 0.00 0.00 61.00 62.32 1y9r s PRO 978 Cb -0.24 -2.07 0.14 0.00 0.02 0.00 0.00 34.50 32.35 1y9r s PRO 978 CO 0.07 -0.56 0.36 -0.51 -0.33 0.00 0.00 177.00 176.03 1y9r s LEU 979 N -3.89 5.24 0.00 -5.54 1.43 0.16 -4.93 118.68 111.15 1y9r s LEU 979 Ca 0.65 -2.57 0.00 0.00 -1.03 0.00 0.00 54.13 51.19 1y9r s LEU 979 Cb -0.16 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1y9r s LEU 979 CO 0.27 -0.43 0.00 -1.22 0.23 0.00 0.00 176.35 175.20 1y9r n TYR 980 N 3.87 -0.61 0.00 0.29 4.01 -1.26 -4.93 117.16 118.53 1y9r n TYR 980 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 1y9r n TYR 980 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 1y9r n TYR 980 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y9r n PHE 981 N -0.61 0.00 -4.21 -0.72 3.72 -1.26 -5.05 117.46 109.33 1y9r n PHE 981 Ca 0.00 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.23 1y9r n PHE 981 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1y9r n PHE 981 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1y9r n HIS 982 N -0.27 -0.88 -1.76 1.38 8.25 -1.26 -5.10 115.22 115.58 1y9r n HIS 982 Ca 0.00 -2.50 0.00 0.00 -0.26 0.00 0.00 57.72 54.96 1y9r n HIS 982 Cb 0.00 0.32 0.00 0.00 1.12 0.00 0.00 29.99 31.43 1y9r n HIS 982 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87