#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xcg s ASN 715 N 0.00 -0.60 0.09 1.08 2.47 -1.26 -5.08 114.94 111.64 1xcg s ASN 715 Ca 0.00 1.02 -0.30 0.00 0.42 0.00 0.00 52.86 54.00 1xcg s ASN 715 Cb 0.00 0.90 -0.15 0.00 -1.45 0.00 0.00 41.25 40.55 1xcg s ASN 715 CO 0.00 -0.20 1.64 -0.25 -3.72 0.00 0.00 177.10 174.57 1xcg h TRP 716 N 7.11 -0.74 0.00 0.43 7.01 -1.92 -1.85 115.95 125.99 1xcg h TRP 716 Ca -0.35 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.64 1xcg h TRP 716 Cb 1.19 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.52 1xcg h TRP 716 CO 0.21 -0.42 0.00 -0.56 -2.79 0.00 0.00 178.44 174.88 1xcg h GLN 717 N -0.66 0.00 -0.02 2.65 3.07 -1.95 0.58 115.11 118.79 1xcg h GLN 717 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.70 1xcg h GLN 717 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.12 1xcg h GLN 717 CO 0.01 0.00 -0.27 0.72 0.09 0.00 0.00 178.83 179.39 1xcg n HIS 718 N -2.75 0.00 0.00 0.06 8.25 -1.11 -4.10 115.22 115.57 1xcg n HIS 718 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xcg n HIS 718 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1xcg n HIS 718 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1xcg n THR 719 N 0.20 0.00 0.04 1.59 -2.24 -0.71 -4.91 114.28 108.25 1xcg n THR 719 Ca 0.08 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.75 1xcg n THR 719 Cb 0.39 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.58 1xcg n THR 719 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1xcg h VAL 720 N 0.00 0.43 -3.72 2.28 2.07 -1.70 -3.34 116.25 112.27 1xcg h VAL 720 Ca 0.00 0.00 -0.50 0.00 0.82 0.00 0.00 66.70 67.02 1xcg h VAL 720 Cb 0.00 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1xcg h VAL 720 CO 0.00 0.00 0.39 -0.83 0.02 0.00 0.00 177.57 177.15 1xcg s GLY 721 N -2.56 3.07 0.18 2.17 0.00 0.13 -4.86 107.32 105.46 1xcg s GLY 721 Ca -0.15 0.68 0.00 0.00 0.00 0.00 0.00 44.72 45.25 1xcg s GLY 721 CO 0.66 1.33 0.00 1.17 0.00 0.00 0.00 173.10 176.26 1xcg n LYS 722 N 1.69 0.00 0.15 2.90 4.81 -1.26 -3.44 118.16 123.01 1xcg n LYS 722 Ca -0.01 0.00 0.03 0.00 -0.87 0.00 0.00 58.31 57.46 1xcg n LYS 722 Cb 0.47 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.59 1xcg n LYS 722 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1xcg h ASP 723 N 0.00 0.00 0.20 3.14 -0.00 -1.91 -3.38 116.42 114.47 1xcg h ASP 723 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1xcg h ASP 723 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.33 1xcg h ASP 723 CO 0.00 0.49 -1.21 1.33 -0.00 0.00 0.00 179.24 179.85 1xcg n VAL 724 N -3.26 0.07 0.29 2.25 0.24 -1.26 -4.19 118.33 112.46 1xcg n VAL 724 Ca 0.02 -0.21 0.15 0.00 -2.04 0.00 0.00 64.34 62.26 1xcg n VAL 724 Cb 0.71 0.43 0.87 0.00 -1.47 0.00 0.00 33.84 34.37 1xcg n VAL 724 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 1xcg h VAL 725 N 0.00 0.46 -0.53 3.34 3.04 -1.91 -3.00 116.25 117.65 1xcg h VAL 725 Ca 0.00 -0.25 -0.11 0.00 -1.01 0.00 0.00 66.70 65.34 1xcg h VAL 725 Cb 0.70 1.17 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 1xcg h VAL 725 CO 0.00 0.05 -0.09 0.00 -1.01 0.00 0.00 177.57 176.52 1xcg h ALA 726 N 1.95 0.72 -0.16 3.17 0.00 -1.87 -2.91 119.26 120.16 1xcg h ALA 726 Ca -0.00 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1xcg h ALA 726 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1xcg h ALA 726 CO 0.01 0.61 0.03 0.41 0.00 0.00 0.00 179.25 180.31 1xcg n GLY 727 N -0.27 2.00 3.26 0.00 0.00 -1.13 -4.88 105.19 104.16 1xcg n GLY 727 Ca 0.01 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1xcg n GLY 727 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xcg s LEU 728 N -0.68 2.18 0.75 0.99 1.43 -1.10 -5.14 118.68 117.11 1xcg s LEU 728 Ca 0.13 -0.54 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 1xcg s LEU 728 Cb 0.10 -0.97 0.04 0.00 0.03 0.00 0.00 46.19 45.39 1xcg s LEU 728 CO 0.04 0.15 1.08 0.28 0.23 0.00 0.00 176.35 178.12 1xcg s THR 729 N -0.85 3.58 0.31 5.49 -1.32 -1.26 -4.89 115.64 116.70 1xcg s THR 729 Ca 0.07 0.51 0.04 0.00 -1.21 0.00 0.00 61.69 61.11 1xcg s THR 729 Cb -0.09 -3.11 0.10 0.00 -1.51 0.00 0.00 72.50 67.89 1xcg s THR 729 CO 0.02 -0.67 1.79 -0.61 -2.21 0.00 0.00 174.62 172.94 1xcg h GLN 730 N -0.98 0.44 -0.40 7.08 5.75 -1.99 -1.61 115.11 123.41 1xcg h GLN 730 Ca -0.44 -0.14 -0.12 0.00 -0.15 0.00 0.00 58.65 57.80 1xcg h GLN 730 Cb 1.23 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.72 1xcg h GLN 730 CO 0.54 0.61 -0.23 -0.09 -2.65 0.00 0.00 178.83 177.01 1xcg h ARG 731 N 0.41 0.80 -0.30 1.69 1.12 -1.95 -1.68 114.38 114.45 1xcg h ARG 731 Ca 0.07 -0.33 -0.10 0.00 -1.11 0.00 0.00 59.98 58.51 1xcg h ARG 731 Cb 0.54 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.45 1xcg h ARG 731 CO 0.04 0.95 -0.25 1.49 -3.11 0.00 0.00 179.97 179.09 1xcg h GLU 732 N 0.69 0.60 0.03 0.20 4.57 -1.79 -2.74 114.58 116.14 1xcg h GLU 732 Ca 0.09 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1xcg h GLU 732 Cb 0.75 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.31 1xcg h GLU 732 CO 0.06 0.79 -0.01 0.82 -1.18 0.00 0.00 179.01 179.49 1xcg h ILE 733 N 0.52 1.19 -0.71 2.32 2.04 -0.94 0.54 117.51 122.48 1xcg h ILE 733 Ca 0.07 -0.71 0.12 0.00 1.00 0.00 0.00 64.86 65.34 1xcg h ILE 733 Cb 0.70 1.67 -0.09 0.00 -0.74 0.00 0.00 36.82 38.37 1xcg h ILE 733 CO 0.05 0.18 0.28 0.44 0.00 0.00 0.00 178.15 179.10 1xcg h ASP 734 N -0.35 0.27 -0.31 1.72 3.32 -1.38 0.13 116.42 119.81 1xcg h ASP 734 Ca -0.00 0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.19 1xcg h ASP 734 Cb 0.33 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 1xcg h ASP 734 CO 0.01 0.13 0.05 -0.09 -1.72 0.00 0.00 179.24 177.62 1xcg h ARG 735 N 0.45 0.16 -0.22 3.56 2.43 -1.25 -1.01 114.38 118.49 1xcg h ARG 735 Ca 0.37 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.50 1xcg h ARG 735 Cb 0.52 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1xcg h ARG 735 CO -0.36 0.11 -0.03 1.96 -1.51 0.00 0.00 179.97 180.13 1xcg h GLN 736 N 0.16 0.33 0.25 0.20 1.08 0.11 -2.15 115.11 115.10 1xcg h GLN 736 Ca 0.15 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1xcg h GLN 736 Cb 0.17 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1xcg h GLN 736 CO -0.20 0.39 -0.12 0.93 -0.95 0.00 0.00 178.83 178.87 1xcg h GLU 737 N 0.32 -0.32 -0.90 1.46 4.39 0.08 -1.13 114.58 118.48 1xcg h GLU 737 Ca 0.07 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.84 1xcg h GLU 737 Cb 0.27 0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 28.93 1xcg h GLU 737 CO 0.01 -0.00 0.58 0.28 -1.16 0.00 0.00 179.01 178.71 1xcg h VAL 738 N -0.67 1.13 -0.61 3.13 2.07 -1.17 -0.66 116.25 119.47 1xcg h VAL 738 Ca -0.03 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.08 1xcg h VAL 738 Cb 0.47 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1xcg h VAL 738 CO 0.06 0.20 0.27 0.40 0.02 0.00 0.00 177.57 178.52 1xcg h ILE 739 N 1.10 1.22 -0.45 4.57 2.04 -1.37 -1.84 117.51 122.79 1xcg h ILE 739 Ca 0.36 -0.66 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1xcg h ILE 739 Cb 0.04 0.53 -0.05 0.00 -0.74 0.00 0.00 36.82 36.60 1xcg h ILE 739 CO -0.13 0.26 0.18 -1.13 0.00 0.00 0.00 178.15 177.33 1xcg h ASN 740 N 0.84 0.22 -0.70 1.72 -0.73 -0.62 -0.47 115.58 115.84 1xcg h ASN 740 Ca 0.21 0.04 0.05 0.00 1.87 0.00 0.00 56.30 58.47 1xcg h ASN 740 Cb 0.16 0.01 -0.05 0.00 0.27 0.00 0.00 38.32 38.71 1xcg h ASN 740 CO -0.02 0.16 0.41 -0.08 -0.37 0.00 0.00 177.43 177.53 1xcg h GLU 741 N 0.37 0.74 -0.01 6.67 4.81 -0.93 0.20 114.58 126.42 1xcg h GLU 741 Ca 0.21 -0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.41 1xcg h GLU 741 Cb 0.17 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1xcg h GLU 741 CO -0.19 0.49 -0.11 1.25 -0.73 0.00 0.00 179.01 179.71 1xcg h LEU 742 N 0.76 -0.33 -0.08 1.64 5.85 -0.66 0.11 115.31 122.59 1xcg h LEU 742 Ca 0.30 0.05 0.01 0.00 0.84 0.00 0.00 57.88 59.08 1xcg h LEU 742 Cb 0.15 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1xcg h LEU 742 CO -0.16 -0.16 0.01 -0.26 -0.34 0.00 0.00 178.44 177.53 1xcg h PHE 743 N -0.19 0.02 -0.35 1.25 -1.00 -0.51 -1.24 116.94 114.93 1xcg h PHE 743 Ca 0.04 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.77 1xcg h PHE 743 Cb 0.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.80 1xcg h PHE 743 CO -0.18 0.01 -0.01 0.28 -1.61 0.00 0.00 178.31 176.80 1xcg h VAL 744 N 0.05 1.26 0.00 -0.55 2.07 -0.47 -2.32 116.25 116.30 1xcg h VAL 744 Ca 0.04 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.54 1xcg h VAL 744 Cb 0.03 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1xcg h VAL 744 CO -0.05 0.33 -0.14 0.71 0.02 0.00 0.00 177.57 178.44 1xcg h THR 745 N 0.43 0.37 0.03 2.57 1.35 -0.72 -1.54 112.91 115.40 1xcg h THR 745 Ca 0.10 -0.86 -0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1xcg h THR 745 Cb 0.47 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 1xcg h THR 745 CO 0.02 0.14 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.33 1xcg h GLU 746 N 0.00 -0.03 -0.64 4.72 4.57 -0.96 0.98 114.58 123.22 1xcg h GLU 746 Ca -0.00 0.00 0.08 0.00 -1.18 0.00 0.00 59.36 58.26 1xcg h GLU 746 Cb 0.63 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 29.16 1xcg h GLU 746 CO 0.02 0.39 0.30 0.00 -1.18 0.00 0.00 179.01 178.54 1xcg h ALA 747 N 0.48 0.85 -0.61 2.92 0.00 -1.23 -1.17 119.26 120.51 1xcg h ALA 747 Ca -0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1xcg h ALA 747 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1xcg h ALA 747 CO 0.01 -0.08 0.15 1.03 0.00 0.00 0.00 179.25 180.35 1xcg h SER 748 N 0.54 0.89 -0.62 0.00 0.87 -1.29 -1.72 113.55 112.22 1xcg h SER 748 Ca 0.31 -0.17 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1xcg h SER 748 Cb 0.30 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1xcg h SER 748 CO -0.25 0.86 0.34 -0.74 -0.53 0.00 0.00 176.83 176.52 1xcg h HIS 749 N 0.91 0.85 -0.68 2.24 6.17 -0.07 -2.41 115.15 122.15 1xcg h HIS 749 Ca 0.19 -0.02 0.04 0.00 0.71 0.00 0.00 60.37 61.30 1xcg h HIS 749 Cb 0.33 -0.27 -0.04 0.00 2.52 0.00 0.00 27.41 29.95 1xcg h HIS 749 CO 0.02 0.61 0.45 1.25 0.71 0.00 0.00 177.93 180.97 1xcg h LEU 750 N 0.84 0.68 -0.57 0.26 6.46 -0.97 -1.25 115.31 120.76 1xcg h LEU 750 Ca 0.22 -0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1xcg h LEU 750 Cb 0.04 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 39.79 1xcg h LEU 750 CO -0.03 0.46 0.38 -0.09 -0.62 0.00 0.00 178.44 178.53 1xcg h ARG 751 N 0.79 0.75 0.29 1.25 2.43 -0.85 -0.04 114.38 119.00 1xcg h ARG 751 Ca 0.28 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 1xcg h ARG 751 Cb 0.12 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 1xcg h ARG 751 CO -0.08 0.49 -0.14 1.15 -1.51 0.00 0.00 179.97 179.88 1xcg h THR 752 N 0.77 0.74 -1.01 0.20 2.02 -0.97 -0.65 112.91 114.01 1xcg h THR 752 Ca 0.21 -0.20 0.23 0.00 0.77 0.00 0.00 66.41 67.41 1xcg h THR 752 Cb -0.08 0.86 -0.12 0.00 -1.74 0.00 0.00 68.15 67.07 1xcg h THR 752 CO -0.05 0.04 0.60 -0.07 0.37 0.00 0.00 175.52 176.42 1xcg h LEU 753 N -0.49 0.71 -0.85 2.58 3.38 -1.12 0.89 115.31 120.41 1xcg h LEU 753 Ca -0.04 0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1xcg h LEU 753 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1xcg h LEU 753 CO 0.07 0.17 -0.18 0.03 0.09 0.00 0.00 178.44 178.61 1xcg h ARG 754 N 0.64 0.00 -0.13 1.13 3.08 -0.56 -1.47 114.38 117.07 1xcg h ARG 754 Ca 0.62 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.64 1xcg h ARG 754 Cb 1.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.16 1xcg h ARG 754 CO -0.44 0.18 -0.04 0.28 -1.07 0.00 0.00 179.97 178.89 1xcg h VAL 755 N 0.00 1.29 -0.80 2.04 2.07 0.70 -0.18 116.25 121.37 1xcg h VAL 755 Ca -0.00 -0.99 0.10 0.00 0.82 0.00 0.00 66.70 66.62 1xcg h VAL 755 Cb 0.83 1.68 -0.07 0.00 -1.52 0.00 0.00 31.29 32.21 1xcg h VAL 755 CO 0.02 0.29 0.44 -0.07 0.02 0.00 0.00 177.57 178.27 1xcg h LEU 756 N -0.06 0.61 0.46 2.57 3.38 -1.03 0.55 115.31 121.79 1xcg h LEU 756 Ca 0.03 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1xcg h LEU 756 Cb 0.46 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1xcg h LEU 756 CO 0.01 0.34 -0.22 -0.78 0.09 0.00 0.00 178.44 177.88 1xcg h ASP 757 N 0.72 -0.53 -0.16 -0.43 3.58 -1.22 0.53 116.42 118.91 1xcg h ASP 757 Ca 0.39 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.78 1xcg h ASP 757 Cb 0.39 0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.58 1xcg h ASP 757 CO -0.26 -0.23 -0.20 -0.07 -2.88 0.00 0.00 179.24 175.60 1xcg h LEU 758 N -0.91 0.46 0.07 2.28 -0.00 -0.94 -0.23 115.31 116.03 1xcg h LEU 758 Ca -0.06 -0.50 -0.26 0.00 -0.00 0.00 0.00 57.88 57.05 1xcg h LEU 758 Cb 0.48 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 1xcg h LEU 758 CO 0.10 0.86 -1.18 0.40 -0.00 0.00 0.00 178.44 178.63 1xcg h ILE 759 N 0.06 1.49 0.00 1.22 1.08 -1.07 -3.39 117.51 116.90 1xcg h ILE 759 Ca 0.02 -2.98 0.00 0.00 -0.39 0.00 0.00 64.86 61.51 1xcg h ILE 759 Cb 0.75 2.86 0.00 0.00 -3.07 0.00 0.00 36.82 37.36 1xcg h ILE 759 CO 0.05 0.87 0.00 0.49 -0.69 0.00 0.00 178.15 178.87 1xcg n PHE 760 N -3.56 0.00 0.12 1.37 3.72 -1.14 -4.72 117.46 113.25 1xcg n PHE 760 Ca -0.08 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.19 1xcg n PHE 760 Cb 0.99 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.47 1xcg n PHE 760 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1xcg h TYR 761 N 0.00 -0.61 -0.45 1.38 3.20 -0.81 0.36 116.97 120.04 1xcg h TYR 761 Ca 0.00 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1xcg h TYR 761 Cb 0.00 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.50 1xcg h TYR 761 CO 0.00 -0.33 0.26 1.96 -1.64 0.00 0.00 178.16 178.41 1xcg h GLN 762 N -0.44 0.61 -0.07 1.82 1.08 -1.27 -1.43 115.11 115.41 1xcg h GLN 762 Ca 0.02 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.00 1xcg h GLN 762 Cb 0.45 -0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.76 1xcg h GLN 762 CO -0.11 0.44 -0.62 0.00 -0.95 0.00 0.00 178.83 177.59 1xcg h ARG 763 N 0.62 0.54 -0.06 1.46 3.08 -1.69 -0.24 114.38 118.10 1xcg h ARG 763 Ca 0.16 -0.49 -0.00 0.00 0.07 0.00 0.00 59.98 59.72 1xcg h ARG 763 Cb -0.01 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1xcg h ARG 763 CO -0.03 1.12 0.01 0.52 -1.07 0.00 0.00 179.97 180.52 1xcg h MET 764 N 0.13 0.08 0.15 0.04 2.86 -0.63 -0.71 114.93 116.85 1xcg h MET 764 Ca -0.06 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1xcg h MET 764 Cb 1.28 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.92 1xcg h MET 764 CO 0.13 0.08 -0.07 -0.22 1.06 0.00 0.00 176.91 177.88 1xcg h LYS 765 N 0.08 -0.20 -0.21 1.72 3.64 -1.18 -1.80 116.57 118.62 1xcg h LYS 765 Ca 0.02 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 1xcg h LYS 765 Cb 0.04 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1xcg h LYS 765 CO -0.00 -0.13 -0.05 -0.22 -2.27 0.00 0.00 179.45 176.77 1xcg h LYS 766 N -0.92 0.32 -0.38 1.90 3.11 -1.02 -2.66 116.57 116.92 1xcg h LYS 766 Ca -0.02 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 1xcg h LYS 766 Cb 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.34 1xcg h LYS 766 CO 0.03 0.40 0.00 0.39 -2.81 0.00 0.00 179.45 177.46 1xcg n GLU 767 N -4.31 2.27 -3.77 1.90 1.02 -0.28 -4.97 120.64 112.51 1xcg n GLU 767 Ca 0.00 -1.94 -0.25 0.00 -0.02 0.00 0.00 57.16 54.96 1xcg n GLU 767 Cb 0.23 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.22 1xcg n GLU 767 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xcg n ASN 768 N 1.13 -2.71 0.24 1.62 3.02 -1.00 -4.89 115.26 112.67 1xcg n ASN 768 Ca 0.19 -0.79 0.14 0.00 -0.03 0.00 0.00 54.58 54.08 1xcg n ASN 768 Cb 0.51 -4.04 0.35 0.00 -0.61 0.00 0.00 39.78 35.99 1xcg n ASN 768 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xcg h LEU 769 N -1.99 0.00 -7.88 3.41 3.38 -1.59 -3.45 115.31 107.20 1xcg h LEU 769 Ca -0.60 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.30 1xcg h LEU 769 Cb 1.37 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.00 1xcg h LEU 769 CO 0.60 0.00 -0.19 0.00 0.09 0.00 0.00 178.44 178.94 1xcg s MET 770 N -3.37 1.20 0.58 1.13 0.23 -1.26 -4.90 119.30 112.91 1xcg s MET 770 Ca 0.05 -1.03 -0.21 0.00 -1.03 0.00 0.00 55.69 53.48 1xcg s MET 770 Cb 0.06 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.75 1xcg s MET 770 CO 0.62 -0.47 1.34 -2.14 -2.03 0.00 0.00 175.02 172.35 1xcg s PRO 771 N -3.92 2.97 0.37 3.16 0.02 -1.26 -4.79 135.00 131.55 1xcg s PRO 771 Ca 0.13 2.19 0.12 0.00 0.02 0.00 0.00 61.00 63.46 1xcg s PRO 771 Cb 0.02 -2.14 0.90 0.00 0.02 0.00 0.00 34.50 33.30 1xcg s PRO 771 CO -0.02 -1.31 1.84 0.00 -0.33 0.00 0.00 177.00 177.17 1xcg h ARG 772 N 1.20 0.58 -0.30 5.54 2.47 -1.98 -1.00 114.38 120.88 1xcg h ARG 772 Ca -0.51 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.07 1xcg h ARG 772 Cb 1.31 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 29.49 1xcg h ARG 772 CO 0.56 0.38 -0.27 0.93 0.56 0.00 0.00 179.97 182.14 1xcg h GLU 773 N 0.60 0.61 -0.10 0.04 3.07 -1.99 0.24 114.58 117.05 1xcg h GLU 773 Ca 0.49 -0.25 -0.22 0.00 -0.50 0.00 0.00 59.36 58.88 1xcg h GLU 773 Cb 0.95 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.84 1xcg h GLU 773 CO -0.24 0.82 -0.81 0.93 -1.40 0.00 0.00 179.01 178.31 1xcg h GLU 774 N 0.53 0.63 -0.46 2.33 5.08 -1.68 -3.05 114.58 117.96 1xcg h GLU 774 Ca 0.07 -0.54 -0.04 0.00 -1.00 0.00 0.00 59.36 57.85 1xcg h GLU 774 Cb 0.73 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 1xcg h GLU 774 CO 0.06 1.16 0.15 1.25 -1.00 0.00 0.00 179.01 180.63 1xcg h LEU 775 N 0.42 0.66 -2.06 1.33 5.85 -0.85 -2.53 115.31 118.13 1xcg h LEU 775 Ca -0.06 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.48 1xcg h LEU 775 Cb 1.42 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1xcg h LEU 775 CO 0.15 0.69 0.06 0.00 -0.34 0.00 0.00 178.44 179.00 1xcg h ALA 776 N 1.00 2.01 0.03 1.25 0.00 -0.57 0.51 119.26 123.49 1xcg h ALA 776 Ca 0.15 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.84 1xcg h ALA 776 Cb 0.26 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xcg h ALA 776 CO -0.01 -0.10 -0.98 0.00 0.00 0.00 0.00 179.25 178.16 1xcg h ARG 777 N 0.00 0.14 -0.08 0.00 3.08 -1.35 -2.43 114.38 113.74 1xcg h ARG 777 Ca 0.04 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 59.88 1xcg h ARG 777 Cb 0.16 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 1xcg h ARG 777 CO -0.00 1.01 -0.03 1.25 -1.07 0.00 0.00 179.97 181.12 1xcg h LEU 778 N 0.06 0.16 -6.30 3.04 6.46 -0.89 -3.39 115.31 114.45 1xcg h LEU 778 Ca -0.05 -0.41 -0.59 0.00 -0.12 0.00 0.00 57.88 56.71 1xcg h LEU 778 Cb 1.67 -0.04 -0.41 0.00 -0.73 0.00 0.00 40.66 41.14 1xcg h LEU 778 CO 0.14 0.53 -0.76 0.49 -0.62 0.00 0.00 178.44 178.23 1xcg n PHE 779 N -4.77 2.13 -0.27 1.25 3.72 0.07 -4.97 117.46 114.61 1xcg n PHE 779 Ca -0.07 -3.95 0.04 0.00 -0.05 0.00 0.00 57.45 53.42 1xcg n PHE 779 Cb 0.25 -0.44 0.26 0.00 -0.94 0.00 0.00 39.48 38.61 1xcg n PHE 779 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xcg h PRO 780 N 4.45 0.95 -0.33 -1.08 0.11 -1.63 -3.33 132.00 131.13 1xcg h PRO 780 Ca 0.16 -0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.97 1xcg h PRO 780 Cb 0.76 -0.21 -0.26 0.00 0.11 0.00 0.00 31.00 31.39 1xcg h PRO 780 CO 0.68 0.63 -0.69 0.27 -0.21 0.00 0.00 178.00 178.68 1xcg n ASN 781 N -4.48 -0.29 -0.19 -2.05 6.94 -1.26 -4.98 115.26 108.95 1xcg n ASN 781 Ca 0.13 -2.37 -0.07 0.00 -0.02 0.00 0.00 54.58 52.24 1xcg n ASN 781 Cb 0.19 0.26 0.02 0.00 -2.36 0.00 0.00 39.78 37.89 1xcg n ASN 781 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1xcg h LEU 782 N 2.11 0.70 -0.70 -4.53 5.85 -1.99 -0.75 115.31 116.01 1xcg h LEU 782 Ca -0.25 -0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.38 1xcg h LEU 782 Cb 1.27 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 1xcg h LEU 782 CO 0.09 0.63 0.43 -0.65 -0.34 0.00 0.00 178.44 178.59 1xcg h PRO 783 N 0.73 0.80 -0.22 5.25 0.11 -1.93 0.25 132.00 136.99 1xcg h PRO 783 Ca 0.19 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.23 1xcg h PRO 783 Cb 0.11 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1xcg h PRO 783 CO -0.02 0.53 0.06 0.93 -0.21 0.00 0.00 178.00 179.28 1xcg h GLU 784 N 0.82 0.34 -0.13 1.05 3.07 -1.88 0.20 114.58 118.05 1xcg h GLU 784 Ca 0.29 -0.08 0.04 0.00 -0.50 0.00 0.00 59.36 59.10 1xcg h GLU 784 Cb 0.06 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.89 1xcg h GLU 784 CO -0.13 0.46 -0.09 1.25 -1.40 0.00 0.00 179.01 179.10 1xcg h LEU 785 N 0.17 -0.29 -0.38 1.33 5.85 -0.77 -0.04 115.31 121.18 1xcg h LEU 785 Ca 0.07 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.93 1xcg h LEU 785 Cb 0.26 0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.37 1xcg h LEU 785 CO 0.00 -0.12 -0.13 0.40 -0.34 0.00 0.00 178.44 178.25 1xcg h ILE 786 N -0.09 0.55 -0.93 4.05 2.04 -0.22 -2.71 117.51 120.19 1xcg h ILE 786 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 1xcg h ILE 786 Cb 0.22 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 1xcg h ILE 786 CO -0.19 0.00 0.54 -0.08 0.00 0.00 0.00 178.15 178.42 1xcg h GLU 787 N -0.05 1.27 -0.75 2.37 4.57 -0.35 0.72 114.58 122.37 1xcg h GLU 787 Ca 0.19 -0.13 0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1xcg h GLU 787 Cb 0.33 -0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 1xcg h GLU 787 CO -0.42 0.90 0.43 0.82 -1.18 0.00 0.00 179.01 179.57 1xcg h ILE 788 N 1.29 0.98 0.10 2.32 2.04 -0.74 -0.65 117.51 122.85 1xcg h ILE 788 Ca 0.33 -0.27 -0.29 0.00 1.00 0.00 0.00 64.86 65.64 1xcg h ILE 788 Cb -0.03 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.17 1xcg h ILE 788 CO -0.06 0.14 -1.41 0.45 0.00 0.00 0.00 178.15 177.27 1xcg h HIS 789 N 0.78 0.40 -0.89 1.37 3.86 -1.09 -3.27 115.15 116.31 1xcg h HIS 789 Ca 0.34 -0.29 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 1xcg h HIS 789 Cb 0.21 -0.02 -0.04 0.00 1.06 0.00 0.00 27.41 28.62 1xcg h HIS 789 CO -0.06 1.30 0.58 -0.97 0.86 0.00 0.00 177.93 179.63 1xcg h ASN 790 N 0.06 1.04 0.29 2.45 -1.24 0.78 -0.98 115.58 117.96 1xcg h ASN 790 Ca -0.19 -0.04 -0.24 0.00 0.71 0.00 0.00 56.30 56.54 1xcg h ASN 790 Cb 1.98 -0.26 0.01 0.00 0.73 0.00 0.00 38.32 40.78 1xcg h ASN 790 CO 0.17 0.76 -0.97 0.77 -1.29 0.00 0.00 177.43 176.87 1xcg h SER 791 N 1.21 0.60 -0.56 1.15 4.64 -1.25 -0.72 113.55 118.62 1xcg h SER 791 Ca 0.32 -0.48 -0.07 0.00 -0.47 0.00 0.00 61.79 61.09 1xcg h SER 791 Cb -0.12 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.77 1xcg h SER 791 CO -0.07 1.29 0.10 -0.25 -0.87 0.00 0.00 176.83 177.03 1xcg h TRP 792 N 0.25 1.02 -0.57 4.77 7.01 -1.59 -1.42 115.95 125.43 1xcg h TRP 792 Ca -0.09 -0.12 0.00 0.00 2.11 0.00 0.00 58.89 60.79 1xcg h TRP 792 Cb 1.61 -0.29 -0.03 0.00 -2.10 0.00 0.00 29.16 28.36 1xcg h TRP 792 CO 0.07 0.86 0.37 0.00 -2.79 0.00 0.00 178.44 176.95 1xcg h GLU 794 N 0.77 0.59 -0.37 0.00 4.39 -0.86 0.10 114.58 119.21 1xcg h GLU 794 Ca 0.21 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1xcg h GLU 794 Cb -0.07 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1xcg h GLU 794 CO -0.04 0.66 -0.21 0.00 -1.16 0.00 0.00 179.01 178.25 1xcg h ALA 795 N 1.39 0.52 -0.31 3.43 0.00 -1.05 -1.07 119.26 122.17 1xcg h ALA 795 Ca 0.11 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.71 1xcg h ALA 795 Cb 0.44 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 1xcg h ALA 795 CO 0.02 0.49 -0.14 0.52 0.00 0.00 0.00 179.25 180.14 1xcg h MET 796 N 0.59 -0.09 -0.73 0.00 2.86 -0.92 -1.88 114.93 114.76 1xcg h MET 796 Ca 0.08 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.80 1xcg h MET 796 Cb 0.77 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.39 1xcg h MET 796 CO 0.06 -0.06 0.40 -0.22 1.06 0.00 0.00 176.91 178.14 1xcg h LYS 797 N -0.10 0.67 -0.62 1.72 3.64 -0.70 -1.84 116.57 119.35 1xcg h LYS 797 Ca 0.16 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1xcg h LYS 797 Cb 0.34 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1xcg h LYS 797 CO -0.37 0.45 0.05 0.87 -2.27 0.00 0.00 179.45 178.17 1xcg h LYS 798 N 0.69 1.07 -0.73 1.90 1.79 -0.97 -2.13 116.57 118.19 1xcg h LYS 798 Ca 0.34 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.47 1xcg h LYS 798 Cb 0.29 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.80 1xcg h LYS 798 CO -0.23 1.02 0.33 1.25 -1.08 0.00 0.00 179.45 180.74 1xcg h LEU 799 N 0.97 0.95 -1.41 2.94 5.85 -1.03 -2.59 115.31 120.99 1xcg h LEU 799 Ca 0.18 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1xcg h LEU 799 Cb 0.50 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 1xcg h LEU 799 CO 0.02 0.82 -0.22 -0.09 -0.34 0.00 0.00 178.44 178.63 1xcg h ARG 800 N 1.04 0.11 0.00 1.25 2.43 -0.92 -3.16 114.38 115.12 1xcg h ARG 800 Ca 0.25 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 1xcg h ARG 800 Cb 0.14 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1xcg h ARG 800 CO -0.03 0.33 -0.13 1.49 -1.51 0.00 0.00 179.97 180.12 1xcg h GLU 801 N 0.10 0.00 -1.99 0.20 4.81 -0.98 -3.05 114.58 113.67 1xcg h GLU 801 Ca 0.02 0.00 -0.51 0.00 -0.13 0.00 0.00 59.36 58.74 1xcg h GLU 801 Cb 0.45 0.00 -0.18 0.00 0.63 0.00 0.00 28.75 29.65 1xcg h GLU 801 CO 0.03 0.13 0.41 -0.85 -0.73 0.00 0.00 179.01 178.00 1xcg n GLU 802 N -4.31 2.40 0.00 1.92 0.28 -1.20 -4.93 120.64 114.81 1xcg n GLU 802 Ca -0.03 -2.37 0.00 0.00 -0.16 0.00 0.00 57.16 54.60 1xcg n GLU 802 Cb 0.21 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 30.93 1xcg n GLU 802 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xcg n GLY 803 N 0.83 2.18 0.22 -1.84 0.00 -1.15 -4.88 105.19 100.55 1xcg n GLY 803 Ca 0.49 -1.68 0.02 0.00 0.00 0.00 0.00 46.02 44.85 1xcg n GLY 803 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xcg h PRO 804 N 0.00 0.13 -6.09 1.61 0.13 -1.89 -3.40 132.00 122.48 1xcg h PRO 804 Ca 0.00 -0.04 -0.60 0.00 -0.87 0.00 0.00 66.00 64.50 1xcg h PRO 804 Cb 0.00 -0.01 -0.11 0.00 0.13 0.00 0.00 31.00 31.01 1xcg h PRO 804 CO 0.00 0.37 0.66 0.42 -0.23 0.00 0.00 178.00 179.22 1xcg s ILE 805 N -4.49 4.33 0.20 -3.56 1.01 -1.26 -4.87 121.20 112.56 1xcg s ILE 805 Ca -0.04 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.84 1xcg s ILE 805 Cb 0.15 -4.55 -0.08 0.00 0.01 0.00 0.00 42.46 37.98 1xcg s ILE 805 CO 0.73 -1.09 1.07 -0.63 0.00 0.00 0.00 174.94 175.02 1xcg s ILE 806 N 4.12 3.84 0.00 2.92 1.09 -1.26 -5.04 121.20 126.87 1xcg s ILE 806 Ca 0.35 1.67 0.00 0.00 -1.10 0.00 0.00 60.65 61.57 1xcg s ILE 806 Cb -0.11 -4.06 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 1xcg s ILE 806 CO 0.22 0.32 0.00 0.29 -0.10 0.00 0.00 174.94 175.68 1xcg n LYS 807 N 2.03 0.00 -2.20 2.79 5.02 -1.26 -4.97 118.16 119.58 1xcg n LYS 807 Ca 0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 1xcg n LYS 807 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.44 1xcg n LYS 807 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xcg s GLU 808 N 2.35 4.30 0.00 1.97 8.01 -1.26 -4.89 118.70 129.18 1xcg s GLU 808 Ca 0.00 2.02 0.08 0.00 0.01 0.00 0.00 54.97 57.08 1xcg s GLU 808 Cb 0.00 -3.43 -0.06 0.00 -4.31 0.00 0.00 34.13 26.33 1xcg s GLU 808 CO 0.00 -0.51 0.43 1.51 0.01 0.00 0.00 175.26 176.70 1xcg n ILE 809 N 4.33 0.00 -0.32 -1.63 3.06 -1.26 -4.75 119.36 118.78 1xcg n ILE 809 Ca 0.12 -0.33 0.03 0.00 -2.50 0.00 0.00 62.75 60.07 1xcg n ILE 809 Cb 0.43 1.03 0.18 0.00 0.54 0.00 0.00 39.64 41.82 1xcg n ILE 809 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1xcg h SER 810 N 0.30 0.81 -0.30 9.51 4.64 -1.90 -2.27 113.55 124.34 1xcg h SER 810 Ca 0.00 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1xcg h SER 810 Cb 0.23 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 1xcg h SER 810 CO 0.00 0.48 0.01 0.44 -0.87 0.00 0.00 176.83 176.89 1xcg h ASP 811 N 0.93 0.59 -0.33 4.97 3.32 -1.95 0.14 116.42 124.09 1xcg h ASP 811 Ca 0.42 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 1xcg h ASP 811 Cb 0.33 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 1xcg h ASP 811 CO -0.23 0.66 0.01 0.25 -1.72 0.00 0.00 179.24 178.21 1xcg h LEU 812 N 0.60 0.55 -0.02 1.55 5.85 -1.76 -0.48 115.31 121.61 1xcg h LEU 812 Ca 0.12 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 1xcg h LEU 812 Cb 0.36 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1xcg h LEU 812 CO 0.01 0.72 0.01 0.24 -0.34 0.00 0.00 178.44 179.08 1xcg h MET 813 N 0.37 0.02 -0.29 1.25 2.86 -0.97 -2.95 114.93 115.22 1xcg h MET 813 Ca 0.09 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1xcg h MET 813 Cb 0.42 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1xcg h MET 813 CO 0.01 0.05 0.14 -0.07 1.06 0.00 0.00 176.91 178.10 1xcg h LEU 814 N -0.01 0.35 0.00 1.22 3.38 -0.66 -1.91 115.31 117.68 1xcg h LEU 814 Ca 0.01 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xcg h LEU 814 Cb 0.03 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1xcg h LEU 814 CO -0.00 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.83 1xcg n ALA 815 N -2.49 1.70 -0.04 1.53 0.00 -0.20 -1.78 120.51 119.24 1xcg n ALA 815 Ca 0.01 -0.06 -0.04 0.00 0.00 0.00 0.00 53.44 53.35 1xcg n ALA 815 Cb 0.11 -1.21 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 1xcg n ALA 815 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xcg n ARG 816 N -1.37 1.89 -0.09 0.00 0.00 -0.81 -4.73 116.66 111.56 1xcg n ARG 816 Ca 0.05 0.02 0.04 0.00 -0.00 0.00 0.00 57.85 57.95 1xcg n ARG 816 Cb 0.12 -1.17 0.09 0.00 0.00 0.00 0.00 32.46 31.50 1xcg n ARG 816 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 1xcg n PHE 817 N -2.44 0.24 -4.16 -0.14 3.72 -0.78 -3.44 117.46 110.46 1xcg n PHE 817 Ca -0.12 -0.38 -0.14 0.00 -0.05 0.00 0.00 57.45 56.75 1xcg n PHE 817 Cb 0.69 -0.03 -0.11 0.00 -0.94 0.00 0.00 39.48 39.10 1xcg n PHE 817 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1xcg s ASP 818 N -0.91 1.34 1.25 4.37 2.15 -0.73 -4.43 116.67 119.71 1xcg s ASP 818 Ca 0.14 -0.77 0.00 0.00 0.43 0.00 0.00 52.55 52.35 1xcg s ASP 818 Cb 0.08 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 1xcg s ASP 818 CO 0.10 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 1xcg n GLY 819 N 0.71 3.08 0.22 2.66 0.00 -1.26 -2.42 105.19 108.18 1xcg n GLY 819 Ca -0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 46.02 45.58 1xcg n GLY 819 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xcg h PRO 820 N 0.00 0.61 -0.95 1.61 0.11 -1.98 -2.39 132.00 129.01 1xcg h PRO 820 Ca 0.00 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.26 1xcg h PRO 820 Cb 0.00 -0.14 -0.11 0.00 0.11 0.00 0.00 31.00 30.87 1xcg h PRO 820 CO 0.00 0.40 0.54 0.00 -0.21 0.00 0.00 178.00 178.73 1xcg h ALA 821 N 1.26 1.55 -0.34 -0.75 0.00 -1.76 -0.51 119.26 118.71 1xcg h ALA 821 Ca 0.23 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1xcg h ALA 821 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xcg h ALA 821 CO -0.12 -0.10 -0.06 -0.09 0.00 0.00 0.00 179.25 178.88 1xcg h ARG 822 N 0.68 0.64 -0.13 0.00 9.65 -1.39 -1.71 114.38 122.12 1xcg h ARG 822 Ca 0.55 -0.23 0.03 0.00 -1.10 0.00 0.00 59.98 59.23 1xcg h ARG 822 Cb 0.87 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.37 1xcg h ARG 822 CO -0.40 0.79 -0.09 0.93 2.80 0.00 0.00 179.97 184.00 1xcg h GLU 823 N 0.43 -0.10 -0.06 0.20 4.39 -0.81 -0.69 114.58 117.94 1xcg h GLU 823 Ca 0.09 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.81 1xcg h GLU 823 Cb 0.54 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1xcg h GLU 823 CO 0.03 -0.06 -0.03 1.49 -1.16 0.00 0.00 179.01 179.28 1xcg h GLU 824 N -0.10 -0.02 0.05 2.33 4.81 -1.21 -2.32 114.58 118.13 1xcg h GLU 824 Ca 0.08 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1xcg h GLU 824 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 1xcg h GLU 824 CO -0.19 -0.01 -0.02 1.25 -0.73 0.00 0.00 179.01 179.30 1xcg h LEU 825 N -0.02 -0.05 -1.48 1.64 5.85 -1.02 -2.24 115.31 117.98 1xcg h LEU 825 Ca 0.03 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 1xcg h LEU 825 Cb 0.07 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1xcg h LEU 825 CO -0.07 0.01 -0.14 0.06 -0.34 0.00 0.00 178.44 177.97 1xcg h GLN 826 N -0.12 0.17 0.04 1.25 3.07 -1.10 -1.64 115.11 116.78 1xcg h GLN 826 Ca -0.01 -0.04 -0.00 0.00 0.09 0.00 0.00 58.65 58.70 1xcg h GLN 826 Cb 0.10 -0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.64 1xcg h GLN 826 CO 0.01 0.31 -0.02 1.96 0.09 0.00 0.00 178.83 181.18 1xcg h GLN 827 N 0.16 -0.05 0.01 0.06 4.20 -1.23 -1.51 115.11 116.76 1xcg h GLN 827 Ca 0.03 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.76 1xcg h GLN 827 Cb 0.34 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 1xcg h GLN 827 CO 0.02 0.41 -0.08 0.28 -0.67 0.00 0.00 178.83 178.79 1xcg h VAL 828 N -0.53 0.80 -0.72 -0.54 2.07 -1.37 -1.10 116.25 114.85 1xcg h VAL 828 Ca -0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1xcg h VAL 828 Cb 0.49 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1xcg h VAL 828 CO 0.01 0.00 0.35 0.00 0.02 0.00 0.00 177.57 177.95 1xcg h ALA 829 N 0.83 1.27 -0.51 1.67 0.00 -1.35 0.17 119.26 121.34 1xcg h ALA 829 Ca 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1xcg h ALA 829 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xcg h ALA 829 CO -0.08 0.57 0.19 0.00 0.00 0.00 0.00 179.25 179.93 1xcg h ALA 830 N 1.37 0.66 -0.33 0.00 0.00 -1.05 -1.33 119.26 118.58 1xcg h ALA 830 Ca 0.25 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 1xcg h ALA 830 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1xcg h ALA 830 CO -0.03 0.29 -0.34 0.37 0.00 0.00 0.00 179.25 179.54 1xcg h GLN 831 N 0.69 0.75 -0.77 0.00 4.15 -0.53 -1.36 115.11 118.04 1xcg h GLN 831 Ca 0.17 -0.36 -0.04 0.00 0.77 0.00 0.00 58.65 59.19 1xcg h GLN 831 Cb 0.23 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.88 1xcg h GLN 831 CO -0.01 0.98 0.33 0.35 -1.93 0.00 0.00 178.83 178.55 1xcg h PHE 832 N 0.63 1.13 0.00 3.99 3.57 -0.76 -3.36 116.94 122.13 1xcg h PHE 832 Ca 0.06 -0.07 -0.22 0.00 3.53 0.00 0.00 57.97 61.28 1xcg h PHE 832 Cb 0.87 -0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1xcg h PHE 832 CO 0.04 0.84 -2.06 0.00 -2.23 0.00 0.00 178.31 174.90 1xcg h SER 834 N 0.00 0.00 -0.01 0.00 4.64 -1.40 -2.73 113.55 114.05 1xcg h SER 834 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1xcg h SER 834 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 1xcg h SER 834 CO 0.03 0.32 -0.52 0.00 -0.87 0.00 0.00 176.83 175.78 1xcg n TYR 835 N -3.43 0.00 -0.25 4.77 9.36 -1.26 -4.43 117.16 121.91 1xcg n TYR 835 Ca 0.00 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.28 1xcg n TYR 835 Cb 0.50 0.00 0.19 0.00 -0.63 0.00 0.00 39.34 39.40 1xcg n TYR 835 CO 0.00 0.00 0.00 0.37 0.22 0.00 0.00 176.86 177.45 1xcg h GLN 836 N 1.17 0.30 -0.50 2.98 4.15 -1.69 -1.07 115.11 120.45 1xcg h GLN 836 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 1xcg h GLN 836 Cb 0.51 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 1xcg h GLN 836 CO 0.00 0.20 0.17 0.66 -1.93 0.00 0.00 178.83 177.93 1xcg h SER 837 N 0.31 0.67 -0.09 -0.69 4.64 -1.86 0.16 113.55 116.69 1xcg h SER 837 Ca 0.43 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.60 1xcg h SER 837 Cb 0.72 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1xcg h SER 837 CO -0.49 0.63 -0.16 0.40 -0.87 0.00 0.00 176.83 176.34 1xcg h ILE 838 N 0.72 1.40 -0.76 0.95 1.08 -1.59 -2.06 117.51 117.24 1xcg h ILE 838 Ca 0.17 -1.44 -0.01 0.00 -0.39 0.00 0.00 64.86 63.19 1xcg h ILE 838 Cb 0.19 2.13 -0.04 0.00 -3.07 0.00 0.00 36.82 36.03 1xcg h ILE 838 CO -0.01 0.41 0.42 0.00 -0.69 0.00 0.00 178.15 178.27 1xcg h ALA 839 N 0.51 1.30 -0.56 1.87 0.00 -0.87 -2.01 119.26 119.50 1xcg h ALA 839 Ca 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1xcg h ALA 839 Cb 0.73 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xcg h ALA 839 CO 0.04 0.57 0.17 -0.07 0.00 0.00 0.00 179.25 179.95 1xcg h LEU 840 N 1.06 0.82 -1.42 0.00 3.38 -0.69 0.03 115.31 118.50 1xcg h LEU 840 Ca 0.27 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1xcg h LEU 840 Cb 0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1xcg h LEU 840 CO -0.04 0.81 0.27 -0.08 0.09 0.00 0.00 178.44 179.49 1xcg h GLU 841 N 0.78 0.66 -0.22 1.13 4.57 -0.98 -1.63 114.58 118.90 1xcg h GLU 841 Ca 0.18 -0.06 -0.15 0.00 -1.18 0.00 0.00 59.36 58.15 1xcg h GLU 841 Cb 0.29 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1xcg h GLU 841 CO -0.00 0.49 -0.47 -0.07 -1.18 0.00 0.00 179.01 177.77 1xcg h LEU 842 N 0.67 0.62 -1.17 1.64 3.38 -0.84 -2.44 115.31 117.17 1xcg h LEU 842 Ca 0.17 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1xcg h LEU 842 Cb 0.02 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1xcg h LEU 842 CO -0.03 1.00 0.54 0.40 0.09 0.00 0.00 178.44 180.44 1xcg h ILE 843 N 0.46 1.22 -0.33 1.22 5.03 -0.26 -1.93 117.51 122.91 1xcg h ILE 843 Ca 0.03 -0.41 -0.04 0.00 -0.12 0.00 0.00 64.86 64.32 1xcg h ILE 843 Cb 1.00 0.01 -0.01 0.00 -3.03 0.00 0.00 36.82 34.78 1xcg h ILE 843 CO 0.09 0.21 0.04 0.50 -0.68 0.00 0.00 178.15 178.31 1xcg h LYS 844 N 1.13 0.56 -0.13 2.37 3.64 -1.02 -1.83 116.57 121.28 1xcg h LYS 844 Ca 0.30 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1xcg h LYS 844 Cb -0.12 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1xcg h LYS 844 CO -0.06 0.65 0.08 1.15 -2.27 0.00 0.00 179.45 179.00 1xcg h THR 845 N 0.38 1.09 -0.87 1.00 2.02 -1.28 -2.67 112.91 112.58 1xcg h THR 845 Ca 0.10 -0.24 0.04 0.00 0.77 0.00 0.00 66.41 67.08 1xcg h THR 845 Cb 0.37 1.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 1xcg h THR 845 CO 0.01 0.08 0.57 0.50 0.37 0.00 0.00 175.52 177.05 1xcg h LYS 846 N 0.13 1.03 -0.12 6.66 3.64 -1.28 -1.03 116.57 125.59 1xcg h LYS 846 Ca 0.05 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1xcg h LYS 846 Cb 0.06 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1xcg h LYS 846 CO -0.01 0.68 -0.18 1.96 -2.27 0.00 0.00 179.45 179.63 1xcg h GLN 847 N 1.06 0.20 0.00 1.90 4.20 -1.03 -0.41 115.11 121.03 1xcg h GLN 847 Ca 0.35 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.89 1xcg h GLN 847 Cb 0.07 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1xcg h GLN 847 CO -0.11 0.38 -0.55 -0.09 -0.67 0.00 0.00 178.83 177.79 1xcg h ARG 848 N 0.19 0.00 0.00 1.46 2.43 -0.91 -3.36 114.38 114.19 1xcg h ARG 848 Ca 0.04 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1xcg h ARG 848 Cb 0.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1xcg h ARG 848 CO 0.03 0.55 -1.85 1.63 -1.51 0.00 0.00 179.97 178.82 1xcg n LYS 849 N -3.27 0.62 -3.86 0.20 5.02 -0.58 -4.89 118.16 111.39 1xcg n LYS 849 Ca 0.01 -0.15 -0.30 0.00 -2.02 0.00 0.00 58.31 55.86 1xcg n LYS 849 Cb 0.74 -1.42 -0.16 0.00 -0.02 0.00 0.00 35.03 34.17 1xcg n LYS 849 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xcg s GLU 850 N -3.15 1.21 0.29 1.97 2.02 -0.20 -5.01 118.70 115.84 1xcg s GLU 850 Ca -0.07 -1.00 0.05 0.00 0.02 0.00 0.00 54.97 53.97 1xcg s GLU 850 Cb 0.11 -2.42 0.74 0.00 0.10 0.00 0.00 34.13 32.65 1xcg s GLU 850 CO 0.73 -0.73 1.72 0.66 0.02 0.00 0.00 175.26 177.66 1xcg h SER 851 N 8.00 0.49 -0.52 -0.19 4.64 -1.86 0.16 113.55 124.27 1xcg h SER 851 Ca -0.15 0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.26 1xcg h SER 851 Cb 1.06 0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.20 1xcg h SER 851 CO 0.42 0.08 0.15 -0.09 -0.87 0.00 0.00 176.83 176.53 1xcg h ARG 852 N 0.51 0.82 -0.22 4.77 2.43 -1.95 0.22 114.38 120.95 1xcg h ARG 852 Ca 0.57 -0.18 -0.15 0.00 -0.81 0.00 0.00 59.98 59.41 1xcg h ARG 852 Cb 1.02 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1xcg h ARG 852 CO -0.48 0.77 -0.46 0.35 -1.51 0.00 0.00 179.97 178.64 1xcg h PHE 853 N 0.72 0.70 -0.44 2.20 3.57 -1.62 -1.10 116.94 120.97 1xcg h PHE 853 Ca 0.17 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1xcg h PHE 853 Cb 0.30 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1xcg h PHE 853 CO 0.02 0.94 0.22 0.37 -2.23 0.00 0.00 178.31 177.62 1xcg h GLN 854 N 0.46 0.63 -0.25 1.11 4.15 -0.54 -1.81 115.11 118.85 1xcg h GLN 854 Ca 0.03 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.34 1xcg h GLN 854 Cb 0.99 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.55 1xcg h GLN 854 CO 0.09 0.53 0.08 -0.07 -1.93 0.00 0.00 178.83 177.53 1xcg h LEU 855 N 0.57 0.37 -0.81 -2.39 4.07 -0.91 -2.10 115.31 114.11 1xcg h LEU 855 Ca 0.15 -0.20 0.07 0.00 0.08 0.00 0.00 57.88 57.98 1xcg h LEU 855 Cb 0.10 -0.10 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 1xcg h LEU 855 CO -0.02 0.47 0.48 0.15 -1.08 0.00 0.00 178.44 178.44 1xcg h PHE 856 N 0.24 0.89 -0.34 1.13 3.57 -1.09 -1.56 116.94 119.77 1xcg h PHE 856 Ca 0.08 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.46 1xcg h PHE 856 Cb 0.23 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1xcg h PHE 856 CO 0.00 0.42 -0.39 0.52 -2.23 0.00 0.00 178.31 176.63 1xcg h MET 857 N 0.86 0.82 -0.45 1.11 2.86 -1.16 -0.47 114.93 118.51 1xcg h MET 857 Ca 0.37 -0.43 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1xcg h MET 857 Cb 0.23 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1xcg h MET 857 CO -0.20 1.06 0.13 1.96 1.06 0.00 0.00 176.91 180.93 1xcg h GLN 858 N 0.67 0.70 0.13 1.72 4.20 -1.11 -0.10 115.11 121.31 1xcg h GLN 858 Ca 0.06 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1xcg h GLN 858 Cb 0.96 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 1xcg h GLN 858 CO 0.09 0.68 -0.13 1.49 -0.67 0.00 0.00 178.83 180.29 1xcg h GLU 859 N 0.59 -0.28 -0.36 1.46 4.81 -1.21 -2.44 114.58 117.15 1xcg h GLU 859 Ca 0.14 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1xcg h GLU 859 Cb 0.28 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 1xcg h GLU 859 CO -0.00 -0.18 0.23 0.00 -0.73 0.00 0.00 179.01 178.32 1xcg h ALA 860 N 0.56 0.46 0.00 2.92 0.00 -0.99 -2.63 119.26 119.58 1xcg h ALA 860 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xcg h ALA 860 Cb 0.28 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xcg h ALA 860 CO -0.04 -0.07 0.00 0.39 0.00 0.00 0.00 179.25 179.53 1xcg n GLU 861 N -4.82 0.44 -0.07 0.00 1.02 -0.06 -2.04 120.64 115.11 1xcg n GLU 861 Ca -0.00 0.05 0.12 0.00 -0.02 0.00 0.00 57.16 57.31 1xcg n GLU 861 Cb 0.03 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.11 1xcg n GLU 861 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1xcg n SER 862 N -1.22 3.13 -4.75 1.62 3.41 -0.92 -4.71 113.62 110.17 1xcg n SER 862 Ca 0.13 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.34 1xcg n SER 862 Cb 0.17 -0.09 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 1xcg n SER 862 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1xcg s HIS 863 N -1.82 2.96 0.29 7.33 5.04 -0.86 -4.92 115.29 123.30 1xcg s HIS 863 Ca 0.32 1.04 0.03 0.00 -1.54 0.00 0.00 55.06 54.91 1xcg s HIS 863 Cb 0.21 -3.85 0.65 0.00 0.04 0.00 0.00 32.58 29.63 1xcg s HIS 863 CO 0.31 -2.73 1.78 -1.00 -2.34 0.00 0.00 174.74 170.75 1xcg h PRO 864 N 4.72 0.73 0.00 2.88 0.13 -1.91 -1.76 132.00 136.79 1xcg h PRO 864 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1xcg h PRO 864 Cb 1.22 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1xcg h PRO 864 CO 0.76 0.48 0.01 1.04 -0.23 0.00 0.00 178.00 180.06 1xcg n GLN 865 N -4.78 0.09 0.00 0.86 6.02 -1.26 -0.77 117.38 117.53 1xcg n GLN 865 Ca 0.21 0.58 0.14 0.00 -0.01 0.00 0.00 57.00 57.92 1xcg n GLN 865 Cb 0.50 -1.79 0.61 0.00 1.02 0.00 0.00 30.24 30.58 1xcg n GLN 865 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xcg n ARG 867 N -1.38 -3.39 -1.32 0.00 1.74 0.05 -0.69 116.66 111.66 1xcg n ARG 867 Ca 0.10 0.40 -0.11 0.00 -0.77 0.00 0.00 57.85 57.46 1xcg n ARG 867 Cb 0.31 -4.91 -0.05 0.00 -1.02 0.00 0.00 32.46 26.79 1xcg n ARG 867 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xcg n ARG 868 N -4.42 -1.52 -3.87 5.56 1.74 -1.26 -4.99 116.66 107.89 1xcg n ARG 868 Ca -0.07 0.87 -0.32 0.00 -0.77 0.00 0.00 57.85 57.56 1xcg n ARG 868 Cb 0.57 -5.20 -0.04 0.00 -1.02 0.00 0.00 32.46 26.76 1xcg n ARG 868 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1xcg s LEU 869 N -2.54 4.35 0.62 0.55 1.43 0.14 -5.12 118.68 118.10 1xcg s LEU 869 Ca 0.00 0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 53.41 1xcg s LEU 869 Cb 0.00 -2.86 0.03 0.00 0.03 0.00 0.00 46.19 43.39 1xcg s LEU 869 CO 0.00 0.19 0.91 -1.10 0.23 0.00 0.00 176.35 176.58 1xcg s GLN 870 N -2.27 2.62 0.24 1.70 -0.21 -1.26 -4.85 119.66 115.63 1xcg s GLN 870 Ca 0.33 -0.22 -0.05 0.00 0.02 0.00 0.00 55.36 55.43 1xcg s GLN 870 Cb -0.13 -2.28 0.44 0.00 1.00 0.00 0.00 33.01 32.04 1xcg s GLN 870 CO 0.24 -0.87 1.71 1.25 -2.12 0.00 0.00 175.29 175.49 1xcg h LEU 871 N -0.26 0.14 -1.88 2.90 6.46 -1.97 0.15 115.31 120.85 1xcg h LEU 871 Ca -0.45 0.12 -0.03 0.00 -0.12 0.00 0.00 57.88 57.41 1xcg h LEU 871 Cb 1.28 0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 41.35 1xcg h LEU 871 CO 0.59 0.03 -0.13 0.08 -0.62 0.00 0.00 178.44 178.40 1xcg h ARG 872 N 0.35 0.00 0.05 1.25 0.11 -1.99 -0.47 114.38 113.68 1xcg h ARG 872 Ca 0.40 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 60.25 1xcg h ARG 872 Cb 0.64 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.70 1xcg h ARG 872 CO -0.44 0.13 -1.08 -0.44 0.10 0.00 0.00 179.97 178.23 1xcg h ASP 873 N 0.00 0.15 0.37 0.08 3.32 -1.14 -3.40 116.42 115.81 1xcg h ASP 873 Ca -0.00 -0.16 -0.32 0.00 0.02 0.00 0.00 57.03 56.56 1xcg h ASP 873 Cb 0.30 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1xcg h ASP 873 CO 0.02 1.13 -1.70 -0.07 -1.72 0.00 0.00 179.24 176.89 1xcg h LEU 874 N 0.03 0.31 -1.77 1.55 3.38 -0.32 -3.38 115.31 115.12 1xcg h LEU 874 Ca -0.05 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1xcg h LEU 874 Cb 1.84 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.48 1xcg h LEU 874 CO 0.16 1.47 0.00 -0.29 0.09 0.00 0.00 178.44 179.87 1xcg h ILE 875 N 0.05 0.00 -0.00 1.22 2.10 -1.32 -2.49 117.51 117.08 1xcg h ILE 875 Ca -0.30 -0.33 0.00 0.00 1.08 0.00 0.00 64.86 65.31 1xcg h ILE 875 Cb 2.02 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 39.02 1xcg h ILE 875 CO 0.12 0.00 -0.01 0.00 -1.08 0.00 0.00 178.15 177.18 1xcg n ILE 876 N -2.95 0.00 0.16 2.19 3.06 -1.26 -4.19 119.36 116.36 1xcg n ILE 876 Ca -0.00 -0.03 0.03 0.00 -2.50 0.00 0.00 62.75 60.25 1xcg n ILE 876 Cb 0.22 -0.38 0.42 0.00 0.54 0.00 0.00 39.64 40.44 1xcg n ILE 876 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 1xcg h SER 877 N 0.26 0.13 0.29 9.51 4.64 -1.70 -2.32 113.55 124.36 1xcg h SER 877 Ca 0.00 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 1xcg h SER 877 Cb 0.12 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1xcg h SER 877 CO 0.00 0.32 -0.14 -0.08 -0.87 0.00 0.00 176.83 176.07 1xcg h GLU 878 N 0.13 -0.37 -0.62 4.77 4.57 -1.84 0.51 114.58 121.73 1xcg h GLU 878 Ca 0.02 0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1xcg h GLU 878 Cb 0.40 0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.01 1xcg h GLU 878 CO 0.03 -0.21 0.30 1.98 -1.18 0.00 0.00 179.01 179.93 1xcg h MET 879 N -0.44 0.52 -0.50 1.92 4.05 -1.81 -1.98 114.93 116.69 1xcg h MET 879 Ca -0.04 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.25 1xcg h MET 879 Cb 0.33 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.00 1xcg h MET 879 CO 0.06 0.35 -0.08 1.96 0.23 0.00 0.00 176.91 179.43 1xcg h GLN 880 N 0.54 0.91 0.01 0.39 4.20 -1.09 -2.70 115.11 117.37 1xcg h GLN 880 Ca 0.29 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xcg h GLN 880 Cb 0.27 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.98 1xcg h GLN 880 CO -0.23 0.95 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.79 1xcg h ARG 881 N 0.82 -0.01 -0.86 1.46 9.65 0.42 -2.75 114.38 123.10 1xcg h ARG 881 Ca 0.14 0.00 0.23 0.00 -1.10 0.00 0.00 59.98 59.25 1xcg h ARG 881 Cb 0.60 0.00 -0.14 0.00 -1.39 0.00 0.00 29.97 29.04 1xcg h ARG 881 CO 0.04 0.13 0.20 -0.07 2.80 0.00 0.00 179.97 183.07 1xcg h LEU 882 N -0.15 -0.05 -1.59 3.80 4.07 -1.33 0.30 115.31 120.36 1xcg h LEU 882 Ca -0.00 0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.16 1xcg h LEU 882 Cb 0.15 0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.17 1xcg h LEU 882 CO 0.00 -0.16 0.00 0.71 -1.08 0.00 0.00 178.44 177.91 1xcg h THR 883 N 0.19 0.00 0.00 0.22 1.35 -1.18 -2.89 112.91 110.60 1xcg h THR 883 Ca 0.53 -0.27 -0.12 0.00 -0.55 0.00 0.00 66.41 66.00 1xcg h THR 883 Cb 1.06 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.59 1xcg h THR 883 CO -0.66 0.00 -0.85 0.11 -0.25 0.00 0.00 175.52 173.87 1xcg h LYS 884 N 0.00 0.00 -0.21 4.72 1.79 -0.84 -3.39 116.57 118.64 1xcg h LYS 884 Ca 0.00 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1xcg h LYS 884 Cb 0.30 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 1xcg h LYS 884 CO 0.00 0.41 -0.31 1.88 -1.08 0.00 0.00 179.45 180.35 1xcg h TYR 885 N 0.00 -0.85 -0.74 -1.35 0.05 -1.47 0.29 116.97 112.89 1xcg h TYR 885 Ca -0.06 0.04 0.03 0.00 0.05 0.00 0.00 58.73 58.79 1xcg h TYR 885 Cb 1.44 0.41 -0.04 0.00 1.01 0.00 0.00 36.73 39.55 1xcg h TYR 885 CO 0.00 -0.38 0.49 -1.35 -1.05 0.00 0.00 178.16 175.87 1xcg h PRO 886 N -0.34 0.88 -0.08 4.88 0.11 -1.77 0.23 132.00 135.91 1xcg h PRO 886 Ca 0.12 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.16 1xcg h PRO 886 Cb 0.53 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1xcg h PRO 886 CO -0.40 0.58 -0.00 -0.07 -0.21 0.00 0.00 178.00 177.90 1xcg h LEU 887 N 0.91 0.14 -0.85 2.35 4.07 -1.53 0.31 115.31 120.70 1xcg h LEU 887 Ca 0.29 -0.32 0.07 0.00 0.08 0.00 0.00 57.88 58.00 1xcg h LEU 887 Cb 0.04 -0.04 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 1xcg h LEU 887 CO -0.08 0.43 0.52 -0.07 -1.08 0.00 0.00 178.44 178.15 1xcg h LEU 888 N -0.16 0.80 -0.06 1.67 -0.00 0.23 -2.49 115.31 115.29 1xcg h LEU 888 Ca 0.02 0.03 -0.02 0.00 -0.00 0.00 0.00 57.88 57.91 1xcg h LEU 888 Cb 0.36 -0.14 -0.00 0.00 -0.00 0.00 0.00 40.66 40.88 1xcg h LEU 888 CO 0.00 0.50 -0.05 -0.07 -0.00 0.00 0.00 178.44 178.82 1xcg h LEU 889 N 0.93 0.14 -1.54 1.67 3.38 -0.27 -1.89 115.31 117.73 1xcg h LEU 889 Ca 0.38 -0.46 0.32 0.00 0.09 0.00 0.00 57.88 58.22 1xcg h LEU 889 Cb 0.23 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 1xcg h LEU 889 CO -0.19 0.57 0.76 -0.08 0.09 0.00 0.00 178.44 179.59 1xcg h GLU 890 N -0.28 0.22 0.00 1.13 4.81 -0.33 0.63 114.58 120.75 1xcg h GLU 890 Ca 0.01 -0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 1xcg h GLU 890 Cb 0.53 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1xcg h GLU 890 CO 0.01 0.15 -1.22 1.03 -0.73 0.00 0.00 179.01 178.25 1xcg h SER 891 N 0.23 0.00 -0.23 1.04 0.87 -1.20 -2.34 113.55 111.92 1xcg h SER 891 Ca 0.63 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 61.04 1xcg h SER 891 Cb 1.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.90 1xcg h SER 891 CO -0.24 0.82 -0.46 0.40 -0.53 0.00 0.00 176.83 176.83 1xcg h ILE 892 N 0.00 1.31 -0.96 2.23 2.04 -0.35 -3.20 117.51 118.58 1xcg h ILE 892 Ca -0.13 -1.67 0.07 0.00 1.00 0.00 0.00 64.86 64.14 1xcg h ILE 892 Cb 1.74 1.78 -0.07 0.00 -0.74 0.00 0.00 36.82 39.54 1xcg h ILE 892 CO 0.09 0.53 0.62 0.40 0.00 0.00 0.00 178.15 179.78 1xcg h ILE 893 N 0.44 1.06 -0.46 -0.67 2.04 -0.96 -2.03 117.51 116.93 1xcg h ILE 893 Ca 0.01 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1xcg h ILE 893 Cb 1.06 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 1xcg h ILE 893 CO 0.10 0.20 0.30 0.50 0.00 0.00 0.00 178.15 179.25 1xcg h LYS 894 N 1.08 0.51 -0.44 2.37 3.64 -1.41 -1.96 116.57 120.37 1xcg h LYS 894 Ca 0.42 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1xcg h LYS 894 Cb 0.22 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1xcg h LYS 894 CO -0.17 0.34 0.00 0.72 -2.27 0.00 0.00 179.45 178.07 1xcg n HIS 895 N -4.48 1.28 -4.27 1.91 8.25 -0.82 -4.93 115.22 112.17 1xcg n HIS 895 Ca 0.05 -0.73 -0.35 0.00 -0.26 0.00 0.00 57.72 56.42 1xcg n HIS 895 Cb 0.13 -0.31 -0.09 0.00 1.12 0.00 0.00 29.99 30.84 1xcg n HIS 895 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1xcg s THR 896 N -2.35 4.52 0.01 1.59 2.01 -0.74 -4.73 115.64 115.96 1xcg s THR 896 Ca 0.45 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 1xcg s THR 896 Cb 0.33 -2.93 -0.07 0.00 0.01 0.00 0.00 72.50 69.84 1xcg s THR 896 CO 0.15 0.59 1.80 -0.70 -0.69 0.00 0.00 174.62 175.78 1xcg s GLU 897 N -0.77 4.16 0.77 4.92 2.56 -1.26 -4.96 118.70 124.12 1xcg s GLU 897 Ca 0.12 2.41 -0.12 0.00 0.00 0.00 0.00 54.97 57.38 1xcg s GLU 897 Cb -0.12 -4.01 0.05 0.00 2.00 0.00 0.00 34.13 32.06 1xcg s GLU 897 CO 0.02 -0.88 1.14 0.20 -0.56 0.00 0.00 175.26 175.18 1xcg s GLY 898 N 3.71 1.61 0.00 -1.50 0.00 -1.26 -4.07 107.32 105.81 1xcg s GLY 898 Ca 0.80 -0.50 0.00 0.00 0.00 0.00 0.00 44.72 45.02 1xcg s GLY 898 CO 0.35 -0.06 0.00 0.61 0.00 0.00 0.00 173.10 174.00 1xcg n GLY 899 N -3.12 0.34 1.97 0.20 0.00 -1.26 -4.99 105.19 98.32 1xcg n GLY 899 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1xcg n GLY 899 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xcg n THR 900 N -2.40 0.00 0.09 2.61 -2.24 -1.26 -5.02 114.28 106.06 1xcg n THR 900 Ca 0.00 -1.06 -0.23 0.00 -2.27 0.00 0.00 64.05 60.49 1xcg n THR 900 Cb 0.17 -0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 67.76 1xcg n THR 900 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xcg h SER 901 N 0.20 0.66 -0.86 3.42 4.64 -1.94 -2.55 113.55 117.12 1xcg h SER 901 Ca -0.16 -0.93 0.07 0.00 -0.47 0.00 0.00 61.79 60.30 1xcg h SER 901 Cb 0.64 -0.21 -0.06 0.00 -0.31 0.00 0.00 62.40 62.46 1xcg h SER 901 CO 0.24 1.73 0.53 -0.08 -0.87 0.00 0.00 176.83 178.38 1xcg h GLU 902 N 0.04 0.92 0.27 4.77 4.57 -1.97 -0.42 114.58 122.76 1xcg h GLU 902 Ca -0.30 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 57.81 1xcg h GLU 902 Cb 2.06 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 30.44 1xcg h GLU 902 CO 0.19 0.61 -0.13 1.25 -1.18 0.00 0.00 179.01 179.75 1xcg h HIS 903 N 0.94 -0.34 -0.61 0.92 2.76 -1.79 -1.03 115.15 116.00 1xcg h HIS 903 Ca 0.39 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.65 1xcg h HIS 903 Cb 0.22 0.11 -0.08 0.00 1.55 0.00 0.00 27.41 29.22 1xcg h HIS 903 CO -0.04 -0.13 0.21 1.49 -1.30 0.00 0.00 177.93 178.16 1xcg h GLU 904 N -0.47 0.37 -0.33 5.26 4.81 -1.22 -0.58 114.58 122.41 1xcg h GLU 904 Ca -0.04 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1xcg h GLU 904 Cb 0.36 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 1xcg h GLU 904 CO 0.06 0.24 0.04 0.87 -0.73 0.00 0.00 179.01 179.49 1xcg h LYS 905 N 0.38 0.50 -0.22 1.92 1.57 -0.96 -2.00 116.57 117.77 1xcg h LYS 905 Ca 0.31 -0.09 -0.18 0.00 -1.87 0.00 0.00 60.65 58.82 1xcg h LYS 905 Cb 0.41 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 1xcg h LYS 905 CO -0.33 0.50 -0.59 -0.07 -0.57 0.00 0.00 179.45 178.39 1xcg h LEU 906 N 0.49 0.80 -1.34 2.94 3.38 -0.06 -2.44 115.31 119.08 1xcg h LEU 906 Ca 0.11 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1xcg h LEU 906 Cb 0.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1xcg h LEU 906 CO 0.00 1.21 0.29 0.00 0.09 0.00 0.00 178.44 180.04 1xcg h ARG 908 N 0.75 0.44 -0.85 0.00 2.43 -1.29 -1.58 114.38 114.29 1xcg h ARG 908 Ca 0.19 -0.29 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1xcg h ARG 908 Cb 0.02 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.57 1xcg h ARG 908 CO -0.03 0.89 0.51 0.00 -1.51 0.00 0.00 179.97 179.83 1xcg h ALA 909 N 0.55 1.30 -0.28 2.80 0.00 -1.10 0.89 119.26 123.41 1xcg h ALA 909 Ca 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xcg h ALA 909 Cb 0.88 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1xcg h ALA 909 CO 0.06 0.60 0.09 -0.09 0.00 0.00 0.00 179.25 179.92 1xcg h ARG 910 N 1.17 0.44 -0.72 0.00 2.43 -0.98 -0.83 114.38 115.88 1xcg h ARG 910 Ca 0.30 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.38 1xcg h ARG 910 Cb -0.05 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1xcg h ARG 910 CO -0.06 0.49 0.42 -0.44 -1.51 0.00 0.00 179.97 178.88 1xcg h ASP 911 N 0.30 0.87 -0.30 -3.80 3.32 -0.46 -1.45 116.42 114.90 1xcg h ASP 911 Ca 0.09 -0.05 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 1xcg h ASP 911 Cb 0.23 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 1xcg h ASP 911 CO -0.00 0.67 -0.40 1.56 -1.72 0.00 0.00 179.24 179.35 1xcg h GLN 912 N 1.00 0.80 -0.81 3.56 1.08 -0.73 -2.22 115.11 117.79 1xcg h GLN 912 Ca 0.26 -0.46 0.06 0.00 -1.45 0.00 0.00 58.65 57.06 1xcg h GLN 912 Cb -0.02 0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.38 1xcg h GLN 912 CO -0.05 1.09 0.49 0.00 -0.95 0.00 0.00 178.83 179.42 1xcg h ARG 914 N 0.89 0.40 -0.08 0.00 3.08 -1.17 -2.42 114.38 115.08 1xcg h ARG 914 Ca 0.36 -0.05 -0.17 0.00 0.07 0.00 0.00 59.98 60.19 1xcg h ARG 914 Cb 0.19 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 30.18 1xcg h ARG 914 CO -0.18 0.36 -0.62 1.49 -1.07 0.00 0.00 179.97 179.95 1xcg h GLU 915 N 0.40 0.55 -0.51 0.04 4.57 -0.45 -0.70 114.58 118.49 1xcg h GLU 915 Ca 0.10 -0.49 0.07 0.00 -1.18 0.00 0.00 59.36 57.85 1xcg h GLU 915 Cb 0.13 0.12 -0.06 0.00 -0.16 0.00 0.00 28.75 28.78 1xcg h GLU 915 CO -0.01 1.12 0.18 0.82 -1.18 0.00 0.00 179.01 179.94 1xcg h ILE 916 N 0.16 0.82 -0.60 2.32 2.04 -0.79 0.13 117.51 121.59 1xcg h ILE 916 Ca -0.06 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.67 1xcg h ILE 916 Cb 1.28 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 1xcg h ILE 916 CO 0.13 0.06 0.33 -0.07 0.00 0.00 0.00 178.15 178.60 1xcg h LEU 917 N 0.35 0.74 -0.72 1.44 3.38 -1.37 -1.31 115.31 117.83 1xcg h LEU 917 Ca 0.24 -0.09 0.15 0.00 0.09 0.00 0.00 57.88 58.27 1xcg h LEU 917 Cb 0.27 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.72 1xcg h LEU 917 CO -0.25 0.62 0.19 0.11 0.09 0.00 0.00 178.44 179.20 1xcg h LYS 918 N 0.81 0.29 -0.48 1.13 1.57 -0.44 -0.52 116.57 118.92 1xcg h LYS 918 Ca 0.21 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 1xcg h LYS 918 Cb 0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1xcg h LYS 918 CO -0.03 0.19 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.07 1xcg h TYR 919 N 0.30 0.98 -0.26 -1.35 5.03 -0.45 -1.52 116.97 119.69 1xcg h TYR 919 Ca 0.40 -0.19 -0.12 0.00 2.58 0.00 0.00 58.73 61.41 1xcg h TYR 919 Cb 0.66 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 38.69 1xcg h TYR 919 CO -0.24 0.94 -0.29 0.28 -1.32 0.00 0.00 178.16 177.53 1xcg h VAL 920 N 0.74 1.31 -0.50 1.81 2.07 -1.02 -0.44 116.25 120.23 1xcg h VAL 920 Ca 0.13 -1.47 0.10 0.00 0.82 0.00 0.00 66.70 66.28 1xcg h VAL 920 Cb 0.58 1.65 -0.10 0.00 -1.52 0.00 0.00 31.29 31.90 1xcg h VAL 920 CO 0.03 0.46 -0.19 -1.13 0.02 0.00 0.00 177.57 176.77 1xcg h ASN 921 N 0.39 -0.67 -0.77 0.57 -1.24 -1.06 -0.53 115.58 112.27 1xcg h ASN 921 Ca 0.04 0.17 -0.02 0.00 0.71 0.00 0.00 56.30 57.20 1xcg h ASN 921 Cb 0.86 0.39 -0.04 0.00 0.73 0.00 0.00 38.32 40.26 1xcg h ASN 921 CO 0.07 -0.22 0.40 -0.08 -1.29 0.00 0.00 177.43 176.31 1xcg h GLU 922 N -0.08 1.08 0.50 6.67 4.57 -1.07 0.02 114.58 126.28 1xcg h GLU 922 Ca 0.24 -0.14 -0.02 0.00 -1.18 0.00 0.00 59.36 58.25 1xcg h GLU 922 Cb 0.44 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 1xcg h GLU 922 CO -0.56 0.82 -0.24 0.00 -1.18 0.00 0.00 179.01 177.85 1xcg h ALA 923 N 1.21 -0.68 -0.48 2.92 0.00 -0.17 -1.12 119.26 120.94 1xcg h ALA 923 Ca 0.27 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.11 1xcg h ALA 923 Cb 0.06 0.26 -0.10 0.00 0.00 0.00 0.00 17.79 18.02 1xcg h ALA 923 CO -0.04 -0.84 -0.18 0.28 0.00 0.00 0.00 179.25 178.47 1xcg h VAL 924 N -0.75 0.41 -0.47 0.00 2.07 -1.07 -1.55 116.25 114.90 1xcg h VAL 924 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.55 1xcg h VAL 924 Cb 0.55 0.41 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 1xcg h VAL 924 CO 0.11 0.00 -0.16 0.50 0.02 0.00 0.00 177.57 178.05 1xcg h LYS 925 N -0.07 -0.05 -0.05 1.57 3.64 -0.70 -1.58 116.57 119.33 1xcg h LYS 925 Ca 0.23 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.59 1xcg h LYS 925 Cb 0.43 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 1xcg h LYS 925 CO -0.53 -0.03 -0.05 1.96 -2.27 0.00 0.00 179.45 178.52 1xcg h GLN 926 N -0.05 0.12 -0.70 1.90 1.08 -0.51 0.30 115.11 117.25 1xcg h GLN 926 Ca 0.22 -0.06 0.10 0.00 -1.45 0.00 0.00 58.65 57.46 1xcg h GLN 926 Cb 0.39 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.75 1xcg h GLN 926 CO -0.51 0.58 0.33 1.15 -0.95 0.00 0.00 178.83 179.43 1xcg h THR 927 N -0.34 0.80 -0.21 -0.54 2.02 -1.26 -1.39 112.91 111.98 1xcg h THR 927 Ca 0.01 -0.19 -0.17 0.00 0.77 0.00 0.00 66.41 66.83 1xcg h THR 927 Cb 0.56 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.18 1xcg h THR 927 CO 0.01 0.10 -0.57 -0.33 0.37 0.00 0.00 175.52 175.10 1xcg h GLU 928 N 0.54 0.67 -0.23 6.66 5.08 -1.19 -2.84 114.58 123.28 1xcg h GLU 928 Ca 0.36 -0.44 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1xcg h GLU 928 Cb 0.42 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1xcg h GLU 928 CO -0.30 1.06 -0.29 -0.91 -1.00 0.00 0.00 179.01 177.57 1xcg h ASN 929 N 0.51 0.47 0.24 1.42 4.21 -0.45 0.12 115.58 122.09 1xcg h ASN 929 Ca 0.00 -0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.33 1xcg h ASN 929 Cb 1.14 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 38.22 1xcg h ASN 929 CO 0.11 0.74 -0.11 0.03 -1.29 0.00 0.00 177.43 176.92 1xcg h ARG 930 N 0.40 -0.31 -0.80 0.81 3.08 -1.25 0.19 114.38 116.50 1xcg h ARG 930 Ca 0.05 0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.24 1xcg h ARG 930 Cb 0.72 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.76 1xcg h ARG 930 CO 0.06 0.06 0.41 1.25 -1.07 0.00 0.00 179.97 180.68 1xcg h HIS 931 N -0.80 0.73 -0.61 3.04 2.76 -1.49 0.46 115.15 119.24 1xcg h HIS 931 Ca -0.03 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 1xcg h HIS 931 Cb 0.51 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.24 1xcg h HIS 931 CO 0.05 0.22 0.30 -0.09 -1.30 0.00 0.00 177.93 177.12 1xcg h ARG 932 N 0.64 0.87 -0.17 5.26 2.43 -0.69 -2.17 114.38 120.56 1xcg h ARG 932 Ca 0.41 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 59.26 1xcg h ARG 932 Cb 0.51 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1xcg h ARG 932 CO -0.31 0.69 -0.70 -0.07 -1.51 0.00 0.00 179.97 178.07 1xcg h LEU 933 N 0.83 0.85 -0.47 3.80 3.38 0.76 -1.78 115.31 122.68 1xcg h LEU 933 Ca 0.21 -0.52 0.09 0.00 0.09 0.00 0.00 57.88 57.75 1xcg h LEU 933 Cb 0.10 -0.25 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 1xcg h LEU 933 CO -0.03 1.31 -0.01 -0.33 0.09 0.00 0.00 178.44 179.47 1xcg h GLU 934 N 0.52 0.10 0.00 1.13 5.08 -0.11 0.16 114.58 121.45 1xcg h GLU 934 Ca -0.03 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1xcg h GLU 934 Cb 1.31 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 1xcg h GLU 934 CO 0.14 0.06 -0.12 0.78 -1.00 0.00 0.00 179.01 178.88 1xcg h GLY 935 N 0.10 0.00 1.46 -3.84 0.00 -1.22 -2.59 103.07 96.98 1xcg h GLY 935 Ca 0.24 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.32 1xcg h GLY 935 CO -0.40 0.00 -1.04 -0.97 0.00 0.00 0.00 176.54 174.13 1xcg h TYR 936 N 0.00 0.72 -0.13 5.60 -1.99 -0.27 -3.30 116.97 117.60 1xcg h TYR 936 Ca -0.00 -0.42 0.02 0.00 2.00 0.00 0.00 58.73 60.33 1xcg h TYR 936 Cb 0.22 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.86 1xcg h TYR 936 CO 0.00 1.25 0.02 0.37 -0.00 0.00 0.00 178.16 179.81 1xcg h GLN 937 N 0.24 0.08 0.00 4.88 5.75 -0.37 -1.20 115.11 124.49 1xcg h GLN 937 Ca -0.11 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.39 1xcg h GLN 937 Cb 1.69 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 30.23 1xcg h GLN 937 CO 0.19 0.05 0.00 1.63 -2.65 0.00 0.00 178.83 178.05 1xcg n LYS 938 N -5.08 0.27 0.00 1.69 5.02 -1.05 -1.34 118.16 117.66 1xcg n LYS 938 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1xcg n LYS 938 Cb 0.06 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 1xcg n LYS 938 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xcg n ARG 939 N -0.67 0.06 -2.61 1.97 1.74 -0.76 -5.06 116.66 111.32 1xcg n ARG 939 Ca 0.02 -0.33 -0.42 0.00 -0.77 0.00 0.00 57.85 56.35 1xcg n ARG 939 Cb 0.01 -0.64 -0.03 0.00 -1.02 0.00 0.00 32.46 30.79 1xcg n ARG 939 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1xcg s LEU 940 N -0.08 4.26 -0.42 0.55 0.20 -0.45 -1.18 118.68 121.55 1xcg s LEU 940 Ca 0.00 1.62 -0.07 0.00 0.69 0.00 0.00 54.13 56.37 1xcg s LEU 940 Cb 0.00 -3.56 0.10 0.00 -0.43 0.00 0.00 46.19 42.30 1xcg s LEU 940 CO 0.00 -0.49 0.25 -0.62 -0.29 0.00 0.00 176.35 175.20 1xcg s ASP 941 N 1.22 5.49 -0.45 3.68 3.68 0.10 -4.97 116.67 125.42 1xcg s ASP 941 Ca 0.51 -1.78 0.04 0.00 2.13 0.00 0.00 52.55 53.45 1xcg s ASP 941 Cb -0.20 -1.93 0.43 0.00 -1.45 0.00 0.00 42.92 39.77 1xcg s ASP 941 CO 0.19 -0.57 1.35 0.00 0.13 0.00 0.00 175.17 176.27 1xcg n ALA 942 N 4.79 5.35 0.67 3.66 0.00 -1.26 -2.43 120.51 131.30 1xcg n ALA 942 Ca -0.07 -3.99 0.07 0.00 0.00 0.00 0.00 53.44 49.45 1xcg n ALA 942 Cb 0.42 -0.75 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 1xcg n ALA 942 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xcg n THR 943 N -0.63 0.00 1.80 0.00 -2.24 -1.26 -3.94 114.28 108.01 1xcg n THR 943 Ca 0.45 -0.20 0.08 0.00 -2.27 0.00 0.00 64.05 62.12 1xcg n THR 943 Cb 0.74 1.03 0.42 0.00 -2.10 0.00 0.00 70.33 70.43 1xcg n THR 943 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xcg n ALA 944 N -1.11 2.57 -0.01 6.98 0.00 -1.26 -3.60 120.51 124.08 1xcg n ALA 944 Ca 0.03 -0.20 0.01 0.00 0.00 0.00 0.00 53.44 53.29 1xcg n ALA 944 Cb 0.24 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1xcg n ALA 944 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xcg n LEU 945 N -0.47 0.00 0.26 0.00 7.94 -1.25 -4.28 117.00 119.19 1xcg n LEU 945 Ca 0.12 0.00 0.13 0.00 -1.11 0.00 0.00 56.01 55.16 1xcg n LEU 945 Cb 0.12 0.05 0.81 0.00 0.53 0.00 0.00 43.42 44.93 1xcg n LEU 945 CO 0.09 0.05 1.12 -0.33 -1.11 0.00 0.00 177.39 177.21 1xcg h GLU 946 N 0.00 0.00 -1.33 1.96 5.08 -1.69 -2.32 114.58 116.28 1xcg h GLU 946 Ca -0.06 0.00 -0.40 0.00 -1.00 0.00 0.00 59.36 57.91 1xcg h GLU 946 Cb 0.67 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 29.54 1xcg h GLU 946 CO 0.00 0.00 -1.12 2.89 -1.00 0.00 0.00 179.01 179.78 1xcg n ARG 947 N -4.08 1.07 -1.27 2.33 1.85 -1.26 -5.04 116.66 110.26 1xcg n ARG 947 Ca -0.02 -3.18 -0.30 0.00 -1.00 0.00 0.00 57.85 53.36 1xcg n ARG 947 Cb 0.15 -1.37 0.21 0.00 -1.05 0.00 0.00 32.46 30.40 1xcg n ARG 947 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1xcg s ALA 948 N -2.52 1.00 -0.31 2.89 0.00 -0.87 -5.00 121.76 116.95 1xcg s ALA 948 Ca 0.32 -0.88 0.23 0.00 0.00 0.00 0.00 51.96 51.63 1xcg s ALA 948 Cb 0.40 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1xcg s ALA 948 CO -0.02 -3.21 0.97 0.43 0.00 0.00 0.00 175.76 173.93 1xcg n SER 949 N -4.45 0.65 -4.61 0.00 7.64 -1.26 -4.87 113.62 106.73 1xcg n SER 949 Ca 0.12 0.16 -0.40 0.00 1.01 0.00 0.00 58.87 59.76 1xcg n SER 949 Cb 0.59 0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 64.45 1xcg n SER 949 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1xcg s ASN 950 N -4.85 6.36 0.25 6.43 3.84 -1.26 -4.99 114.94 120.71 1xcg s ASN 950 Ca -0.00 0.42 -0.04 0.00 0.21 0.00 0.00 52.86 53.44 1xcg s ASN 950 Cb 0.11 -2.25 0.47 0.00 -0.55 0.00 0.00 41.25 39.03 1xcg s ASN 950 CO 0.81 -0.26 1.72 -0.65 -2.79 0.00 0.00 177.10 175.93 1xcg h PRO 951 N 8.09 0.40 -0.12 0.43 0.11 -1.96 -2.30 132.00 136.66 1xcg h PRO 951 Ca -0.30 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.67 1xcg h PRO 951 Cb 1.15 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 1xcg h PRO 951 CO 0.69 0.27 -0.46 -0.07 -0.21 0.00 0.00 178.00 178.21 1xcg h LEU 952 N 0.41 0.31 -0.48 2.35 4.07 -1.98 -3.08 115.31 116.91 1xcg h LEU 952 Ca 0.42 -0.14 -0.10 0.00 0.08 0.00 0.00 57.88 58.13 1xcg h LEU 952 Cb 0.66 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.30 1xcg h LEU 952 CO -0.42 0.73 -0.50 0.00 -1.08 0.00 0.00 178.44 177.17 1xcg h ALA 953 N 1.28 0.80 -0.96 1.53 0.00 -1.78 -3.29 119.26 116.84 1xcg h ALA 953 Ca 0.01 -0.45 0.19 0.00 0.00 0.00 0.00 54.91 54.67 1xcg h ALA 953 Cb 0.91 -0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.51 1xcg h ALA 953 CO 0.07 0.62 0.54 0.00 0.00 0.00 0.00 179.25 180.49 1xcg h ALA 954 N 1.50 1.57 0.00 0.00 0.00 -1.39 -2.23 119.26 118.71 1xcg h ALA 954 Ca -0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xcg h ALA 954 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1xcg h ALA 954 CO 0.06 -0.13 0.00 -0.85 0.00 0.00 0.00 179.25 178.33 1xcg n GLU 955 N -4.85 0.65 -0.10 0.00 0.28 -1.24 -2.21 120.64 113.17 1xcg n GLU 955 Ca 0.22 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.32 1xcg n GLU 955 Cb 0.58 -1.30 0.14 0.00 1.43 0.00 0.00 31.44 32.30 1xcg n GLU 955 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1xcg n PHE 956 N -0.80 0.10 0.16 -1.84 3.72 -0.84 -4.74 117.46 113.22 1xcg n PHE 956 Ca 0.09 -0.95 0.18 0.00 -0.05 0.00 0.00 57.45 56.73 1xcg n PHE 956 Cb 0.04 -0.16 0.79 0.00 -0.94 0.00 0.00 39.48 39.22 1xcg n PHE 956 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1xcg h LYS 957 N 0.20 0.00 -1.93 -1.08 2.10 -1.59 -2.70 116.57 111.57 1xcg h LYS 957 Ca 0.00 0.00 -0.52 0.00 -2.00 0.00 0.00 60.65 58.13 1xcg h LYS 957 Cb 1.01 0.00 -0.41 0.00 -0.90 0.00 0.00 32.23 31.93 1xcg h LYS 957 CO 0.02 0.00 -0.95 -1.13 -2.00 0.00 0.00 179.45 175.39 1xcg n SER 958 N -3.78 2.63 -0.00 7.07 3.41 -1.26 -4.72 113.62 116.97 1xcg n SER 958 Ca 0.04 -3.29 -0.15 0.00 -0.26 0.00 0.00 58.87 55.21 1xcg n SER 958 Cb 0.44 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.72 1xcg n SER 958 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1xcg h LEU 959 N 2.95 -1.66 -2.26 1.04 6.46 -1.83 -3.48 115.31 116.53 1xcg h LEU 959 Ca 0.11 0.19 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 1xcg h LEU 959 Cb 0.82 0.64 -0.04 0.00 -0.73 0.00 0.00 40.66 41.36 1xcg h LEU 959 CO 0.65 -0.47 -0.99 -0.67 -0.62 0.00 0.00 178.44 176.34 1xcg n ASP 960 N -5.32 -4.85 0.07 1.25 -0.08 -1.26 -4.91 116.55 101.45 1xcg n ASP 960 Ca -0.06 1.16 0.12 0.00 -1.51 0.00 0.00 54.79 54.50 1xcg n ASP 960 Cb 0.37 -4.56 0.46 0.00 2.34 0.00 0.00 41.12 39.73 1xcg n ASP 960 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1xcg n LEU 961 N 0.85 0.42 0.26 -2.67 4.77 -1.26 -3.54 117.00 115.84 1xcg n LEU 961 Ca -0.12 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.57 1xcg n LEU 961 Cb 0.18 -0.46 0.71 0.00 -2.33 0.00 0.00 43.42 41.52 1xcg n LEU 961 CO 0.36 -0.25 0.96 0.74 -1.33 0.00 0.00 177.39 177.87 1xcg h THR 962 N 0.00 0.38 -0.01 -5.08 2.02 -1.91 -2.93 112.91 105.38 1xcg h THR 962 Ca 0.00 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1xcg h THR 962 Cb 0.49 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1xcg h THR 962 CO 0.00 0.10 -0.34 0.35 0.37 0.00 0.00 175.52 176.00 1xcg n THR 963 N -3.40 0.00 -4.26 3.16 -2.24 -1.23 -4.86 114.28 101.45 1xcg n THR 963 Ca -0.01 -0.14 -0.25 0.00 -2.27 0.00 0.00 64.05 61.37 1xcg n THR 963 Cb 0.28 0.59 -0.08 0.00 -2.10 0.00 0.00 70.33 69.02 1xcg n THR 963 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xcg s ARG 964 N -2.55 2.28 -0.08 -0.78 0.52 -1.11 -5.13 118.95 112.10 1xcg s ARG 964 Ca 0.22 -1.26 -0.03 0.00 -0.52 0.00 0.00 55.73 54.14 1xcg s ARG 964 Cb 0.19 -2.24 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 1xcg s ARG 964 CO 0.55 0.42 0.08 -1.59 0.02 0.00 0.00 175.30 174.78 1xcg s LYS 965 N -3.17 3.18 -0.07 3.54 -2.85 -1.26 -4.98 119.74 114.13 1xcg s LYS 965 Ca 0.28 -0.32 -0.18 0.00 -1.00 0.00 0.00 55.97 54.75 1xcg s LYS 965 Cb -0.08 -2.96 -0.05 0.00 -2.06 0.00 0.00 37.83 32.68 1xcg s LYS 965 CO 0.18 0.72 0.48 1.41 0.10 0.00 0.00 175.35 178.24 1xcg s MET 966 N -1.16 4.26 -0.21 1.78 -2.45 -1.26 -1.31 119.30 118.94 1xcg s MET 966 Ca 0.16 0.49 -0.18 0.00 -1.25 0.00 0.00 55.69 54.91 1xcg s MET 966 Cb -0.12 -3.38 -0.19 0.00 1.25 0.00 0.00 34.83 32.39 1xcg s MET 966 CO 0.06 0.30 0.15 -0.89 1.05 0.00 0.00 175.02 175.68 1xcg n ILE 967 N 3.15 1.57 -3.56 10.11 2.08 0.12 -4.94 119.36 127.87 1xcg n ILE 967 Ca -0.08 -0.16 -0.12 0.00 0.56 0.00 0.00 62.75 62.94 1xcg n ILE 967 Cb 0.52 -1.97 -0.04 0.00 -0.75 0.00 0.00 39.64 37.39 1xcg n ILE 967 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 1xcg s HIS 968 N -2.41 -0.37 0.03 1.39 2.46 -0.95 -5.02 115.29 110.42 1xcg s HIS 968 Ca -0.30 0.22 -0.14 0.00 0.47 0.00 0.00 55.06 55.31 1xcg s HIS 968 Cb 0.07 0.36 0.02 0.00 -0.13 0.00 0.00 32.58 32.90 1xcg s HIS 968 CO 0.60 -0.71 0.31 -1.83 -2.47 0.00 0.00 174.74 170.63 1xcg s GLU 969 N -3.25 0.78 0.00 2.88 -1.05 -1.26 0.17 118.70 116.97 1xcg s GLU 969 Ca -0.01 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.37 1xcg s GLU 969 Cb 0.00 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1xcg s GLU 969 CO -0.08 -0.24 0.00 0.41 0.95 0.00 0.00 175.26 176.29 1xcg n GLY 970 N 0.72 1.23 3.76 -3.83 0.00 -0.74 -5.00 105.19 101.32 1xcg n GLY 970 Ca -0.19 -0.65 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1xcg n GLY 970 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xcg s PRO 971 N -2.00 4.52 -0.14 1.61 0.04 -1.26 -1.12 135.00 136.65 1xcg s PRO 971 Ca 0.00 1.94 -0.09 0.00 0.04 0.00 0.00 61.00 62.89 1xcg s PRO 971 Cb 0.00 -3.17 0.05 0.00 0.04 0.00 0.00 34.50 31.42 1xcg s PRO 971 CO 0.00 0.02 0.35 -0.51 0.04 0.00 0.00 177.00 176.90 1xcg s LEU 972 N -1.21 0.20 0.06 -3.56 1.02 0.96 -4.57 118.68 111.57 1xcg s LEU 972 Ca 0.48 0.75 -0.21 0.00 0.02 0.00 0.00 54.13 55.17 1xcg s LEU 972 Cb -0.34 1.14 -0.06 0.00 0.02 0.00 0.00 46.19 46.95 1xcg s LEU 972 CO 0.43 -0.17 0.62 0.42 0.02 0.00 0.00 176.35 177.67 1xcg s THR 973 N 1.12 4.74 -0.21 5.49 -4.23 -0.56 -0.16 115.64 121.82 1xcg s THR 973 Ca -0.08 1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 61.69 1xcg s THR 973 Cb -0.08 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.78 1xcg s THR 973 CO -0.09 0.50 0.03 0.86 -0.54 0.00 0.00 174.62 175.38 1xcg s TRP 974 N -0.79 3.08 -1.07 3.99 -0.00 0.34 -0.04 118.94 124.46 1xcg s TRP 974 Ca 0.31 -0.38 -0.04 0.00 -0.00 0.00 0.00 56.10 56.00 1xcg s TRP 974 Cb -0.20 -2.14 0.31 0.00 -0.00 0.00 0.00 33.47 31.45 1xcg s TRP 974 CO 0.20 -0.23 1.52 0.54 -0.00 0.00 0.00 176.95 178.97 1xcg n ARG 975 N 4.39 4.58 -0.20 5.86 1.74 0.07 -0.26 116.66 132.83 1xcg n ARG 975 Ca -0.17 -4.57 0.00 0.00 -0.77 0.00 0.00 57.85 52.34 1xcg n ARG 975 Cb 0.52 -2.50 0.11 0.00 -1.02 0.00 0.00 32.46 29.57 1xcg n ARG 975 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1xcg h ILE 976 N 3.28 0.75 -3.52 0.55 2.04 -1.81 -3.41 117.51 115.40 1xcg h ILE 976 Ca 0.24 -0.13 -0.54 0.00 1.00 0.00 0.00 64.86 65.42 1xcg h ILE 976 Cb 0.58 0.32 -0.13 0.00 -0.74 0.00 0.00 36.82 36.85 1xcg h ILE 976 CO 1.32 0.07 -0.49 -0.94 0.00 0.00 0.00 178.15 178.11 1xcg s SER 977 N -5.37 2.47 0.14 1.72 1.04 -1.23 -4.98 113.70 107.49 1xcg s SER 977 Ca -0.13 -1.76 -0.19 0.00 0.48 0.00 0.00 55.95 54.36 1xcg s SER 977 Cb 0.17 0.60 -0.07 0.00 0.10 0.00 0.00 66.02 66.82 1xcg s SER 977 CO 0.74 -1.03 0.63 -0.75 0.98 0.00 0.00 173.24 173.81 1xcg s LYS 978 N -3.55 4.20 0.00 4.02 2.36 -1.26 -3.92 119.74 121.58 1xcg s LYS 978 Ca 0.29 0.76 0.00 0.00 -2.55 0.00 0.00 55.97 54.47 1xcg s LYS 978 Cb 0.02 -3.07 0.00 0.00 -1.05 0.00 0.00 37.83 33.73 1xcg s LYS 978 CO 0.20 0.53 0.00 -0.25 1.55 0.00 0.00 175.35 177.38 1xcg n ASP 979 N 1.21 -2.87 -3.65 1.43 9.92 -1.26 -5.02 116.55 116.31 1xcg n ASP 979 Ca -0.06 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.17 1xcg n ASP 979 Cb 0.51 -0.48 -0.05 0.00 -0.64 0.00 0.00 41.12 40.46 1xcg n ASP 979 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1xcg s LYS 980 N -0.51 0.52 0.09 -1.24 2.20 -1.25 -5.17 119.74 114.38 1xcg s LYS 980 Ca 0.00 1.35 0.09 0.00 -0.36 0.00 0.00 55.97 57.05 1xcg s LYS 980 Cb 0.00 0.73 -0.03 0.00 -1.51 0.00 0.00 37.83 37.02 1xcg s LYS 980 CO 0.00 -0.21 -0.24 -0.08 -0.36 0.00 0.00 175.35 174.46 1xcg s THR 981 N 2.81 2.00 -0.06 3.43 -1.32 -1.26 -3.58 115.64 117.66 1xcg s THR 981 Ca -0.05 -1.55 0.03 0.00 -1.21 0.00 0.00 61.69 58.91 1xcg s THR 981 Cb -0.12 -1.77 0.01 0.00 -1.51 0.00 0.00 72.50 69.11 1xcg s THR 981 CO -0.17 0.11 -0.15 -0.76 -2.21 0.00 0.00 174.62 171.44 1xcg s LEU 982 N -1.75 1.78 -0.56 9.08 1.43 0.64 -4.94 118.68 124.35 1xcg s LEU 982 Ca 0.11 -0.33 -0.23 0.00 -1.03 0.00 0.00 54.13 52.65 1xcg s LEU 982 Cb -0.10 -0.91 0.05 0.00 0.03 0.00 0.00 46.19 45.27 1xcg s LEU 982 CO 0.04 0.08 0.87 -1.81 0.23 0.00 0.00 176.35 175.77 1xcg s ASP 983 N 0.42 6.28 0.15 2.29 1.11 -1.26 0.13 116.67 125.78 1xcg s ASP 983 Ca -0.11 -0.63 0.05 0.00 0.18 0.00 0.00 52.55 52.04 1xcg s ASP 983 Cb -0.14 -2.40 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 1xcg s ASP 983 CO 0.04 -1.19 0.12 -0.76 1.18 0.00 0.00 175.17 174.55 1xcg s LEU 984 N 3.65 3.78 -0.27 1.23 1.43 0.78 -4.08 118.68 125.20 1xcg s LEU 984 Ca 0.25 -0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.21 1xcg s LEU 984 Cb -0.15 -2.40 0.03 0.00 0.03 0.00 0.00 46.19 43.70 1xcg s LEU 984 CO 0.15 0.09 -0.03 -2.28 0.23 0.00 0.00 176.35 174.52 1xcg s HIS 985 N -1.67 3.13 -0.01 0.29 5.65 -0.62 -0.03 115.29 122.03 1xcg s HIS 985 Ca 0.30 -1.58 -0.00 0.00 0.25 0.00 0.00 55.06 54.03 1xcg s HIS 985 Cb -0.10 -2.09 -0.04 0.00 -1.18 0.00 0.00 32.58 29.16 1xcg s HIS 985 CO 0.23 -0.73 0.06 0.14 -0.65 0.00 0.00 174.74 173.78 1xcg s VAL 986 N 1.32 4.56 -0.16 0.89 -7.23 -0.28 -1.94 120.40 117.57 1xcg s VAL 986 Ca -0.01 -0.45 -0.03 0.00 -1.81 0.00 0.00 61.98 59.68 1xcg s VAL 986 Cb -0.18 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.68 1xcg s VAL 986 CO -0.03 0.37 -0.05 -0.76 -0.31 0.00 0.00 175.10 174.33 1xcg s LEU 987 N -1.63 3.10 -0.47 1.32 1.43 -0.12 -1.80 118.68 120.51 1xcg s LEU 987 Ca 0.21 -0.21 -0.17 0.00 -1.03 0.00 0.00 54.13 52.94 1xcg s LEU 987 Cb -0.12 -1.75 0.05 0.00 0.03 0.00 0.00 46.19 44.41 1xcg s LEU 987 CO 0.12 0.13 0.45 -0.22 0.23 0.00 0.00 176.35 177.06 1xcg s LEU 988 N 0.57 5.27 0.57 1.79 0.20 0.13 -0.68 118.68 126.54 1xcg s LEU 988 Ca -0.04 -1.07 0.10 0.00 0.69 0.00 0.00 54.13 53.81 1xcg s LEU 988 Cb -0.15 -2.28 0.09 0.00 -0.43 0.00 0.00 46.19 43.42 1xcg s LEU 988 CO 0.03 -0.68 0.78 -0.76 -0.29 0.00 0.00 176.35 175.43 1xcg s LEU 989 N 1.98 3.08 0.15 -0.68 1.43 0.31 0.11 118.68 125.05 1xcg s LEU 989 Ca 0.08 -0.87 -0.27 0.00 -1.03 0.00 0.00 54.13 52.04 1xcg s LEU 989 Cb -0.21 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1xcg s LEU 989 CO 0.10 -1.34 1.58 -0.08 0.23 0.00 0.00 176.35 176.84 1xcg h GLU 990 N 0.20 -0.36 -0.01 1.70 4.81 -1.57 -3.28 114.58 116.07 1xcg h GLU 990 Ca -0.30 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.95 1xcg h GLU 990 Cb 1.29 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1xcg h GLU 990 CO 0.41 -0.24 0.00 -0.40 -0.73 0.00 0.00 179.01 178.06 1xcg n ASP 991 N -5.42 1.62 -4.01 1.04 5.75 -1.26 -4.80 116.55 109.47 1xcg n ASP 991 Ca -0.02 -1.57 -0.11 0.00 -0.01 0.00 0.00 54.79 53.08 1xcg n ASP 991 Cb 0.35 -0.01 -0.11 0.00 -1.03 0.00 0.00 41.12 40.32 1xcg n ASP 991 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1xcg s LEU 992 N -0.58 2.24 -0.22 -2.12 1.43 -1.24 -2.49 118.68 115.70 1xcg s LEU 992 Ca 0.01 -0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 1xcg s LEU 992 Cb 0.01 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.19 1xcg s LEU 992 CO 0.01 -0.24 -0.03 -0.22 0.23 0.00 0.00 176.35 176.09 1xcg s LEU 993 N -1.45 2.94 -0.25 1.79 2.96 0.65 -0.53 118.68 124.80 1xcg s LEU 993 Ca -0.13 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 1xcg s LEU 993 Cb -0.10 -1.75 0.03 0.00 0.50 0.00 0.00 46.19 44.87 1xcg s LEU 993 CO -0.00 -0.01 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.25 1xcg s VAL 994 N 1.45 2.75 -0.62 1.68 1.01 0.14 -0.98 120.40 125.82 1xcg s VAL 994 Ca 0.05 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.75 1xcg s VAL 994 Cb -0.14 -2.42 0.13 0.00 0.00 0.00 0.00 36.38 33.95 1xcg s VAL 994 CO -0.02 0.18 0.67 -0.76 0.00 0.00 0.00 175.10 175.16 1xcg s LEU 995 N 1.29 5.80 -0.02 3.92 1.43 -0.09 -0.94 118.68 130.08 1xcg s LEU 995 Ca -0.01 -1.74 -0.09 0.00 -1.03 0.00 0.00 54.13 51.26 1xcg s LEU 995 Cb -0.17 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.74 1xcg s LEU 995 CO -0.05 -0.96 0.29 -0.76 0.23 0.00 0.00 176.35 175.10 1xcg s LEU 996 N 2.02 4.40 -0.25 1.79 1.43 -0.82 -4.64 118.68 122.61 1xcg s LEU 996 Ca 0.11 0.67 -0.13 0.00 -1.03 0.00 0.00 54.13 53.75 1xcg s LEU 996 Cb -0.23 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 1xcg s LEU 996 CO 0.02 0.30 0.27 -1.58 0.23 0.00 0.00 176.35 175.59 1xcg s GLN 997 N -1.43 4.04 0.29 1.70 0.74 -0.92 -1.59 119.66 122.50 1xcg s GLN 997 Ca 0.24 -0.12 -0.29 0.00 0.05 0.00 0.00 55.36 55.24 1xcg s GLN 997 Cb -0.14 -3.60 -0.10 0.00 1.10 0.00 0.00 33.01 30.27 1xcg s GLN 997 CO 0.13 -0.11 1.24 0.15 -0.55 0.00 0.00 175.29 176.15 1xcg s LYS 998 N 1.56 4.45 0.00 1.67 1.02 -1.26 -2.73 119.74 124.45 1xcg s LYS 998 Ca 0.11 2.06 0.00 0.00 0.02 0.00 0.00 55.97 58.16 1xcg s LYS 998 Cb -0.15 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1xcg s LYS 998 CO 0.08 -0.07 0.00 0.94 -0.92 0.00 0.00 175.35 175.38 1xcg n GLN 999 N 1.23 0.00 0.00 1.68 -0.06 -0.68 -5.01 117.38 114.54 1xcg n GLN 999 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1xcg n GLN 999 Cb 0.43 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.61 1xcg n GLN 999 CO 0.00 0.00 0.00 -0.25 -0.20 0.00 0.00 177.06 176.61 1xcg n ASP 1000N 0.00 0.00 -1.21 1.69 8.00 -1.26 -4.86 116.55 118.91 1xcg n ASP 1000Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 1xcg n ASP 1000Cb 0.00 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.39 1xcg n ASP 1000CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1xcg n GLU 1001N -0.42 3.00 -4.47 -1.24 4.07 -1.26 -4.99 120.64 115.33 1xcg n GLU 1001Ca 0.00 -2.57 -0.34 0.00 -0.06 0.00 0.00 57.16 54.19 1xcg n GLU 1001Cb 0.00 -1.58 -0.11 0.00 -0.06 0.00 0.00 31.44 29.69 1xcg n GLU 1001CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1xcg s LYS 1002N -1.26 3.14 -0.17 5.31 2.20 -1.26 -4.82 119.74 122.87 1xcg s LYS 1002Ca 0.43 -0.49 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1xcg s LYS 1002Cb 0.24 -2.77 0.01 0.00 -1.51 0.00 0.00 37.83 33.81 1xcg s LYS 1002CO 0.26 0.53 -0.18 -0.51 -0.36 0.00 0.00 175.35 175.10 1xcg s LEU 1003N -0.44 2.26 -0.10 5.43 1.43 -0.32 -1.69 118.68 125.25 1xcg s LEU 1003Ca 0.07 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1xcg s LEU 1003Cb -0.12 -1.52 0.01 0.00 0.03 0.00 0.00 46.19 44.60 1xcg s LEU 1003CO 0.02 0.02 -0.15 -1.48 0.23 0.00 0.00 176.35 175.00 1xcg s LEU 1004N 1.17 1.71 -0.06 1.79 0.05 -1.10 0.02 118.68 122.25 1xcg s LEU 1004Ca 0.02 -0.41 -0.13 0.00 0.05 0.00 0.00 54.13 53.66 1xcg s LEU 1004Cb -0.14 -1.05 -0.05 0.00 -2.05 0.00 0.00 46.19 42.90 1xcg s LEU 1004CO -0.08 0.02 0.33 -1.48 -0.55 0.00 0.00 176.35 174.59 1xcg s LEU 1005N 0.94 4.40 0.20 1.48 0.05 -1.02 -2.16 118.68 122.57 1xcg s LEU 1005Ca -0.08 0.76 -0.20 0.00 0.05 0.00 0.00 54.13 54.67 1xcg s LEU 1005Cb -0.15 -2.44 0.04 0.00 -2.05 0.00 0.00 46.19 41.59 1xcg s LEU 1005CO -0.01 0.29 0.57 -1.59 -0.55 0.00 0.00 176.35 175.06 1xcg s LYS 1006N -0.69 1.40 0.50 1.48 -2.85 -1.26 -4.57 119.74 113.75 1xcg s LYS 1006Ca 0.21 -0.77 -0.19 0.00 -1.00 0.00 0.00 55.97 54.22 1xcg s LYS 1006Cb -0.15 0.55 -0.08 0.00 -2.06 0.00 0.00 37.83 36.09 1xcg s LYS 1006CO 0.09 -0.61 1.02 0.00 0.10 0.00 0.00 175.35 175.95 1xcg s HIS 1008N -2.18 1.77 0.42 0.00 0.09 -0.91 -4.96 115.29 109.51 1xcg s HIS 1008Ca 0.65 -0.37 -0.22 0.00 -0.00 0.00 0.00 55.06 55.12 1xcg s HIS 1008Cb -0.14 -1.07 -0.10 0.00 -0.00 0.00 0.00 32.58 31.27 1xcg s HIS 1008CO 0.23 0.07 0.97 -1.12 -0.00 0.00 0.00 174.74 174.88 1xcg s SER 1009N -1.06 6.91 -0.14 1.40 0.01 -1.26 -2.51 113.70 117.06 1xcg s SER 1009Ca 0.07 1.76 -0.10 0.00 1.31 0.00 0.00 55.95 58.99 1xcg s SER 1009Cb -0.09 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.53 1xcg s SER 1009CO 0.01 -0.38 -0.23 1.17 0.41 0.00 0.00 173.24 174.23 1xcg n LYS 1010N -0.47 0.36 -4.18 12.44 0.00 -1.26 -4.93 118.16 120.12 1xcg n LYS 1010Ca 0.06 0.15 -0.19 0.00 0.00 0.00 0.00 58.31 58.34 1xcg n LYS 1010Cb 0.53 -1.12 -0.16 0.00 0.00 0.00 0.00 35.03 34.28 1xcg n LYS 1010CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1xcg s THR 1021N -2.43 0.52 0.29 3.15 -4.23 -1.26 -5.07 115.64 106.60 1xcg s THR 1021Ca -0.22 -0.15 -0.30 0.00 -1.18 0.00 0.00 61.69 59.84 1xcg s THR 1021Cb 0.07 -0.52 -0.13 0.00 1.34 0.00 0.00 72.50 73.26 1xcg s THR 1021CO 0.30 0.20 1.44 0.49 -0.54 0.00 0.00 174.62 176.51 1xcg n PHE 1022N 3.78 2.42 -2.96 3.99 3.01 -1.04 -4.75 117.46 121.91 1xcg n PHE 1022Ca -0.23 0.41 -0.38 0.00 1.01 0.00 0.00 57.45 58.26 1xcg n PHE 1022Cb 0.52 -2.49 -0.06 0.00 -0.01 0.00 0.00 39.48 37.44 1xcg n PHE 1022CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1xcg s SER 1023N 0.18 7.30 0.00 4.37 0.15 -1.26 -2.15 113.70 122.30 1xcg s SER 1023Ca 0.63 1.64 0.29 0.00 0.70 0.00 0.00 55.95 59.22 1xcg s SER 1023Cb -0.58 -2.50 1.35 0.00 -1.71 0.00 0.00 66.02 62.58 1xcg s SER 1023CO 0.53 0.10 1.93 -0.81 1.20 0.00 0.00 173.24 176.19 1xcg n PRO 1024N 1.12 0.84 -4.94 5.44 -0.04 -1.25 -4.79 135.00 131.38 1xcg n PRO 1024Ca -0.03 -0.26 -0.30 0.00 -0.04 0.00 0.00 63.50 62.87 1xcg n PRO 1024Cb 0.49 -1.49 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 1xcg n PRO 1024CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1xcg s VAL 1025N -2.34 1.80 -0.09 0.52 1.01 -1.26 -0.91 120.40 119.12 1xcg s VAL 1025Ca 0.33 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.49 1xcg s VAL 1025Cb 0.21 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1xcg s VAL 1025CO 0.44 0.50 -0.20 -0.76 0.00 0.00 0.00 175.10 175.08 1xcg s LEU 1026N 0.53 1.93 -0.15 3.92 1.02 -0.15 -4.94 118.68 120.84 1xcg s LEU 1026Ca -0.15 -0.48 -0.29 0.00 0.02 0.00 0.00 54.13 53.22 1xcg s LEU 1026Cb -0.17 -1.22 -0.01 0.00 0.02 0.00 0.00 46.19 44.81 1xcg s LEU 1026CO 0.06 0.10 1.03 -0.54 0.02 0.00 0.00 176.35 177.02 1xcg s LYS 1027N 0.54 4.36 0.57 1.70 1.02 -1.26 -0.25 119.74 126.41 1xcg s LYS 1027Ca -0.15 1.40 0.35 0.00 0.02 0.00 0.00 55.97 57.58 1xcg s LYS 1027Cb -0.17 -3.58 1.59 0.00 -0.52 0.00 0.00 37.83 35.14 1xcg s LYS 1027CO 0.06 -0.44 2.07 -0.07 -0.92 0.00 0.00 175.35 176.05 1xcg h LEU 1028N 8.57 0.00 0.00 3.17 3.38 -1.83 -1.81 115.31 126.79 1xcg h LEU 1028Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1xcg h LEU 1028Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xcg h LEU 1028CO 0.90 0.04 0.00 -0.46 0.09 0.00 0.00 178.44 179.01 1xcg n ASN 1029N -3.19 0.00 -0.32 -0.43 0.23 -1.26 -3.18 115.26 107.11 1xcg n ASN 1029Ca -0.01 -0.44 0.07 0.00 -0.53 0.00 0.00 54.58 53.67 1xcg n ASN 1029Cb 0.25 -0.08 0.11 0.00 -2.08 0.00 0.00 39.78 37.98 1xcg n ASN 1029CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xcg n ALA 1030N -1.08 2.37 -2.39 -2.53 0.00 -0.68 -5.07 120.51 111.12 1xcg n ALA 1030Ca 0.13 -2.27 -0.29 0.00 0.00 0.00 0.00 53.44 51.01 1xcg n ALA 1030Cb 0.09 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 18.98 1xcg n ALA 1030CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1xcg s VAL 1031N -2.02 2.30 -0.03 0.00 -7.23 -1.19 -1.19 120.40 111.04 1xcg s VAL 1031Ca 0.25 -1.66 0.04 0.00 -1.81 0.00 0.00 61.98 58.80 1xcg s VAL 1031Cb 0.22 -2.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.14 1xcg s VAL 1031CO -0.00 0.15 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.03 1xcg s LEU 1032N -1.90 2.71 -0.22 1.32 2.01 -0.61 -4.97 118.68 117.02 1xcg s LEU 1032Ca 0.14 -0.23 -0.11 0.00 0.01 0.00 0.00 54.13 53.93 1xcg s LEU 1032Cb -0.10 -1.55 -0.05 0.00 0.01 0.00 0.00 46.19 44.50 1xcg s LEU 1032CO 0.06 0.33 0.18 -0.63 1.01 0.00 0.00 176.35 177.30 1xcg s ILE 1033N -0.76 5.36 0.14 -0.59 -1.09 -1.26 -1.09 121.20 121.90 1xcg s ILE 1033Ca 0.12 0.26 0.06 0.00 -2.23 0.00 0.00 60.65 58.86 1xcg s ILE 1033Cb -0.11 -3.52 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 1xcg s ILE 1033CO 0.01 0.37 -0.13 -0.13 -1.23 0.00 0.00 174.94 173.83 1xcg s ARG 1034N 0.78 1.06 -0.01 2.79 1.81 0.18 -4.98 118.95 120.59 1xcg s ARG 1034Ca 0.09 -1.31 -0.11 0.00 -1.72 0.00 0.00 55.73 52.68 1xcg s ARG 1034Cb -0.13 -0.88 0.01 0.00 -0.45 0.00 0.00 34.95 33.51 1xcg s ARG 1034CO 0.02 0.16 0.23 0.45 -0.68 0.00 0.00 175.30 175.48 1xcg s SER 1035N -2.67 -0.10 -0.17 0.23 0.15 -1.26 0.14 113.70 110.01 1xcg s SER 1035Ca 0.12 -0.01 -0.03 0.00 0.70 0.00 0.00 55.95 56.73 1xcg s SER 1035Cb -0.03 0.28 -0.02 0.00 -1.71 0.00 0.00 66.02 64.54 1xcg s SER 1035CO 0.03 -0.39 -0.05 0.68 1.20 0.00 0.00 173.24 174.71 1xcg s VAL 1036N -1.25 3.63 0.04 4.45 -7.23 -1.26 -5.00 120.40 113.78 1xcg s VAL 1036Ca -0.13 -0.44 -0.25 0.00 -1.81 0.00 0.00 61.98 59.35 1xcg s VAL 1036Cb -0.06 -2.60 -0.17 0.00 0.56 0.00 0.00 36.38 34.11 1xcg s VAL 1036CO 0.03 0.48 1.52 0.00 -0.31 0.00 0.00 175.10 176.82 1xcg h ALA 1037N 7.10 -0.09 0.00 1.32 0.00 -2.01 -3.12 119.26 122.46 1xcg h ALA 1037Ca -0.33 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xcg h ALA 1037Cb 1.19 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1xcg h ALA 1037CO 0.60 -0.45 0.51 0.00 0.00 0.00 0.00 179.25 179.92 1xcg h THR 1038N -0.28 0.00 -3.47 0.00 1.03 -2.00 -3.36 112.91 104.82 1xcg h THR 1038Ca -0.01 0.00 -0.61 0.00 -0.01 0.00 0.00 66.41 65.79 1xcg h THR 1038Cb 0.25 0.35 -0.39 0.00 -1.07 0.00 0.00 68.15 67.29 1xcg h THR 1038CO 0.01 0.00 -0.76 -0.62 -0.01 0.00 0.00 175.52 174.14 1xcg s ASP 1039N -3.64 4.04 0.07 0.00 -1.08 -1.18 -5.01 116.67 109.86 1xcg s ASP 1039Ca -0.02 -1.51 0.22 0.00 -0.52 0.00 0.00 52.55 50.73 1xcg s ASP 1039Cb 0.05 -1.14 0.91 0.00 -1.46 0.00 0.00 42.92 41.28 1xcg s ASP 1039CO 0.14 -0.33 1.70 2.29 0.52 0.00 0.00 175.17 179.50 1xcg n LYS 1040N 4.66 0.06 -0.03 4.34 2.85 -1.26 -3.51 118.16 125.28 1xcg n LYS 1040Ca -0.05 0.19 -0.00 0.00 -1.05 0.00 0.00 58.31 57.39 1xcg n LYS 1040Cb 0.43 -1.60 -0.09 0.00 -0.65 0.00 0.00 35.03 33.12 1xcg n LYS 1040CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1xcg n ARG 1041N -1.71 1.30 -4.04 -1.58 1.74 -1.26 -3.88 116.66 107.23 1xcg n ARG 1041Ca 0.05 -0.06 -0.25 0.00 -0.77 0.00 0.00 57.85 56.82 1xcg n ARG 1041Cb 0.27 -1.30 -0.04 0.00 -1.02 0.00 0.00 32.46 30.37 1xcg n ARG 1041CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1xcg s ALA 1042N -2.55 3.72 0.24 7.54 0.00 -1.23 0.43 121.76 129.90 1xcg s ALA 1042Ca -0.05 -1.20 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 1xcg s ALA 1042Cb 0.06 -1.51 0.00 0.00 0.00 0.00 0.00 23.12 21.67 1xcg s ALA 1042CO 0.49 0.45 0.49 -0.59 0.00 0.00 0.00 175.76 176.60 1xcg s PHE 1043N -1.83 0.26 -0.09 0.00 -0.71 -0.10 -4.29 117.98 111.21 1xcg s PHE 1043Ca 0.33 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.62 1xcg s PHE 1043Cb -0.10 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 1xcg s PHE 1043CO 0.26 -0.98 -0.21 -0.06 -1.34 0.00 0.00 175.22 172.88 1xcg s PHE 1044N -3.99 2.31 -0.27 3.49 0.08 0.36 -1.55 117.98 118.41 1xcg s PHE 1044Ca 0.20 -0.94 -0.06 0.00 0.12 0.00 0.00 56.93 56.24 1xcg s PHE 1044Cb -0.01 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.87 1xcg s PHE 1044CO 0.07 -0.39 0.05 0.42 -0.10 0.00 0.00 175.22 175.27 1xcg s ILE 1045N 0.43 3.92 -0.27 0.64 1.01 -0.86 0.52 121.20 126.59 1xcg s ILE 1045Ca -0.18 -0.53 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1xcg s ILE 1045Cb -0.17 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1xcg s ILE 1045CO 0.08 0.21 0.12 -0.63 0.00 0.00 0.00 174.94 174.72 1xcg s ILE 1046N 1.52 4.70 -0.31 2.92 1.09 -0.25 -1.42 121.20 129.45 1xcg s ILE 1046Ca 0.04 -0.10 -0.14 0.00 -1.10 0.00 0.00 60.65 59.36 1xcg s ILE 1046Cb -0.16 -3.25 -0.03 0.00 -1.06 0.00 0.00 42.46 37.96 1xcg s ILE 1046CO 0.02 0.26 0.30 0.00 -0.10 0.00 0.00 174.94 175.42 1xcg s THR 1048N 1.92 4.82 0.30 0.00 -4.23 -0.33 -1.30 115.64 116.82 1xcg s THR 1048Ca 0.11 -2.03 0.33 0.00 -1.18 0.00 0.00 61.69 58.92 1xcg s THR 1048Cb -0.16 -4.86 0.36 0.00 1.34 0.00 0.00 72.50 69.18 1xcg s THR 1048CO 0.11 -1.58 2.07 0.77 -0.54 0.00 0.00 174.62 175.44 1xcg h SER 1049N 8.08 0.00 -3.74 3.99 4.64 -1.86 -3.48 113.55 121.19 1xcg h SER 1049Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1xcg h SER 1049Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1xcg h SER 1049CO 1.19 0.06 -0.48 0.29 -0.87 0.00 0.00 176.83 177.02 1xcg n LYS 1050N -3.25 -2.74 -3.39 4.77 5.02 -1.26 -4.73 118.16 112.58 1xcg n LYS 1050Ca -0.01 2.20 -0.18 0.00 -2.02 0.00 0.00 58.31 58.31 1xcg n LYS 1050Cb 0.26 -2.22 0.08 0.00 -0.02 0.00 0.00 35.03 33.13 1xcg n LYS 1050CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1xcg n LEU 1051N 0.94 -3.75 -3.83 -0.35 4.77 -1.26 -5.01 117.00 108.51 1xcg n LEU 1051Ca 0.00 -0.56 -0.00 0.00 -0.03 0.00 0.00 56.01 55.41 1xcg n LEU 1051Cb 0.00 -2.94 0.01 0.00 -2.33 0.00 0.00 43.42 38.16 1xcg n LEU 1051CO 0.00 0.43 0.94 -0.83 -1.33 0.00 0.00 177.39 176.60 1xcg s GLY 1052N -4.01 -0.12 0.47 -0.72 0.00 -1.26 -5.15 107.32 96.53 1xcg s GLY 1052Ca 0.15 0.07 -0.24 0.00 0.00 0.00 0.00 44.72 44.70 1xcg s GLY 1052CO 0.68 2.44 1.37 -4.14 0.00 0.00 0.00 173.10 173.45 1xcg s PRO 1053N -2.34 3.60 0.05 2.90 0.02 -1.26 -4.82 135.00 133.15 1xcg s PRO 1053Ca 0.21 2.27 -0.31 0.00 0.02 0.00 0.00 61.00 63.20 1xcg s PRO 1053Cb -0.00 -2.55 -0.06 0.00 0.02 0.00 0.00 34.50 31.90 1xcg s PRO 1053CO 0.01 -0.84 1.37 -2.14 -0.33 0.00 0.00 177.00 175.07 1xcg s PRO 1054N -2.55 4.32 0.28 5.54 0.02 -1.26 -4.39 135.00 136.96 1xcg s PRO 1054Ca 0.63 1.98 -0.25 0.00 0.02 0.00 0.00 61.00 63.38 1xcg s PRO 1054Cb -0.41 -3.42 -0.09 0.00 0.02 0.00 0.00 34.50 30.60 1xcg s PRO 1054CO 0.51 -0.48 0.89 -1.14 -0.33 0.00 0.00 177.00 176.45 1xcg s GLN 1055N 1.74 4.55 -0.19 5.54 2.00 -0.42 -4.88 119.66 127.99 1xcg s GLN 1055Ca 0.63 1.24 0.01 0.00 -2.00 0.00 0.00 55.36 55.25 1xcg s GLN 1055Cb -0.33 -2.90 0.02 0.00 0.80 0.00 0.00 33.01 30.60 1xcg s GLN 1055CO 0.28 0.35 -0.19 0.42 -0.50 0.00 0.00 175.29 175.65 1xcg s ILE 1056N -1.52 2.13 -0.36 -2.34 1.01 -1.26 -0.74 121.20 118.11 1xcg s ILE 1056Ca 0.47 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1xcg s ILE 1056Cb -0.19 -1.92 0.05 0.00 0.01 0.00 0.00 42.46 40.41 1xcg s ILE 1056CO 0.24 0.49 0.15 -0.31 0.00 0.00 0.00 174.94 175.51 1xcg s TYR 1057N 1.28 3.30 -0.43 3.97 1.51 -0.51 -5.00 117.35 121.47 1xcg s TYR 1057Ca 0.04 -1.52 -0.23 0.00 -1.01 0.00 0.00 57.07 54.34 1xcg s TYR 1057Cb -0.14 -2.50 0.02 0.00 -0.11 0.00 0.00 41.96 39.23 1xcg s TYR 1057CO -0.12 -0.77 0.80 -2.00 -1.11 0.00 0.00 175.55 172.35 1xcg s GLU 1058N 1.39 3.52 -0.03 -0.62 2.12 -1.26 -2.02 118.70 121.79 1xcg s GLU 1058Ca 0.00 0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.45 1xcg s GLU 1058Cb -0.21 -3.90 -0.02 0.00 0.26 0.00 0.00 34.13 30.26 1xcg s GLU 1058CO 0.02 -1.06 -0.22 -0.51 -0.54 0.00 0.00 175.26 172.95 1xcg s LEU 1059N 3.30 2.27 -0.18 2.70 1.43 -0.60 -0.75 118.68 126.85 1xcg s LEU 1059Ca 0.31 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1xcg s LEU 1059Cb -0.12 -1.41 0.02 0.00 0.03 0.00 0.00 46.19 44.71 1xcg s LEU 1059CO 0.22 0.32 -0.17 -0.69 0.23 0.00 0.00 176.35 176.26 1xcg s VAL 1060N -0.62 1.93 0.84 -1.59 1.01 0.95 -0.93 120.40 121.98 1xcg s VAL 1060Ca 0.10 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 1xcg s VAL 1060Cb -0.10 -1.79 0.09 0.00 0.00 0.00 0.00 36.38 34.58 1xcg s VAL 1060CO -0.00 0.46 1.09 0.00 0.00 0.00 0.00 175.10 176.65 1xcg s ALA 1061N 1.33 1.93 0.07 5.51 0.00 0.17 -1.50 121.76 129.27 1xcg s ALA 1061Ca 0.04 -0.05 -0.33 0.00 0.00 0.00 0.00 51.96 51.61 1xcg s ALA 1061Cb -0.14 -3.18 -0.19 0.00 0.00 0.00 0.00 23.12 19.62 1xcg s ALA 1061CO -0.12 -2.01 1.62 -0.07 0.00 0.00 0.00 175.76 175.19 1xcg h LEU 1062N -1.30 -0.80 -9.51 0.00 4.07 -1.86 -3.46 115.31 102.45 1xcg h LEU 1062Ca -0.47 0.03 -0.56 0.00 0.08 0.00 0.00 57.88 56.95 1xcg h LEU 1062Cb 1.27 0.21 -0.13 0.00 1.08 0.00 0.00 40.66 43.08 1xcg h LEU 1062CO 0.56 -0.56 -0.54 0.42 -1.08 0.00 0.00 178.44 177.24 1xcg s THR 1063N -6.05 0.89 0.34 0.22 -4.23 -1.26 -5.00 115.64 100.54 1xcg s THR 1063Ca -0.18 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.39 1xcg s THR 1063Cb 0.03 -2.44 0.14 0.00 1.34 0.00 0.00 72.50 71.58 1xcg s THR 1063CO 0.62 0.00 1.86 0.77 -0.54 0.00 0.00 174.62 177.33 1xcg h SER 1064N 1.78 0.40 0.36 3.99 4.64 -1.90 -2.56 113.55 120.26 1xcg h SER 1064Ca -0.38 -0.09 -0.08 0.00 -0.47 0.00 0.00 61.79 60.77 1xcg h SER 1064Cb 1.27 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 1xcg h SER 1064CO 0.64 0.53 -0.36 -1.28 -0.87 0.00 0.00 176.83 175.49 1xcg h SER 1065N 0.40 0.00 -0.02 4.97 0.87 -1.96 -3.02 113.55 114.80 1xcg h SER 1065Ca 0.08 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1xcg h SER 1065Cb 0.40 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.35 1xcg h SER 1065CO 0.02 0.36 -0.00 -0.78 -0.53 0.00 0.00 176.83 175.90 1xcg h ASP 1066N 0.00 0.03 -0.45 6.23 3.58 -1.83 -2.97 116.42 121.01 1xcg h ASP 1066Ca -0.00 -0.33 0.07 0.00 0.42 0.00 0.00 57.03 57.19 1xcg h ASP 1066Cb 0.64 -0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.59 1xcg h ASP 1066CO 0.05 0.36 -0.45 0.50 -2.88 0.00 0.00 179.24 176.81 1xcg h LYS 1067N -0.29 -0.30 -0.37 0.28 3.64 -1.37 0.13 116.57 118.28 1xcg h LYS 1067Ca 0.00 0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.36 1xcg h LYS 1067Cb 0.34 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1xcg h LYS 1067CO 0.00 -0.20 0.04 -2.95 -2.27 0.00 0.00 179.45 174.07 1xcg h ASN 1068N -0.31 0.52 0.33 4.20 7.08 -1.65 0.58 115.58 126.34 1xcg h ASN 1068Ca 0.14 -0.09 -0.00 0.00 -3.08 0.00 0.00 56.30 53.27 1xcg h ASN 1068Cb 0.58 -0.14 -0.02 0.00 -2.08 0.00 0.00 38.32 36.67 1xcg h ASN 1068CO -0.61 0.57 -0.28 0.74 -2.08 0.00 0.00 177.43 175.76 1xcg h THR 1069N 0.54 0.41 0.36 6.14 2.02 -0.97 0.21 112.91 121.61 1xcg h THR 1069Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1xcg h THR 1069Cb 0.29 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1xcg h THR 1069CO 0.01 0.00 -0.20 -0.50 0.37 0.00 0.00 175.52 175.19 1xcg h TRP 1070N -0.63 -0.53 -0.38 3.16 4.06 -0.19 -1.99 115.95 119.45 1xcg h TRP 1070Ca -0.02 -0.01 0.08 0.00 2.06 0.00 0.00 58.89 61.00 1xcg h TRP 1070Cb 0.56 0.18 -0.09 0.00 -1.00 0.00 0.00 29.16 28.81 1xcg h TRP 1070CO -0.16 -0.32 -0.26 0.52 -3.56 0.00 0.00 178.44 174.67 1xcg h MET 1071N -0.53 -0.19 -0.18 0.49 2.86 0.23 0.71 114.93 118.32 1xcg h MET 1071Ca -0.04 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1xcg h MET 1071Cb 0.43 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1xcg h MET 1071CO 0.05 -0.13 0.09 1.49 1.06 0.00 0.00 176.91 179.48 1xcg h GLU 1072N -0.19 0.19 -0.17 1.72 4.81 -0.52 0.38 114.58 120.79 1xcg h GLU 1072Ca 0.18 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 1xcg h GLU 1072Cb 0.48 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 1xcg h GLU 1072CO -0.50 0.12 -0.42 -0.07 -0.73 0.00 0.00 179.01 177.42 1xcg h LEU 1073N 0.19 0.41 -0.11 1.64 3.38 -0.87 -2.10 115.31 117.85 1xcg h LEU 1073Ca 0.07 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1xcg h LEU 1073Cb 0.01 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1xcg h LEU 1073CO -0.05 0.78 -0.05 0.25 0.09 0.00 0.00 178.44 179.47 1xcg h LEU 1074N 0.32 0.24 -1.01 1.67 5.85 0.77 -1.15 115.31 122.01 1xcg h LEU 1074Ca 0.03 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1xcg h LEU 1074Cb 0.88 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 1xcg h LEU 1074CO 0.07 0.59 0.05 -0.33 -0.34 0.00 0.00 178.44 178.48 1xcg h GLU 1075N -0.11 0.77 -0.12 1.25 5.08 -0.23 -1.54 114.58 119.68 1xcg h GLU 1075Ca 0.03 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1xcg h GLU 1075Cb 0.49 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 1xcg h GLU 1075CO 0.02 0.74 -0.02 1.49 -1.00 0.00 0.00 179.01 180.24 1xcg h GLU 1076N 0.73 0.23 -0.36 2.33 4.57 -1.39 -2.82 114.58 117.87 1xcg h GLU 1076Ca 0.15 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.28 1xcg h GLU 1076Cb 0.37 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.91 1xcg h GLU 1076CO 0.01 0.51 0.15 0.00 -1.18 0.00 0.00 179.01 178.51 1xcg h ALA 1077N 0.71 0.43 -0.77 2.92 0.00 -0.86 -0.11 119.26 121.59 1xcg h ALA 1077Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xcg h ALA 1077Cb 0.42 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1xcg h ALA 1077CO 0.01 -0.23 0.28 -0.24 0.00 0.00 0.00 179.25 179.07 1xcg h VAL 1078N 0.32 1.26 -0.85 0.00 3.04 -1.37 -0.36 116.25 118.30 1xcg h VAL 1078Ca 0.16 -0.85 -0.03 0.00 -1.01 0.00 0.00 66.70 64.97 1xcg h VAL 1078Cb 0.11 0.37 -0.04 0.00 -2.01 0.00 0.00 31.29 29.72 1xcg h VAL 1078CO -0.14 0.34 0.41 0.03 -1.01 0.00 0.00 177.57 177.20 1xcg h ARG 1079N 1.12 1.21 0.00 4.17 3.08 -1.15 -2.67 114.38 120.15 1xcg h ARG 1079Ca 0.25 -0.18 -0.12 0.00 0.07 0.00 0.00 59.98 60.01 1xcg h ARG 1079Cb 0.25 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1xcg h ARG 1079CO -0.02 0.93 -0.58 -0.91 -1.07 0.00 0.00 179.97 178.33 1xcg h ASN 1080N 1.20 0.00 0.00 7.04 2.35 -0.64 -3.52 115.58 122.02 1xcg h ASN 1080Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 1xcg h ASN 1080Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.48 1xcg h ASN 1080CO -0.04 0.58 0.00 0.00 -1.65 0.00 0.00 177.43 176.32