#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wer n PRO 719 N 0.00 1.10 -0.31 0.03 -0.02 -1.26 -4.87 135.00 129.67 1wer n PRO 719 Ca 0.00 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.01 1wer n PRO 719 Cb 0.00 -1.86 0.36 0.00 -0.02 0.00 0.00 33.50 31.99 1wer n PRO 719 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1wer h GLU 720 N 1.36 0.69 -0.17 -0.52 4.81 -1.99 -0.33 114.58 118.44 1wer h GLU 720 Ca -0.42 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1wer h GLU 720 Cb 1.36 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 1wer h GLU 720 CO 0.56 0.46 0.11 0.93 -0.73 0.00 0.00 179.01 180.34 1wer h GLU 721 N 0.71 0.19 0.00 1.92 3.07 -2.02 -1.18 114.58 117.27 1wer h GLU 721 Ca 0.51 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 1wer h GLU 721 Cb 0.83 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1wer h GLU 721 CO -0.27 0.13 0.00 0.93 -1.40 0.00 0.00 179.01 178.40 1wer h GLU 722 N 0.20 0.00 -0.23 2.33 4.39 -1.39 -1.89 114.58 117.98 1wer h GLU 722 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1wer h GLU 722 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1wer h GLU 722 CO -0.01 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.50 1wer n TYR 723 N -2.34 0.29 0.22 4.33 4.01 -0.44 -4.63 117.16 118.59 1wer n TYR 723 Ca 0.01 -0.15 0.06 0.00 -0.16 0.00 0.00 57.90 57.65 1wer n TYR 723 Cb 0.17 -0.00 0.49 0.00 -0.31 0.00 0.00 39.34 39.70 1wer n TYR 723 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1wer h SER 724 N 4.34 0.00 -0.15 7.72 4.64 -1.40 -0.29 113.55 128.41 1wer h SER 724 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1wer h SER 724 Cb 0.95 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1wer h SER 724 CO 0.00 0.24 -0.15 1.05 -0.87 0.00 0.00 176.83 177.10 1wer h GLU 725 N 0.00 0.37 -0.80 4.77 9.09 -1.82 -2.77 114.58 123.42 1wer h GLU 725 Ca -0.00 -0.20 -0.01 0.00 0.05 0.00 0.00 59.36 59.20 1wer h GLU 725 Cb 0.46 0.01 -0.04 0.00 -1.65 0.00 0.00 28.75 27.53 1wer h GLU 725 CO 0.03 0.75 0.46 0.35 0.05 0.00 0.00 179.01 180.65 1wer h PHE 726 N -0.00 1.07 -0.32 2.06 3.57 -1.76 -2.85 116.94 118.70 1wer h PHE 726 Ca 0.02 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 1wer h PHE 726 Cb 0.69 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 1wer h PHE 726 CO 0.08 0.73 -0.29 -0.22 -2.23 0.00 0.00 178.31 176.39 1wer h LYS 727 N 1.10 0.68 0.00 1.11 3.64 -1.11 -2.24 116.57 119.74 1wer h LYS 727 Ca 0.28 -0.29 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 1wer h LYS 727 Cb -0.01 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 1wer h LYS 727 CO -0.05 0.89 -0.49 1.49 -2.27 0.00 0.00 179.45 179.01 1wer h GLU 728 N 0.58 0.00 -0.09 1.90 4.57 -1.31 -1.75 114.58 118.48 1wer h GLU 728 Ca 0.07 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1wer h GLU 728 Cb 0.79 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1wer h GLU 728 CO 0.06 0.49 0.04 1.25 -1.18 0.00 0.00 179.01 179.68 1wer h LEU 729 N 0.00 0.11 -1.18 1.64 5.85 -1.26 -3.05 115.31 117.43 1wer h LEU 729 Ca -0.00 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 1wer h LEU 729 Cb 1.04 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.02 1wer h LEU 729 CO 0.06 0.21 0.00 0.40 -0.34 0.00 0.00 178.44 178.78 1wer h ILE 730 N 0.01 1.21 -0.01 4.05 2.04 -0.95 -2.87 117.51 120.98 1wer h ILE 730 Ca 0.03 -0.82 0.00 0.00 1.00 0.00 0.00 64.86 65.07 1wer h ILE 730 Cb 0.13 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1wer h ILE 730 CO -0.00 0.28 0.00 0.18 0.00 0.00 0.00 178.15 178.61 1wer n LEU 731 N -4.27 0.83 -4.77 1.44 4.77 -0.70 -4.79 117.00 109.52 1wer n LEU 731 Ca 0.02 -0.28 -0.40 0.00 -0.03 0.00 0.00 56.01 55.32 1wer n LEU 731 Cb 0.25 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1wer n LEU 731 CO 0.39 0.14 1.06 -1.10 -1.33 0.00 0.00 177.39 176.55 1wer s GLN 732 N -2.00 3.84 0.54 3.23 -0.21 -1.09 -4.89 119.66 119.08 1wer s GLN 732 Ca 0.42 2.39 0.26 0.00 0.02 0.00 0.00 55.36 58.45 1wer s GLN 732 Cb 0.21 -2.74 1.52 0.00 1.00 0.00 0.00 33.01 33.00 1wer s GLN 732 CO 0.35 -0.68 2.13 1.57 -2.12 0.00 0.00 175.29 176.53 1wer h LYS 733 N 2.55 0.00 0.00 2.91 2.10 -1.91 -1.42 116.57 120.80 1wer h LYS 733 Ca -0.51 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.14 1wer h LYS 733 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1wer h LYS 733 CO 0.62 0.08 0.00 0.93 -2.00 0.00 0.00 179.45 179.08 1wer h GLU 734 N 0.00 0.00 -4.47 0.07 3.07 -1.97 -3.47 114.58 107.81 1wer h GLU 734 Ca -0.00 0.00 -0.36 0.00 -0.50 0.00 0.00 59.36 58.50 1wer h GLU 734 Cb 0.20 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 1wer h GLU 734 CO 0.01 0.00 -0.52 1.28 -1.40 0.00 0.00 179.01 178.38 1wer n LEU 735 N -2.52 -1.91 -0.04 1.33 4.77 -0.54 -4.88 117.00 113.22 1wer n LEU 735 Ca 0.04 -0.18 -0.03 0.00 -0.03 0.00 0.00 56.01 55.80 1wer n LEU 735 Cb 0.37 -2.53 0.21 0.00 -2.33 0.00 0.00 43.42 39.14 1wer n LEU 735 CO 0.27 0.08 0.85 0.45 -1.33 0.00 0.00 177.39 177.71 1wer h HIS 736 N -0.79 0.66 -0.31 -1.77 3.86 -1.91 -1.05 115.15 113.84 1wer h HIS 736 Ca -0.44 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 58.60 1wer h HIS 736 Cb 1.31 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.59 1wer h HIS 736 CO 0.62 0.69 -0.05 0.28 0.86 0.00 0.00 177.93 180.32 1wer h VAL 737 N 0.57 1.27 -0.81 2.45 2.07 -1.90 -1.74 116.25 118.17 1wer h VAL 737 Ca 0.11 -1.06 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1wer h VAL 737 Cb 0.49 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.55 1wer h VAL 737 CO 0.03 0.34 0.51 0.58 0.02 0.00 0.00 177.57 179.05 1wer h VAL 738 N 0.36 1.10 -0.52 2.57 2.07 -1.74 -0.67 116.25 119.42 1wer h VAL 738 Ca 0.08 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1wer h VAL 738 Cb 0.52 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1wer h VAL 738 CO 0.03 0.18 0.12 1.88 0.02 0.00 0.00 177.57 179.80 1wer h TYR 739 N 0.98 0.88 -0.63 1.57 0.05 -1.06 -0.57 116.97 118.18 1wer h TYR 739 Ca 0.33 -0.11 -0.06 0.00 0.05 0.00 0.00 58.73 58.95 1wer h TYR 739 Cb 0.06 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.53 1wer h TYR 739 CO -0.03 0.77 0.16 0.00 -1.05 0.00 0.00 178.16 178.01 1wer h ALA 740 N 1.00 0.83 -0.56 3.88 0.00 -0.99 -2.05 119.26 121.37 1wer h ALA 740 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1wer h ALA 740 Cb 0.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1wer h ALA 740 CO 0.00 0.54 0.12 -0.07 0.00 0.00 0.00 179.25 179.85 1wer h LEU 741 N 0.93 0.85 -1.23 0.00 3.38 -0.94 -1.71 115.31 116.58 1wer h LEU 741 Ca 0.20 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1wer h LEU 741 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1wer h LEU 741 CO 0.00 0.87 -0.24 0.77 0.09 0.00 0.00 178.44 179.94 1wer h SER 742 N 0.80 0.23 0.36 -0.43 4.64 -0.97 -0.83 113.55 117.34 1wer h SER 742 Ca 0.17 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1wer h SER 742 Cb 0.36 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1wer h SER 742 CO 0.00 0.47 -0.17 -0.74 -0.87 0.00 0.00 176.83 175.53 1wer h HIS 743 N 0.21 -0.45 0.00 4.77 -0.00 -1.01 -3.24 115.15 115.42 1wer h HIS 743 Ca 0.04 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.31 1wer h HIS 743 Cb 0.54 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 1wer h HIS 743 CO 0.01 -0.16 -0.39 -0.39 -0.00 0.00 0.00 177.93 177.00 1wer h VAL 744 N -0.69 0.90 -3.15 5.26 -1.51 -1.10 -3.37 116.25 112.58 1wer h VAL 744 Ca -0.05 -1.58 -0.63 0.00 -1.23 0.00 0.00 66.70 63.21 1wer h VAL 744 Cb 0.48 1.96 -0.14 0.00 -2.13 0.00 0.00 31.29 31.47 1wer h VAL 744 CO 0.08 0.38 0.42 0.00 -1.23 0.00 0.00 177.57 177.22 1wer n GLY 746 N 5.16 -0.03 0.27 0.00 0.00 -1.26 -4.53 105.19 104.80 1wer n GLY 746 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1wer n GLY 746 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1wer h GLN 747 N 0.00 0.92 -1.40 1.61 1.08 -1.96 -3.32 115.11 112.04 1wer h GLN 747 Ca 0.00 -0.43 -0.24 0.00 -1.45 0.00 0.00 58.65 56.52 1wer h GLN 747 Cb 0.00 -0.01 -0.12 0.00 -0.05 0.00 0.00 27.48 27.30 1wer h GLN 747 CO 0.00 1.09 0.31 -0.25 -0.95 0.00 0.00 178.83 179.03 1wer n ASP 748 N -4.08 5.26 -0.30 1.46 9.92 -1.26 -4.22 116.55 123.33 1wer n ASP 748 Ca -0.01 -2.84 0.13 0.00 -0.53 0.00 0.00 54.79 51.54 1wer n ASP 748 Cb 0.50 -0.92 0.28 0.00 -0.64 0.00 0.00 41.12 40.33 1wer n ASP 748 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 1wer h ARG 749 N 1.05 0.14 -0.06 -1.24 2.43 -1.80 -2.60 114.38 112.31 1wer h ARG 749 Ca 0.24 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1wer h ARG 749 Cb 1.20 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1wer h ARG 749 CO 0.56 0.09 -0.06 1.15 -1.51 0.00 0.00 179.97 180.20 1wer h THR 750 N 0.14 0.81 0.25 0.20 2.02 -1.93 0.10 112.91 114.50 1wer h THR 750 Ca 0.55 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.71 1wer h THR 750 Cb 1.11 0.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1wer h THR 750 CO -0.71 0.00 -0.12 0.25 0.37 0.00 0.00 175.52 175.31 1wer h LEU 751 N -0.09 -0.28 -0.58 2.58 5.85 -1.88 -2.28 115.31 118.64 1wer h LEU 751 Ca 0.05 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.80 1wer h LEU 751 Cb 0.15 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 1wer h LEU 751 CO -0.11 -0.12 0.17 0.25 -0.34 0.00 0.00 178.44 178.29 1wer h LEU 752 N -0.43 0.12 -0.48 2.25 5.85 -1.33 -2.02 115.31 119.27 1wer h LEU 752 Ca -0.03 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.82 1wer h LEU 752 Cb 0.32 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 1wer h LEU 752 CO 0.06 0.08 0.23 0.00 -0.34 0.00 0.00 178.44 178.47 1wer h ALA 753 N 1.42 0.61 -0.39 1.25 0.00 -0.69 -0.35 119.26 121.12 1wer h ALA 753 Ca 0.29 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1wer h ALA 753 Cb 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1wer h ALA 753 CO -0.33 -0.12 0.22 0.77 0.00 0.00 0.00 179.25 179.78 1wer h SER 754 N 0.46 0.35 -0.15 0.00 0.02 -0.79 0.07 113.55 113.50 1wer h SER 754 Ca 0.21 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1wer h SER 754 Cb 0.14 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 1wer h SER 754 CO -0.16 0.25 -0.15 0.40 -1.14 0.00 0.00 176.83 176.03 1wer h ILE 755 N 0.45 1.35 -0.65 3.27 2.04 -0.97 -2.59 117.51 120.40 1wer h ILE 755 Ca 0.16 -1.32 -0.03 0.00 1.00 0.00 0.00 64.86 64.67 1wer h ILE 755 Cb 0.02 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1wer h ILE 755 CO -0.08 0.39 0.30 -0.07 0.00 0.00 0.00 178.15 178.68 1wer h LEU 756 N 0.00 0.86 -0.50 1.44 3.38 -0.89 -1.17 115.31 118.43 1wer h LEU 756 Ca 0.02 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1wer h LEU 756 Cb 0.69 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1wer h LEU 756 CO 0.04 0.77 0.11 0.25 0.09 0.00 0.00 178.44 179.70 1wer h LEU 757 N 0.90 0.76 -0.80 1.67 5.85 -1.00 -0.33 115.31 122.36 1wer h LEU 757 Ca 0.22 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1wer h LEU 757 Cb 0.15 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1wer h LEU 757 CO -0.03 0.80 0.47 0.03 -0.34 0.00 0.00 178.44 179.37 1wer h ARG 758 N 0.69 1.09 -0.02 1.25 3.08 -1.21 0.12 114.38 119.37 1wer h ARG 758 Ca 0.16 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1wer h ARG 758 Cb 0.34 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1wer h ARG 758 CO 0.00 0.78 0.00 0.82 -1.07 0.00 0.00 179.97 180.50 1wer h ILE 759 N 1.09 1.21 0.00 2.04 2.04 -0.85 -1.27 117.51 121.78 1wer h ILE 759 Ca 0.28 -0.62 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 1wer h ILE 759 Cb -0.02 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1wer h ILE 759 CO -0.05 0.16 -0.60 -0.26 0.00 0.00 0.00 178.15 177.40 1wer h PHE 760 N -0.23 0.00 -0.29 1.37 -1.00 -0.96 -2.67 116.94 113.16 1wer h PHE 760 Ca 0.00 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.74 1wer h PHE 760 Cb 0.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1wer h PHE 760 CO 0.01 0.60 -0.01 -0.07 -1.61 0.00 0.00 178.31 177.24 1wer h LEU 761 N 0.00 0.51 -1.55 1.54 3.38 -0.73 0.20 115.31 118.67 1wer h LEU 761 Ca -0.01 -0.32 0.16 0.00 0.09 0.00 0.00 57.88 57.81 1wer h LEU 761 Cb 1.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.64 1wer h LEU 761 CO 0.08 0.71 0.53 -0.74 0.09 0.00 0.00 178.44 179.11 1wer h HIS 762 N 0.31 0.51 -0.22 1.13 2.76 -0.89 -0.84 115.15 117.92 1wer h HIS 762 Ca 0.08 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1wer h HIS 762 Cb 0.45 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 29.25 1wer h HIS 762 CO 0.04 0.18 0.00 0.39 -1.30 0.00 0.00 177.93 177.24 1wer n GLU 763 N -4.49 2.24 -2.71 5.26 -0.58 -1.07 -4.70 120.64 114.59 1wer n GLU 763 Ca 0.16 -1.85 -0.19 0.00 -0.42 0.00 0.00 57.16 54.86 1wer n GLU 763 Cb 0.57 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 29.98 1wer n GLU 763 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1wer n LYS 764 N 1.12 -3.27 -0.21 3.49 5.02 -0.32 -4.90 118.16 119.09 1wer n LYS 764 Ca 0.17 0.83 0.09 0.00 -2.02 0.00 0.00 58.31 57.38 1wer n LYS 764 Cb 0.53 -5.41 0.16 0.00 -0.02 0.00 0.00 35.03 30.30 1wer n LYS 764 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1wer n LEU 765 N -3.21 2.53 -0.15 -0.35 4.77 0.66 -4.73 117.00 116.52 1wer n LEU 765 Ca -0.14 -3.26 0.07 0.00 -0.03 0.00 0.00 56.01 52.65 1wer n LEU 765 Cb 0.63 -0.46 0.37 0.00 -2.33 0.00 0.00 43.42 41.63 1wer n LEU 765 CO 0.35 0.86 1.21 -0.33 -1.33 0.00 0.00 177.39 178.15 1wer h GLU 766 N 0.31 0.68 -0.47 3.23 3.07 -1.83 -1.52 114.58 118.06 1wer h GLU 766 Ca 0.00 -0.04 -0.14 0.00 -0.50 0.00 0.00 59.36 58.68 1wer h GLU 766 Cb 1.03 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.78 1wer h GLU 766 CO 0.02 0.45 -0.25 0.77 -1.40 0.00 0.00 179.01 178.60 1wer h SER 767 N 0.70 1.03 -0.46 1.42 0.02 -1.91 -1.00 113.55 113.35 1wer h SER 767 Ca 0.29 -0.41 0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1wer h SER 767 Cb 0.25 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 1wer h SER 767 CO -0.09 1.21 0.20 0.25 -1.14 0.00 0.00 176.83 177.26 1wer h LEU 768 N 0.85 0.25 0.39 5.07 5.85 -1.65 0.11 115.31 126.17 1wer h LEU 768 Ca 0.10 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1wer h LEU 768 Cb 0.84 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1wer h LEU 768 CO 0.07 0.18 -0.19 0.25 -0.34 0.00 0.00 178.44 178.42 1wer h LEU 769 N 0.39 -0.44 -0.18 2.25 5.85 -1.32 -2.54 115.31 119.33 1wer h LEU 769 Ca 0.21 -0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1wer h LEU 769 Cb 0.16 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1wer h LEU 769 CO -0.18 -0.14 -0.09 -0.07 -0.34 0.00 0.00 178.44 177.62 1wer h LEU 770 N -0.75 0.40 -0.87 2.25 3.38 -1.13 -2.15 115.31 116.44 1wer h LEU 770 Ca -0.05 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1wer h LEU 770 Cb 0.52 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1wer h LEU 770 CO 0.09 0.72 0.15 0.00 0.09 0.00 0.00 178.44 179.49 1wer h THR 772 N 0.94 1.33 -0.39 0.00 2.02 -1.42 -1.44 112.91 113.96 1wer h THR 772 Ca 0.20 -1.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.13 1wer h THR 772 Cb 0.34 1.82 -0.02 0.00 -1.74 0.00 0.00 68.15 68.55 1wer h THR 772 CO 0.00 0.34 -0.05 -0.07 0.37 0.00 0.00 175.52 176.11 1wer h LEU 773 N -0.06 0.62 -0.40 2.58 3.38 -1.24 -1.41 115.31 118.78 1wer h LEU 773 Ca 0.03 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 1wer h LEU 773 Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1wer h LEU 773 CO 0.03 0.72 -0.07 0.78 0.09 0.00 0.00 178.44 179.99 1wer h ASN 774 N 0.60 0.76 0.09 -0.43 2.35 -0.99 -1.67 115.58 116.30 1wer h ASN 774 Ca 0.12 -0.35 -0.09 0.00 -0.55 0.00 0.00 56.30 55.43 1wer h ASN 774 Cb 0.46 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1wer h ASN 774 CO 0.02 0.93 -0.28 -0.78 -1.65 0.00 0.00 177.43 175.68 1wer h ASP 775 N 0.58 0.30 -0.35 5.81 3.58 -0.96 -1.39 116.42 123.99 1wer h ASP 775 Ca 0.11 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 1wer h ASP 775 Cb 0.59 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 1wer h ASP 775 CO 0.03 0.58 0.01 -0.09 -2.88 0.00 0.00 179.24 176.90 1wer h ARG 776 N 0.27 0.61 -0.41 0.28 9.65 -1.02 -0.88 114.38 122.89 1wer h ARG 776 Ca 0.04 -0.19 0.01 0.00 -1.10 0.00 0.00 59.98 58.74 1wer h ARG 776 Cb 0.63 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 1wer h ARG 776 CO 0.05 0.72 0.25 0.93 2.80 0.00 0.00 179.97 184.71 1wer h GLU 777 N 0.43 0.50 -0.77 0.20 4.39 -0.93 -2.21 114.58 116.19 1wer h GLU 777 Ca 0.10 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.79 1wer h GLU 777 Cb 0.43 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.93 1wer h GLU 777 CO 0.02 0.33 0.50 0.82 -1.16 0.00 0.00 179.01 179.52 1wer h ILE 778 N 0.51 1.17 -0.17 3.13 2.04 -1.06 -2.55 117.51 120.59 1wer h ILE 778 Ca 0.16 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1wer h ILE 778 Cb -0.02 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 1wer h ILE 778 CO -0.06 0.19 -0.21 0.77 0.00 0.00 0.00 178.15 178.83 1wer h SER 779 N 1.02 0.28 0.67 1.72 4.64 -0.90 -2.64 113.55 118.34 1wer h SER 779 Ca 0.29 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1wer h SER 779 Cb -0.08 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 1wer h SER 779 CO -0.08 0.51 -0.17 0.23 -0.87 0.00 0.00 176.83 176.45 1wer n MET 780 N -4.18 0.21 -2.89 4.77 2.81 -0.85 -4.84 117.12 112.13 1wer n MET 780 Ca -0.01 -0.06 -0.41 0.00 -1.81 0.00 0.00 57.70 55.41 1wer n MET 780 Cb 0.34 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 1wer n MET 780 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1wer s GLU 781 N -2.84 4.30 0.00 0.03 2.56 -1.00 -4.92 118.70 116.83 1wer s GLU 781 Ca 0.18 1.01 0.19 0.00 0.00 0.00 0.00 54.97 56.34 1wer s GLU 781 Cb 0.19 -3.57 0.48 0.00 2.00 0.00 0.00 34.13 33.22 1wer s GLU 781 CO 0.56 -0.32 1.39 -0.40 -0.56 0.00 0.00 175.26 175.93 1wer n ASP 782 N 5.20 3.46 -3.42 -1.70 5.75 -1.26 -4.79 116.55 119.79 1wer n ASP 782 Ca 0.04 -1.97 -0.12 0.00 -0.01 0.00 0.00 54.79 52.73 1wer n ASP 782 Cb 0.49 -0.34 -0.10 0.00 -1.03 0.00 0.00 41.12 40.14 1wer n ASP 782 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1wer s GLU 783 N -1.09 0.29 0.63 0.11 2.56 -1.26 -5.04 118.70 114.91 1wer s GLU 783 Ca 0.38 0.48 0.39 0.00 0.00 0.00 0.00 54.97 56.22 1wer s GLU 783 Cb 0.20 -0.62 2.10 0.00 2.00 0.00 0.00 34.13 37.82 1wer s GLU 783 CO 0.27 -0.61 2.27 0.00 -0.56 0.00 0.00 175.26 176.63 1wer h ALA 784 N 8.22 1.10 0.00 6.30 0.00 -2.00 -1.61 119.26 131.27 1wer h ALA 784 Ca -0.18 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1wer h ALA 784 Cb 1.15 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1wer h ALA 784 CO 0.26 0.02 -0.22 1.79 0.00 0.00 0.00 179.25 181.09 1wer h THR 785 N 0.00 0.52 -0.66 0.00 1.35 -2.00 -3.00 112.91 109.11 1wer h THR 785 Ca -0.00 -1.16 0.00 0.00 -0.55 0.00 0.00 66.41 64.70 1wer h THR 785 Cb 0.11 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1wer h THR 785 CO 0.00 0.22 0.00 0.35 -0.25 0.00 0.00 175.52 175.84 1wer n THR 786 N -3.35 1.34 -1.81 6.82 -2.24 -0.61 -4.98 114.28 109.44 1wer n THR 786 Ca 0.00 -1.09 -0.42 0.00 -2.27 0.00 0.00 64.05 60.27 1wer n THR 786 Cb 0.45 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.00 1wer n THR 786 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1wer s LEU 787 N -1.35 4.39 -0.74 3.22 2.96 -1.14 -2.13 118.68 123.89 1wer s LEU 787 Ca 0.48 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.98 1wer s LEU 787 Cb 0.27 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.41 1wer s LEU 787 CO 0.28 -0.96 0.00 0.49 -1.32 0.00 0.00 176.35 174.84 1wer n PHE 788 N 6.14 0.00 0.06 5.38 3.72 -1.26 -4.89 117.46 126.62 1wer n PHE 788 Ca 0.17 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.42 1wer n PHE 788 Cb 0.40 -1.78 -0.06 0.00 -0.94 0.00 0.00 39.48 37.09 1wer n PHE 788 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1wer h ARG 789 N 0.18 0.48 -7.23 -1.08 9.65 -1.81 -3.46 114.38 111.11 1wer h ARG 789 Ca -0.14 -0.52 -0.51 0.00 -1.10 0.00 0.00 59.98 57.71 1wer h ARG 789 Cb 0.71 0.15 0.10 0.00 -1.39 0.00 0.00 29.97 29.53 1wer h ARG 789 CO 0.21 1.16 0.36 0.00 2.80 0.00 0.00 179.97 184.51 1wer s ALA 790 N -3.27 2.52 -0.41 2.80 0.00 -1.26 -4.98 121.76 117.17 1wer s ALA 790 Ca -0.07 0.41 -0.29 0.00 0.00 0.00 0.00 51.96 52.02 1wer s ALA 790 Cb 0.08 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.95 1wer s ALA 790 CO 0.88 -1.24 1.10 0.99 0.00 0.00 0.00 175.76 177.49 1wer s THR 791 N -2.53 4.35 0.35 0.00 2.01 -1.26 -4.87 115.64 113.68 1wer s THR 791 Ca 0.64 1.42 0.04 0.00 0.31 0.00 0.00 61.69 64.10 1wer s THR 791 Cb -0.18 -4.52 -0.06 0.00 0.01 0.00 0.00 72.50 67.75 1wer s THR 791 CO 0.44 -0.77 0.06 0.42 -0.69 0.00 0.00 174.62 174.07 1wer s THR 792 N 4.08 1.26 0.25 -0.82 -4.23 -1.26 -5.02 115.64 109.89 1wer s THR 792 Ca 0.46 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.92 1wer s THR 792 Cb -0.09 -2.77 0.23 0.00 1.34 0.00 0.00 72.50 71.20 1wer s THR 792 CO 0.24 0.00 1.86 0.25 -0.54 0.00 0.00 174.62 176.44 1wer h LEU 793 N 2.02 0.89 -0.04 4.79 5.85 -1.95 -0.71 115.31 126.16 1wer h LEU 793 Ca -0.41 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.35 1wer h LEU 793 Cb 1.25 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1wer h LEU 793 CO 0.70 0.58 -0.10 0.00 -0.34 0.00 0.00 178.44 179.28 1wer h ALA 794 N 1.41 -0.07 -0.09 1.25 0.00 -1.96 0.11 119.26 119.92 1wer h ALA 794 Ca 0.38 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.19 1wer h ALA 794 Cb 0.15 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1wer h ALA 794 CO -0.17 -0.58 -0.49 0.66 0.00 0.00 0.00 179.25 178.68 1wer h SER 795 N -0.15 0.24 -0.36 0.00 4.64 -1.83 -1.42 113.55 114.67 1wer h SER 795 Ca 0.05 -0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.09 1wer h SER 795 Cb 0.21 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1wer h SER 795 CO -0.13 0.69 -0.41 0.74 -0.87 0.00 0.00 176.83 176.86 1wer h THR 796 N 0.18 1.27 -0.47 2.95 2.02 -0.81 -1.18 112.91 116.88 1wer h THR 796 Ca 0.01 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 1wer h THR 796 Cb 0.93 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 1wer h THR 796 CO 0.08 0.53 0.24 -0.07 0.37 0.00 0.00 175.52 176.66 1wer h LEU 797 N 0.71 0.60 -0.87 2.58 3.38 -0.62 -1.57 115.31 119.54 1wer h LEU 797 Ca 0.05 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1wer h LEU 797 Cb 1.01 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 1wer h LEU 797 CO 0.10 0.54 0.52 0.24 0.09 0.00 0.00 178.44 179.93 1wer h MET 798 N 0.62 1.18 -0.27 1.13 2.86 -0.98 1.00 114.93 120.47 1wer h MET 798 Ca 0.16 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 1wer h MET 798 Cb 0.09 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1wer h MET 798 CO -0.02 0.83 -0.00 0.93 1.06 0.00 0.00 176.91 179.71 1wer h GLU 799 N 1.20 0.48 -0.90 1.72 5.08 -0.98 0.00 114.58 121.19 1wer h GLU 799 Ca 0.31 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 1wer h GLU 799 Cb -0.04 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.12 1wer h GLU 799 CO -0.06 0.65 0.48 1.96 -1.00 0.00 0.00 179.01 181.04 1wer h GLN 800 N 0.27 1.26 -0.18 2.33 4.20 -1.06 -0.25 115.11 121.67 1wer h GLN 800 Ca 0.08 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1wer h GLN 800 Cb 0.43 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.96 1wer h GLN 800 CO 0.01 0.93 -0.08 -0.92 -0.67 0.00 0.00 178.83 178.10 1wer h TYR 801 N 1.26 0.43 -0.61 2.96 3.20 -0.51 -1.39 116.97 122.31 1wer h TYR 801 Ca 0.31 -0.10 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1wer h TYR 801 Cb 0.04 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1wer h TYR 801 CO 0.01 0.67 0.16 0.52 -1.64 0.00 0.00 178.16 177.88 1wer h MET 802 N 0.07 0.94 -0.71 1.82 2.86 -0.85 -1.63 114.93 117.43 1wer h MET 802 Ca 0.04 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1wer h MET 802 Cb 0.55 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1wer h MET 802 CO 0.02 0.83 0.47 -0.22 1.06 0.00 0.00 176.91 179.07 1wer h LYS 803 N 0.90 0.93 0.00 1.72 3.64 -0.88 0.23 116.57 123.11 1wer h LYS 803 Ca 0.20 -0.06 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 1wer h LYS 803 Cb 0.31 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 1wer h LYS 803 CO -0.00 0.62 -0.46 0.00 -2.27 0.00 0.00 179.45 177.34 1wer h ALA 804 N 1.26 1.11 0.00 5.00 0.00 -0.70 -3.37 119.26 122.56 1wer h ALA 804 Ca 0.26 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1wer h ALA 804 Cb -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1wer h ALA 804 CO -0.06 0.58 -1.00 0.25 0.00 0.00 0.00 179.25 179.02 1wer n THR 805 N -3.81 0.00 -0.87 0.00 -2.24 -0.66 -4.77 114.28 101.93 1wer n THR 805 Ca -0.01 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.85 1wer n THR 805 Cb 0.51 0.49 0.36 0.00 -2.10 0.00 0.00 70.33 69.59 1wer n THR 805 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wer n ALA 806 N -1.50 3.51 -0.37 6.98 0.00 0.78 -4.57 120.51 125.34 1wer n ALA 806 Ca 0.00 -1.95 -0.03 0.00 0.00 0.00 0.00 53.44 51.46 1wer n ALA 806 Cb 0.00 -0.99 0.10 0.00 0.00 0.00 0.00 19.45 18.57 1wer n ALA 806 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wer h THR 807 N 3.45 1.26 -0.33 0.00 2.02 -1.75 -0.51 112.91 117.04 1wer h THR 807 Ca 0.00 -0.51 -0.13 0.00 0.77 0.00 0.00 66.41 66.54 1wer h THR 807 Cb 1.75 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 1wer h THR 807 CO 0.38 0.26 -0.32 1.56 0.37 0.00 0.00 175.52 177.77 1wer h GLN 808 N 1.34 0.72 -0.17 6.66 4.20 -1.94 0.10 115.11 126.02 1wer h GLN 808 Ca 0.36 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1wer h GLN 808 Cb -0.11 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1wer h GLN 808 CO -0.07 0.94 0.08 0.35 -0.67 0.00 0.00 178.83 179.46 1wer h PHE 809 N 0.61 0.24 -0.84 2.96 3.57 -1.69 0.27 116.94 122.06 1wer h PHE 809 Ca 0.07 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 1wer h PHE 809 Cb 0.83 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.46 1wer h PHE 809 CO 0.04 0.26 0.40 0.28 -2.23 0.00 0.00 178.31 177.07 1wer h VAL 810 N 0.15 1.26 -0.05 1.41 2.07 -0.75 0.16 116.25 120.49 1wer h VAL 810 Ca 0.06 -0.73 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 1wer h VAL 810 Cb 0.11 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.06 1wer h VAL 810 CO -0.01 0.31 -0.02 0.45 0.02 0.00 0.00 177.57 178.33 1wer h HIS 811 N 1.20 0.12 -0.88 1.57 3.86 -0.84 0.12 115.15 120.30 1wer h HIS 811 Ca 0.29 -0.03 0.09 0.00 -1.16 0.00 0.00 60.37 59.56 1wer h HIS 811 Cb 0.12 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.49 1wer h HIS 811 CO 0.01 0.46 0.53 0.45 0.86 0.00 0.00 177.93 180.24 1wer h HIS 812 N -0.26 0.96 -0.25 2.45 -0.00 -0.71 -0.65 115.15 116.70 1wer h HIS 812 Ca 0.01 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.25 1wer h HIS 812 Cb 0.43 -0.30 0.00 0.00 -0.00 0.00 0.00 27.41 27.53 1wer h HIS 812 CO 0.06 0.42 -0.47 0.00 -0.00 0.00 0.00 177.93 177.94 1wer h ALA 813 N 1.46 0.39 0.00 2.45 0.00 -0.56 -3.42 119.26 119.58 1wer h ALA 813 Ca 0.41 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wer h ALA 813 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1wer h ALA 813 CO -0.23 0.55 -1.04 1.28 0.00 0.00 0.00 179.25 179.81 1wer n LEU 814 N -4.13 0.27 -0.01 0.00 4.77 0.02 -4.18 117.00 113.75 1wer n LEU 814 Ca -0.05 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 1wer n LEU 814 Cb 0.58 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 1wer n LEU 814 CO 0.48 0.06 0.71 0.50 -1.33 0.00 0.00 177.39 177.81 1wer h LYS 815 N 0.00 -0.27 -0.72 3.23 3.64 -1.24 -1.21 116.57 119.99 1wer h LYS 815 Ca -0.02 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1wer h LYS 815 Cb 1.04 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 1wer h LYS 815 CO 0.00 -0.18 0.36 -0.44 -2.27 0.00 0.00 179.45 176.92 1wer h ASP 816 N -0.28 0.94 -0.50 4.20 3.32 -1.89 -0.88 116.42 121.33 1wer h ASP 816 Ca 0.11 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1wer h ASP 816 Cb 0.44 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1wer h ASP 816 CO -0.31 0.80 0.11 0.28 -1.72 0.00 0.00 179.24 178.40 1wer h SER 817 N 1.01 0.77 -0.36 6.45 0.02 -1.80 -2.49 113.55 117.15 1wer h SER 817 Ca 0.25 -0.24 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 1wer h SER 817 Cb 0.10 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1wer h SER 817 CO -0.03 0.81 -0.38 0.40 -1.14 0.00 0.00 176.83 176.49 1wer h ILE 818 N 0.70 1.27 -0.25 3.27 2.04 -0.94 -1.85 117.51 121.75 1wer h ILE 818 Ca 0.16 -1.55 -0.08 0.00 1.00 0.00 0.00 64.86 64.38 1wer h ILE 818 Cb 0.35 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1wer h ILE 818 CO 0.00 0.52 -0.21 -0.07 0.00 0.00 0.00 178.15 178.40 1wer h LEU 819 N 0.75 0.44 -0.39 1.44 3.38 -1.16 0.15 115.31 119.92 1wer h LEU 819 Ca 0.06 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1wer h LEU 819 Cb 0.97 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1wer h LEU 819 CO 0.09 0.66 0.10 0.11 0.09 0.00 0.00 178.44 179.49 1wer h LYS 820 N 0.40 0.62 -0.69 1.13 1.57 -1.30 -2.81 116.57 115.49 1wer h LYS 820 Ca 0.07 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1wer h LYS 820 Cb 0.59 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 1wer h LYS 820 CO 0.04 0.64 0.40 0.82 -0.57 0.00 0.00 179.45 180.79 1wer h ILE 821 N 0.48 1.20 -0.14 1.86 2.04 -0.63 -1.35 117.51 120.97 1wer h ILE 821 Ca 0.12 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.56 1wer h ILE 821 Cb 0.30 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1wer h ILE 821 CO 0.00 0.21 0.10 0.24 0.00 0.00 0.00 178.15 178.71 1wer h MET 822 N 0.94 0.00 -0.00 2.37 2.86 -0.91 -1.97 114.93 118.21 1wer h MET 822 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1wer h MET 822 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 1wer h MET 822 CO -0.04 0.00 -0.83 0.39 1.06 0.00 0.00 176.91 177.49 1wer n GLU 823 N -4.42 0.18 -3.04 1.72 1.02 -0.79 -4.82 120.64 110.50 1wer n GLU 823 Ca 0.00 -0.15 -0.37 0.00 -0.02 0.00 0.00 57.16 56.62 1wer n GLU 823 Cb 0.23 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 1wer n GLU 823 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1wer s SER 824 N -2.92 7.19 0.00 1.62 0.15 -0.58 -4.96 113.70 114.21 1wer s SER 824 Ca 0.10 1.52 0.20 0.00 0.70 0.00 0.00 55.95 58.48 1wer s SER 824 Cb 0.17 -2.46 -0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1wer s SER 824 CO 0.79 0.10 0.99 1.17 1.20 0.00 0.00 173.24 177.49 1wer n LYS 825 N 1.05 1.20 -3.12 5.44 4.81 -1.26 -4.73 118.16 121.55 1wer n LYS 825 Ca -0.03 -0.78 -0.40 0.00 -0.87 0.00 0.00 58.31 56.23 1wer n LYS 825 Cb 0.50 -1.42 -0.05 0.00 0.02 0.00 0.00 35.03 34.08 1wer n LYS 825 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1wer s GLN 826 N -2.41 4.29 0.47 1.64 2.00 -1.26 -5.04 119.66 119.35 1wer s GLN 826 Ca 0.15 0.67 -0.21 0.00 -2.00 0.00 0.00 55.36 53.97 1wer s GLN 826 Cb 0.16 -3.52 -0.09 0.00 0.80 0.00 0.00 33.01 30.36 1wer s GLN 826 CO 0.58 -0.10 1.03 0.45 -0.50 0.00 0.00 175.29 176.74 1wer s SER 827 N 1.00 6.45 -0.06 6.67 0.15 -1.26 -4.96 113.70 121.69 1wer s SER 827 Ca 0.31 1.91 0.10 0.00 0.70 0.00 0.00 55.95 58.97 1wer s SER 827 Cb -0.16 -2.56 0.26 0.00 -1.71 0.00 0.00 66.02 61.85 1wer s SER 827 CO 0.12 -0.71 1.20 0.00 1.20 0.00 0.00 173.24 175.05 1wer n GLU 829 N -0.32 2.56 -0.00 0.00 4.07 -1.26 -4.76 120.64 120.92 1wer n GLU 829 Ca 0.11 0.93 0.05 0.00 -0.06 0.00 0.00 57.16 58.19 1wer n GLU 829 Cb 0.50 -2.80 -0.07 0.00 -0.06 0.00 0.00 31.44 29.01 1wer n GLU 829 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1wer n LEU 830 N 5.81 0.11 -4.58 4.31 4.77 -1.26 -4.69 117.00 121.47 1wer n LEU 830 Ca 0.19 -0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.62 1wer n LEU 830 Cb 0.35 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1wer n LEU 830 CO 0.68 0.03 1.17 -0.44 -1.33 0.00 0.00 177.39 177.49 1wer s SER 831 N -2.74 6.32 0.41 -1.43 0.01 -1.26 -4.89 113.70 110.11 1wer s SER 831 Ca -0.02 0.27 0.16 0.00 1.31 0.00 0.00 55.95 57.67 1wer s SER 831 Cb 0.06 -2.55 1.03 0.00 0.21 0.00 0.00 66.02 64.77 1wer s SER 831 CO 0.38 -1.56 1.86 -0.65 0.41 0.00 0.00 173.24 173.69 1wer h PRO 832 N 10.26 0.45 0.00 12.44 0.11 -2.00 0.90 132.00 154.17 1wer h PRO 832 Ca -0.26 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1wer h PRO 832 Cb 1.08 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1wer h PRO 832 CO 1.17 0.30 -0.20 0.66 -0.21 0.00 0.00 178.00 179.71 1wer h SER 833 N 0.46 0.00 -0.00 -2.05 4.64 -2.01 -1.35 113.55 113.24 1wer h SER 833 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 1wer h SER 833 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1wer h SER 833 CO -0.18 0.20 -0.00 0.29 -0.87 0.00 0.00 176.83 176.27 1wer n LYS 834 N -3.47 1.47 0.09 4.77 5.02 0.30 -3.75 118.16 122.58 1wer n LYS 834 Ca -0.01 -0.70 -0.06 0.00 -2.02 0.00 0.00 58.31 55.53 1wer n LYS 834 Cb 0.38 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 34.00 1wer n LYS 834 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1wer h LEU 835 N 1.71 0.26 0.00 -0.35 3.38 -1.12 -3.46 115.31 115.73 1wer h LEU 835 Ca 0.00 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wer h LEU 835 Cb 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1wer h LEU 835 CO 0.00 0.84 0.00 -0.62 0.09 0.00 0.00 178.44 178.75 1wer n GLU 836 N -3.83 0.00 -2.80 1.13 1.02 -1.25 -3.50 120.64 111.41 1wer n GLU 836 Ca -0.03 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 1wer n GLU 836 Cb 0.65 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.08 1wer n GLU 836 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1wer n LYS 837 N 0.00 4.32 -2.66 3.49 5.02 -1.26 -4.90 118.16 122.17 1wer n LYS 837 Ca 0.00 -4.29 -0.05 0.00 -2.02 0.00 0.00 58.31 51.95 1wer n LYS 837 Cb 0.00 -2.61 0.01 0.00 -0.02 0.00 0.00 35.03 32.40 1wer n LYS 837 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wer n ASN 838 N 1.90 -7.30 -2.26 4.39 4.13 -1.23 -5.09 115.26 109.79 1wer n ASN 838 Ca 0.31 0.71 -0.11 0.00 1.68 0.00 0.00 54.58 57.17 1wer n ASN 838 Cb 0.33 -4.89 -0.04 0.00 -1.54 0.00 0.00 39.78 33.64 1wer n ASN 838 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 1wer n GLU 839 N -0.05 0.24 -4.10 3.52 0.28 -1.26 -5.16 120.64 114.11 1wer n GLU 839 Ca 0.08 -1.88 -0.33 0.00 -0.16 0.00 0.00 57.16 54.86 1wer n GLU 839 Cb 0.29 1.56 -0.16 0.00 1.43 0.00 0.00 31.44 34.56 1wer n GLU 839 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 1wer s ASP 840 N -2.32 3.52 0.27 -1.84 2.15 -1.26 -5.00 116.67 112.18 1wer s ASP 840 Ca 0.22 -0.84 -0.01 0.00 0.43 0.00 0.00 52.55 52.35 1wer s ASP 840 Cb 0.01 -1.51 0.50 0.00 -0.30 0.00 0.00 42.92 41.62 1wer s ASP 840 CO 0.16 -0.05 1.82 -0.37 -0.17 0.00 0.00 175.17 176.55 1wer h VAL 841 N 6.15 0.88 -0.63 1.11 -1.51 -1.95 -0.77 116.25 119.54 1wer h VAL 841 Ca -0.39 -0.30 0.06 0.00 -1.23 0.00 0.00 66.70 64.85 1wer h VAL 841 Cb 1.11 -0.06 -0.06 0.00 -2.13 0.00 0.00 31.29 30.16 1wer h VAL 841 CO 0.59 0.16 0.33 0.78 -1.23 0.00 0.00 177.57 178.20 1wer h ASN 842 N 0.87 0.48 -0.49 4.19 -0.26 -1.94 0.44 115.58 118.87 1wer h ASN 842 Ca 0.46 0.04 -0.10 0.00 -0.56 0.00 0.00 56.30 56.13 1wer h ASN 842 Cb 0.48 -0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 1wer h ASN 842 CO -0.28 0.31 -0.09 0.74 -1.06 0.00 0.00 177.43 177.06 1wer h THR 843 N 0.62 1.26 0.00 2.81 2.02 -1.73 -1.42 112.91 116.47 1wer h THR 843 Ca 0.29 -1.22 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 1wer h THR 843 Cb 0.21 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1wer h THR 843 CO -0.19 0.43 -0.29 0.78 0.37 0.00 0.00 175.52 176.61 1wer h ASN 844 N 0.86 0.00 0.12 4.18 -0.26 0.37 -2.33 115.58 118.52 1wer h ASN 844 Ca 0.14 0.00 -0.19 0.00 -0.56 0.00 0.00 56.30 55.69 1wer h ASN 844 Cb 0.63 0.00 0.02 0.00 -1.06 0.00 0.00 38.32 37.91 1wer h ASN 844 CO 0.04 0.29 -0.83 0.25 -1.06 0.00 0.00 177.43 176.12 1wer h LEU 845 N 0.00 0.53 -0.79 1.61 5.85 0.18 -2.07 115.31 120.63 1wer h LEU 845 Ca -0.00 -0.90 0.04 0.00 0.84 0.00 0.00 57.88 57.85 1wer h LEU 845 Cb 0.54 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1wer h LEU 845 CO 0.04 1.38 0.50 0.74 -0.34 0.00 0.00 178.44 180.76 1wer h THR 846 N -0.25 1.10 0.08 1.05 2.02 -1.16 0.05 112.91 115.81 1wer h THR 846 Ca -0.14 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1wer h THR 846 Cb 1.61 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1wer h THR 846 CO 0.16 0.17 -0.04 -0.74 0.37 0.00 0.00 175.52 175.44 1wer h HIS 847 N 0.96 -0.11 -0.85 3.16 -0.00 -1.46 -0.65 115.15 116.21 1wer h HIS 847 Ca 0.32 -0.00 0.07 0.00 -0.00 0.00 0.00 60.37 60.75 1wer h HIS 847 Cb 0.04 0.03 -0.06 0.00 -0.00 0.00 0.00 27.41 27.42 1wer h HIS 847 CO -0.03 0.02 0.52 1.25 -0.00 0.00 0.00 177.93 179.69 1wer h LEU 848 N -0.21 0.80 -1.06 0.26 5.85 -1.02 -0.59 115.31 119.33 1wer h LEU 848 Ca -0.01 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1wer h LEU 848 Cb 0.18 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1wer h LEU 848 CO 0.02 0.50 -0.08 -0.07 -0.34 0.00 0.00 178.44 178.47 1wer h LEU 849 N 0.93 0.55 -0.27 2.25 3.38 -0.67 -0.00 115.31 121.47 1wer h LEU 849 Ca 0.38 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 1wer h LEU 849 Cb 0.21 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1wer h LEU 849 CO -0.19 0.68 0.01 0.78 0.09 0.00 0.00 178.44 179.81 1wer h ASN 850 N 0.54 0.47 -0.40 -0.43 -0.26 -0.31 -1.55 115.58 113.63 1wer h ASN 850 Ca 0.10 -0.30 0.06 0.00 -0.56 0.00 0.00 56.30 55.60 1wer h ASN 850 Cb 0.46 -0.13 -0.05 0.00 -1.06 0.00 0.00 38.32 37.54 1wer h ASN 850 CO 0.02 0.65 0.09 0.40 -1.06 0.00 0.00 177.43 177.54 1wer h ILE 851 N 0.27 0.81 -0.55 2.81 2.04 -0.88 -2.56 117.51 119.45 1wer h ILE 851 Ca 0.08 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1wer h ILE 851 Cb 0.41 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 1wer h ILE 851 CO 0.01 0.04 0.19 -0.07 0.00 0.00 0.00 178.15 178.32 1wer h LEU 852 N 0.23 0.80 0.41 1.44 3.38 -0.87 -1.11 115.31 119.58 1wer h LEU 852 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1wer h LEU 852 Cb 0.22 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wer h LEU 852 CO -0.24 0.78 -0.25 0.28 0.09 0.00 0.00 178.44 179.11 1wer h SER 853 N 0.77 -0.62 -0.63 -0.43 0.02 -1.19 -0.11 113.55 111.35 1wer h SER 853 Ca 0.18 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1wer h SER 853 Cb 0.26 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.93 1wer h SER 853 CO -0.01 -0.40 0.36 -0.08 -1.14 0.00 0.00 176.83 175.56 1wer h GLU 854 N -0.63 0.66 -0.15 3.45 4.81 -1.37 -2.00 114.58 119.35 1wer h GLU 854 Ca -0.05 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1wer h GLU 854 Cb 0.51 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1wer h GLU 854 CO 0.05 0.43 0.05 1.25 -0.73 0.00 0.00 179.01 180.06 1wer h LEU 855 N 0.68 0.21 -1.09 1.64 5.85 -0.97 -2.15 115.31 119.49 1wer h LEU 855 Ca 0.27 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1wer h LEU 855 Cb 0.13 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 1wer h LEU 855 CO -0.16 0.35 -0.28 0.58 -0.34 0.00 0.00 178.44 178.60 1wer h VAL 856 N 0.07 1.26 -0.50 1.05 2.07 -0.81 -0.19 116.25 119.19 1wer h VAL 856 Ca 0.05 -1.22 -0.05 0.00 0.82 0.00 0.00 66.70 66.29 1wer h VAL 856 Cb 0.21 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1wer h VAL 856 CO -0.00 0.37 0.10 -0.08 0.02 0.00 0.00 177.57 177.98 1wer h GLU 857 N 0.27 0.82 -0.44 1.57 4.81 -1.27 -0.68 114.58 119.66 1wer h GLU 857 Ca 0.04 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1wer h GLU 857 Cb 0.64 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 1wer h GLU 857 CO 0.05 0.80 0.03 0.87 -0.73 0.00 0.00 179.01 180.03 1wer h LYS 858 N 0.70 0.69 -0.00 1.92 1.57 -0.61 -1.68 116.57 119.16 1wer h LYS 858 Ca 0.16 -0.16 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1wer h LYS 858 Cb 0.37 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1wer h LYS 858 CO 0.01 0.68 -0.00 0.82 -0.57 0.00 0.00 179.45 180.39 1wer h ILE 859 N 0.66 1.36 -0.75 1.86 2.04 -0.83 -2.55 117.51 119.29 1wer h ILE 859 Ca 0.14 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.87 1wer h ILE 859 Cb 0.36 2.09 -0.03 0.00 -0.74 0.00 0.00 36.82 38.50 1wer h ILE 859 CO 0.01 0.28 0.26 -0.26 0.00 0.00 0.00 178.15 178.44 1wer h PHE 860 N -0.45 1.19 0.00 1.37 0.04 -0.99 -1.95 116.94 116.15 1wer h PHE 860 Ca 0.00 -0.11 0.00 0.00 2.80 0.00 0.00 57.97 60.66 1wer h PHE 860 Cb 0.46 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.26 1wer h PHE 860 CO 0.08 0.92 0.00 -1.33 -0.60 0.00 0.00 178.31 177.38 1wer n MET 861 N -4.26 0.42 -0.03 1.51 2.81 -0.64 -2.40 117.12 114.52 1wer n MET 861 Ca 0.06 0.01 0.11 0.00 -1.81 0.00 0.00 57.70 56.08 1wer n MET 861 Cb 0.21 -1.50 0.51 0.00 -0.71 0.00 0.00 33.22 31.74 1wer n MET 861 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1wer n ALA 862 N -1.29 2.57 -0.22 3.04 0.00 -0.73 -4.47 120.51 119.41 1wer n ALA 862 Ca 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 53.44 53.21 1wer n ALA 862 Cb 0.23 -1.21 0.06 0.00 0.00 0.00 0.00 19.45 18.54 1wer n ALA 862 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wer h SER 863 N 1.39 -0.73 0.80 0.00 0.87 -1.56 -0.54 113.55 113.77 1wer h SER 863 Ca 0.00 0.21 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1wer h SER 863 Cb 0.30 0.45 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1wer h SER 863 CO 0.00 -0.24 0.00 -0.33 -0.53 0.00 0.00 176.83 175.73 1wer h GLU 864 N -0.04 0.00 0.00 2.24 4.39 -1.87 -2.56 114.58 116.74 1wer h GLU 864 Ca 0.31 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.86 1wer h GLU 864 Cb 0.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1wer h GLU 864 CO -0.69 0.00 -0.69 0.82 -1.16 0.00 0.00 179.01 177.29 1wer h ILE 865 N 0.00 1.45 -2.57 3.13 1.08 -1.41 -3.45 117.51 115.74 1wer h ILE 865 Ca 0.00 -2.39 -0.53 0.00 -0.39 0.00 0.00 64.86 61.55 1wer h ILE 865 Cb 0.40 2.30 0.06 0.00 -3.07 0.00 0.00 36.82 36.51 1wer h ILE 865 CO 0.00 0.67 1.00 -0.11 -0.69 0.00 0.00 178.15 179.02 1wer n LEU 866 N -3.65 3.87 -4.74 1.44 7.94 -0.97 -4.56 117.00 116.33 1wer n LEU 866 Ca -0.01 1.05 -0.38 0.00 -1.11 0.00 0.00 56.01 55.56 1wer n LEU 866 Cb 0.69 -1.55 0.05 0.00 0.53 0.00 0.00 43.42 43.14 1wer n LEU 866 CO 0.43 0.11 0.97 -2.65 -1.11 0.00 0.00 177.39 175.14 1wer n PRO 867 N 4.14 1.58 -0.23 1.96 -0.02 -1.26 -4.82 135.00 136.35 1wer n PRO 867 Ca 0.16 0.59 -0.02 0.00 -2.02 0.00 0.00 63.50 62.22 1wer n PRO 867 Cb 0.34 -2.57 0.18 0.00 -0.02 0.00 0.00 33.50 31.43 1wer n PRO 867 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1wer h PRO 868 N 1.25 1.03 -0.55 0.52 0.11 -1.93 -1.97 132.00 130.47 1wer h PRO 868 Ca -0.51 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 65.42 1wer h PRO 868 Cb 1.31 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1wer h PRO 868 CO 0.56 0.77 0.08 1.15 -0.21 0.00 0.00 178.00 180.35 1wer h THR 869 N 1.04 1.26 -0.69 -1.15 2.02 -1.95 0.98 112.91 114.41 1wer h THR 869 Ca 0.26 -0.98 -0.06 0.00 0.77 0.00 0.00 66.41 66.40 1wer h THR 869 Cb 0.04 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1wer h THR 869 CO -0.04 0.36 0.19 0.25 0.37 0.00 0.00 175.52 176.65 1wer h LEU 870 N 0.81 1.03 -1.15 2.58 5.85 -1.83 0.04 115.31 122.65 1wer h LEU 870 Ca 0.17 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1wer h LEU 870 Cb 0.42 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1wer h LEU 870 CO 0.01 0.98 -0.02 0.03 -0.34 0.00 0.00 178.44 179.10 1wer h ARG 871 N 1.03 0.57 -0.54 1.25 3.08 -1.03 -0.37 114.38 118.35 1wer h ARG 871 Ca 0.22 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1wer h ARG 871 Cb 0.33 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1wer h ARG 871 CO -0.00 0.61 0.09 -0.92 -1.07 0.00 0.00 179.97 178.67 1wer h TYR 872 N 0.54 0.96 -0.67 3.04 3.20 0.05 0.41 116.97 124.49 1wer h TYR 872 Ca 0.11 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 1wer h TYR 872 Cb 0.37 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.35 1wer h TYR 872 CO 0.01 0.85 0.29 0.82 -1.64 0.00 0.00 178.16 178.49 1wer h ILE 873 N 0.79 1.23 -0.48 1.81 2.04 -0.48 -1.34 117.51 121.08 1wer h ILE 873 Ca 0.17 -0.68 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1wer h ILE 873 Cb 0.41 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1wer h ILE 873 CO 0.01 0.28 0.18 1.88 0.00 0.00 0.00 178.15 180.50 1wer h TYR 874 N 0.96 0.74 -0.18 1.37 0.05 -0.70 -1.89 116.97 117.32 1wer h TYR 874 Ca 0.23 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.95 1wer h TYR 874 Cb 0.15 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.66 1wer h TYR 874 CO 0.01 0.63 0.11 0.78 -1.05 0.00 0.00 178.16 178.64 1wer h GLY 875 N 0.63 0.25 1.42 3.88 0.00 -0.46 -1.41 103.07 107.38 1wer h GLY 875 Ca 0.16 -0.10 -0.18 0.00 0.00 0.00 0.00 47.33 47.21 1wer h GLY 875 CO -0.01 0.09 -0.65 0.00 0.00 0.00 0.00 176.54 175.97 1wer h LEU 877 N 0.43 0.74 -0.15 0.00 3.38 -0.61 -1.11 115.31 117.99 1wer h LEU 877 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wer h LEU 877 Cb 1.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1wer h LEU 877 CO 0.12 0.51 0.05 1.56 0.09 0.00 0.00 178.44 180.78 1wer h GLN 878 N 0.88 0.23 -0.37 1.13 4.20 -1.05 -1.42 115.11 118.72 1wer h GLN 878 Ca 0.29 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1wer h GLN 878 Cb 0.03 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 1wer h GLN 878 CO -0.11 0.34 0.11 0.87 -0.67 0.00 0.00 178.83 179.36 1wer h LYS 879 N 0.07 0.53 -0.35 1.46 1.79 -1.16 -2.10 116.57 116.81 1wer h LYS 879 Ca 0.05 -0.08 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 1wer h LYS 879 Cb 0.20 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1wer h LYS 879 CO -0.00 0.47 -0.14 0.77 -1.08 0.00 0.00 179.45 179.47 1wer h SER 880 N 0.52 0.73 1.04 0.86 0.02 -0.87 -2.56 113.55 113.29 1wer h SER 880 Ca 0.12 -0.39 -0.11 0.00 -0.84 0.00 0.00 61.79 60.57 1wer h SER 880 Cb 0.17 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1wer h SER 880 CO -0.01 0.96 -0.54 -0.37 -1.14 0.00 0.00 176.83 175.73 1wer h VAL 881 N 0.50 1.08 -0.49 2.27 -1.51 -1.04 -2.32 116.25 114.74 1wer h VAL 881 Ca 0.08 -2.12 -0.08 0.00 -1.23 0.00 0.00 66.70 63.36 1wer h VAL 881 Cb 0.67 2.26 -0.02 0.00 -2.13 0.00 0.00 31.29 32.06 1wer h VAL 881 CO 0.05 0.53 -0.01 1.56 -1.23 0.00 0.00 177.57 178.47 1wer h GLN 882 N 0.00 0.81 -0.28 5.19 4.20 -1.32 0.32 115.11 124.03 1wer h GLN 882 Ca -0.01 -0.23 -0.16 0.00 0.06 0.00 0.00 58.65 58.32 1wer h GLN 882 Cb 1.21 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.90 1wer h GLN 882 CO 0.07 0.82 -0.45 1.25 -0.67 0.00 0.00 178.83 179.85 1wer h HIS 883 N 0.76 0.99 -0.10 2.96 2.76 -1.30 -3.05 115.15 118.16 1wer h HIS 883 Ca 0.14 -0.34 -0.20 0.00 -2.20 0.00 0.00 60.37 57.77 1wer h HIS 883 Cb 0.47 -0.19 0.01 0.00 1.55 0.00 0.00 27.41 29.25 1wer h HIS 883 CO 0.03 1.14 -0.72 -0.22 -1.30 0.00 0.00 177.93 176.85 1wer h LYS 884 N 0.55 0.68 -2.66 5.26 1.63 -1.21 -3.38 116.57 117.44 1wer h LYS 884 Ca 0.02 -0.59 -0.60 0.00 -0.85 0.00 0.00 60.65 58.63 1wer h LYS 884 Cb 1.05 0.13 -0.41 0.00 -0.60 0.00 0.00 32.23 32.41 1wer h LYS 884 CO 0.10 1.20 -0.73 0.91 -3.45 0.00 0.00 179.45 177.48 1wer n TRP 885 N -4.03 1.88 0.29 1.91 8.01 0.08 -4.98 117.44 120.60 1wer n TRP 885 Ca -0.08 -3.95 0.19 0.00 -1.31 0.00 0.00 57.50 52.34 1wer n TRP 885 Cb 0.72 -0.35 0.81 0.00 -2.01 0.00 0.00 31.31 30.48 1wer n TRP 885 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1wer h PRO 886 N 5.16 0.00 -0.02 -0.99 0.11 -1.72 -2.09 132.00 132.45 1wer h PRO 886 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1wer h PRO 886 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1wer h PRO 886 CO 0.62 0.00 -0.19 0.25 -0.21 0.00 0.00 178.00 178.47 1wer n THR 887 N -3.08 0.00 -3.06 -1.15 -2.24 -1.26 -4.80 114.28 98.69 1wer n THR 887 Ca -0.00 -0.40 -0.44 0.00 -2.27 0.00 0.00 64.05 60.94 1wer n THR 887 Cb 0.25 1.38 -0.05 0.00 -2.10 0.00 0.00 70.33 69.80 1wer n THR 887 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1wer s ASN 888 N -2.10 6.24 -0.02 3.42 3.84 -0.79 -4.92 114.94 120.62 1wer s ASN 888 Ca 0.23 -0.82 0.10 0.00 0.21 0.00 0.00 52.86 52.57 1wer s ASN 888 Cb 0.18 -2.33 0.32 0.00 -0.55 0.00 0.00 41.25 38.87 1wer s ASN 888 CO 0.39 -1.01 1.23 0.35 -2.79 0.00 0.00 177.10 175.27 1wer n THR 889 N 5.76 0.59 -0.04 -5.21 -2.24 -1.26 -3.99 114.28 107.89 1wer n THR 889 Ca -0.05 -0.49 -0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1wer n THR 889 Cb 0.46 0.13 -0.10 0.00 -2.10 0.00 0.00 70.33 68.72 1wer n THR 889 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1wer n THR 890 N 0.47 0.45 0.18 4.28 5.66 -1.26 -4.54 114.28 119.52 1wer n THR 890 Ca 0.12 -0.42 0.04 0.00 -3.05 0.00 0.00 64.05 60.74 1wer n THR 890 Cb 0.35 -0.27 0.44 0.00 -1.55 0.00 0.00 70.33 69.30 1wer n THR 890 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 175.07 172.26 1wer h MET 891 N 0.00 0.09 0.00 1.09 2.86 -1.94 -2.62 114.93 114.41 1wer h MET 891 Ca -0.18 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1wer h MET 891 Cb 1.22 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.86 1wer h MET 891 CO 0.01 0.28 -0.09 0.07 1.06 0.00 0.00 176.91 178.24 1wer h ARG 892 N 0.08 0.00 0.03 1.72 0.11 -1.85 -0.35 114.38 114.12 1wer h ARG 892 Ca 0.02 0.00 -0.35 0.00 0.10 0.00 0.00 59.98 59.75 1wer h ARG 892 Cb 0.39 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.42 1wer h ARG 892 CO 0.03 0.09 -2.11 0.25 0.10 0.00 0.00 179.97 178.33 1wer n THR 893 N -3.48 1.57 -0.19 0.08 -2.24 -1.09 -4.24 114.28 104.70 1wer n THR 893 Ca -0.01 -0.73 -0.06 0.00 -2.27 0.00 0.00 64.05 60.97 1wer n THR 893 Cb 0.24 -1.14 0.10 0.00 -2.10 0.00 0.00 70.33 67.43 1wer n THR 893 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1wer h ARG 894 N 0.02 0.98 0.00 -0.78 3.08 -1.08 -1.46 114.38 115.14 1wer h ARG 894 Ca -0.45 -0.25 -0.10 0.00 0.07 0.00 0.00 59.98 59.25 1wer h ARG 894 Cb 2.06 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 31.97 1wer h ARG 894 CO 0.03 0.92 -0.46 -0.24 -1.07 0.00 0.00 179.97 179.15 1wer h VAL 895 N 0.92 1.26 0.05 2.04 3.04 -1.29 -1.84 116.25 120.44 1wer h VAL 895 Ca 0.18 -1.62 -0.27 0.00 -1.01 0.00 0.00 66.70 63.98 1wer h VAL 895 Cb 0.42 1.89 0.02 0.00 -2.01 0.00 0.00 31.29 31.62 1wer h VAL 895 CO 0.01 0.45 -1.11 0.58 -1.01 0.00 0.00 177.57 176.50 1wer h VAL 896 N 0.00 1.31 -0.96 1.51 2.07 -1.62 -3.24 116.25 115.32 1wer h VAL 896 Ca -0.00 -2.38 0.04 0.00 0.82 0.00 0.00 66.70 65.17 1wer h VAL 896 Cb 0.85 2.52 -0.06 0.00 -1.52 0.00 0.00 31.29 33.09 1wer h VAL 896 CO 0.06 0.73 0.63 -1.28 0.02 0.00 0.00 177.57 177.73 1wer h SER 897 N 0.32 1.04 0.32 0.57 0.87 -0.91 -1.65 113.55 114.11 1wer h SER 897 Ca -0.14 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1wer h SER 897 Cb 1.77 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1wer h SER 897 CO 0.21 0.71 0.00 1.23 -0.53 0.00 0.00 176.83 178.45 1wer h GLY 898 N 1.21 0.00 0.00 5.77 0.00 -1.36 -0.58 103.07 108.10 1wer h GLY 898 Ca 0.38 0.00 -0.46 0.00 0.00 0.00 0.00 47.33 47.25 1wer h GLY 898 CO -0.12 0.00 -2.52 0.69 0.00 0.00 0.00 176.54 174.59 1wer n PHE 899 N -2.89 0.03 0.20 5.60 3.72 -0.70 -3.15 117.46 120.27 1wer n PHE 899 Ca -0.01 0.01 0.10 0.00 -0.05 0.00 0.00 57.45 57.49 1wer n PHE 899 Cb 0.14 -1.00 0.23 0.00 -0.94 0.00 0.00 39.48 37.91 1wer n PHE 899 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 1wer h VAL 900 N -0.92 0.33 0.00 -4.37 3.04 -1.25 -2.21 116.25 110.86 1wer h VAL 900 Ca -0.69 -1.31 0.00 0.00 -1.01 0.00 0.00 66.70 63.69 1wer h VAL 900 Cb 1.64 2.03 0.00 0.00 -2.01 0.00 0.00 31.29 32.94 1wer h VAL 900 CO -0.40 0.17 -0.34 0.49 -1.01 0.00 0.00 177.57 176.49 1wer n PHE 901 N -3.18 0.00 0.06 3.17 3.72 -0.24 -1.44 117.46 119.55 1wer n PHE 901 Ca 0.02 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.51 1wer n PHE 901 Cb 0.55 -0.17 0.54 0.00 -0.94 0.00 0.00 39.48 39.46 1wer n PHE 901 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 1wer h LEU 902 N -0.34 0.24 -2.97 4.37 5.85 -1.64 -0.62 115.31 120.21 1wer h LEU 902 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wer h LEU 902 Cb 0.34 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1wer h LEU 902 CO 0.00 0.16 0.00 0.54 -0.34 0.00 0.00 178.44 178.80 1wer n ARG 903 N -4.48 2.90 0.00 1.25 1.74 -1.08 -4.49 116.66 112.50 1wer n ARG 903 Ca 0.04 -1.73 0.00 0.00 -0.77 0.00 0.00 57.85 55.38 1wer n ARG 903 Cb 0.21 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 1wer n ARG 903 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1wer n LEU 904 N -0.22 0.00 -0.11 0.55 7.94 -0.85 -4.87 117.00 119.44 1wer n LEU 904 Ca 0.05 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.84 1wer n LEU 904 Cb 0.33 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.25 1wer n LEU 904 CO 0.03 -0.34 0.79 0.40 -1.11 0.00 0.00 177.39 177.16 1wer h ILE 905 N 0.00 1.25 -0.30 1.96 2.04 -1.17 -2.53 117.51 118.76 1wer h ILE 905 Ca 0.00 -0.89 -0.16 0.00 1.00 0.00 0.00 64.86 64.81 1wer h ILE 905 Cb 0.00 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1wer h ILE 905 CO 0.00 0.29 -0.45 0.00 0.00 0.00 0.00 178.15 177.99 1wer h PRO 907 N 0.63 0.98 -0.25 0.00 0.11 -1.74 -1.69 132.00 130.04 1wer h PRO 907 Ca 0.04 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.97 1wer h PRO 907 Cb 1.02 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 1wer h PRO 907 CO 0.10 0.65 -0.33 0.00 -0.21 0.00 0.00 178.00 178.20 1wer h ALA 908 N 1.52 0.96 -0.44 -0.75 0.00 -0.99 0.82 119.26 120.39 1wer h ALA 908 Ca 0.32 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.69 1wer h ALA 908 Cb 0.03 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wer h ALA 908 CO -0.09 0.61 -0.30 0.82 0.00 0.00 0.00 179.25 180.29 1wer h ILE 909 N 0.45 1.27 -0.30 0.00 2.04 -1.02 -2.29 117.51 117.65 1wer h ILE 909 Ca 0.05 -1.47 -0.13 0.00 1.00 0.00 0.00 64.86 64.31 1wer h ILE 909 Cb 0.80 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1wer h ILE 909 CO 0.06 0.50 -0.36 -0.07 0.00 0.00 0.00 178.15 178.29 1wer h LEU 910 N 0.81 0.72 -6.64 1.44 3.38 -0.90 -3.37 115.31 110.75 1wer h LEU 910 Ca 0.09 -0.31 -0.59 0.00 0.09 0.00 0.00 57.88 57.16 1wer h LEU 910 Cb 0.88 -0.20 -0.39 0.00 0.09 0.00 0.00 40.66 41.04 1wer h LEU 910 CO 0.08 1.01 -0.84 0.21 0.09 0.00 0.00 178.44 178.99 1wer s ASN 911 N -6.83 2.80 0.00 -0.43 2.47 0.25 -4.96 114.94 108.24 1wer s ASN 911 Ca -0.09 -2.63 0.11 0.00 0.42 0.00 0.00 52.86 50.68 1wer s ASN 911 Cb 0.12 -0.63 0.49 0.00 -1.45 0.00 0.00 41.25 39.79 1wer s ASN 911 CO 0.84 -0.25 1.35 -2.65 -3.72 0.00 0.00 177.10 172.67 1wer n PRO 912 N 3.47 0.02 0.17 0.43 -0.02 -0.86 -2.48 135.00 135.73 1wer n PRO 912 Ca 0.17 0.29 0.02 0.00 -2.02 0.00 0.00 63.50 61.96 1wer n PRO 912 Cb 0.39 -1.50 0.35 0.00 -0.02 0.00 0.00 33.50 32.72 1wer n PRO 912 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wer h ARG 913 N 0.00 0.06 0.00 -0.52 3.08 -1.84 0.05 114.38 115.20 1wer h ARG 913 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1wer h ARG 913 Cb 0.18 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1wer h ARG 913 CO 0.00 0.40 0.00 0.52 -1.07 0.00 0.00 179.97 179.82 1wer h MET 914 N 0.05 0.00 -0.33 0.04 2.86 -1.83 0.89 114.93 116.61 1wer h MET 914 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1wer h MET 914 Cb 0.64 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1wer h MET 914 CO 0.05 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.21 1wer n PHE 915 N -2.54 0.88 -2.69 -0.22 3.72 -1.21 -4.97 117.46 110.44 1wer n PHE 915 Ca 0.03 -0.73 -0.19 0.00 -0.05 0.00 0.00 57.45 56.51 1wer n PHE 915 Cb 0.33 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 1wer n PHE 915 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1wer n ASN 916 N -0.00 -4.94 -0.03 4.37 3.02 0.31 -4.85 115.26 113.13 1wer n ASN 916 Ca 0.19 -0.05 -0.10 0.00 -0.03 0.00 0.00 54.58 54.59 1wer n ASN 916 Cb 0.76 -4.10 0.05 0.00 -0.61 0.00 0.00 39.78 35.88 1wer n ASN 916 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1wer h ILE 917 N -0.44 1.30 -3.24 2.41 2.04 -1.21 -3.46 117.51 114.90 1wer h ILE 917 Ca -0.42 -1.67 -0.44 0.00 1.00 0.00 0.00 64.86 63.32 1wer h ILE 917 Cb 1.30 1.61 -0.16 0.00 -0.74 0.00 0.00 36.82 38.83 1wer h ILE 917 CO 0.49 0.53 -0.75 -0.51 0.00 0.00 0.00 178.15 177.91 1wer s ILE 918 N -4.17 1.57 -0.06 -0.67 1.10 -1.18 -4.97 121.20 112.83 1wer s ILE 918 Ca -0.08 -1.98 0.04 0.00 -0.51 0.00 0.00 60.65 58.12 1wer s ILE 918 Cb 0.11 -1.82 -0.06 0.00 0.15 0.00 0.00 42.46 40.84 1wer s ILE 918 CO 0.85 -0.49 0.01 -0.24 -2.11 0.00 0.00 174.94 172.95 1wer n SER 919 N 0.08 3.62 -4.47 4.50 2.88 -1.26 -4.39 113.62 114.57 1wer n SER 919 Ca -0.12 -0.01 -0.28 0.00 -1.33 0.00 0.00 58.87 57.14 1wer n SER 919 Cb 0.59 0.52 -0.11 0.00 -0.75 0.00 0.00 64.21 64.45 1wer n SER 919 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1wer s ASP 920 N -3.83 3.74 0.30 -3.46 1.01 -1.26 -5.10 116.67 108.07 1wer s ASP 920 Ca -0.04 -0.68 -0.30 0.00 0.71 0.00 0.00 52.55 52.25 1wer s ASP 920 Cb 0.02 -0.44 -0.11 0.00 1.01 0.00 0.00 42.92 43.39 1wer s ASP 920 CO 0.22 0.15 1.61 -0.44 0.21 0.00 0.00 175.17 176.91 1wer s SER 921 N -2.40 6.35 0.61 0.27 0.01 -1.26 -4.93 113.70 112.35 1wer s SER 921 Ca 0.19 2.98 -0.20 0.00 1.31 0.00 0.00 55.95 60.23 1wer s SER 921 Cb -0.09 -2.64 -0.03 0.00 0.21 0.00 0.00 66.02 63.47 1wer s SER 921 CO 0.10 -0.93 1.33 -2.84 0.41 0.00 0.00 173.24 171.31 1wer s PRO 922 N -0.51 2.78 0.96 12.44 0.02 -1.26 -5.00 135.00 144.43 1wer s PRO 922 Ca 0.64 2.16 -0.11 0.00 0.02 0.00 0.00 61.00 63.71 1wer s PRO 922 Cb -0.48 -2.02 0.17 0.00 0.02 0.00 0.00 34.50 32.19 1wer s PRO 922 CO 0.48 -1.45 1.11 -1.54 -0.33 0.00 0.00 177.00 175.27 1wer s SER 923 N -1.18 2.61 0.24 2.53 1.04 -1.26 -4.66 113.70 113.01 1wer s SER 923 Ca 0.78 1.92 -0.05 0.00 0.48 0.00 0.00 55.95 59.09 1wer s SER 923 Cb -0.39 -2.46 0.38 0.00 0.10 0.00 0.00 66.02 63.65 1wer s SER 923 CO 0.44 -3.25 1.82 -0.65 0.98 0.00 0.00 173.24 172.57 1wer h PRO 924 N -1.97 0.79 -0.61 4.02 0.11 -1.99 0.12 132.00 132.46 1wer h PRO 924 Ca -0.48 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.48 1wer h PRO 924 Cb 1.28 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1wer h PRO 924 CO 0.46 0.52 0.01 0.82 -0.21 0.00 0.00 178.00 179.59 1wer h ILE 925 N 0.81 1.27 -0.61 4.15 2.04 -1.94 -1.82 117.51 121.41 1wer h ILE 925 Ca 0.39 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.02 1wer h ILE 925 Cb 0.33 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1wer h ILE 925 CO -0.23 0.42 0.05 0.00 0.00 0.00 0.00 178.15 178.38 1wer h ALA 926 N 0.99 0.93 -0.67 1.87 0.00 -1.73 -1.87 119.26 118.78 1wer h ALA 926 Ca 0.17 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1wer h ALA 926 Cb 0.55 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1wer h ALA 926 CO 0.03 0.65 0.26 0.00 0.00 0.00 0.00 179.25 180.19 1wer h ALA 927 N 1.09 0.87 -0.34 0.00 0.00 -0.45 -0.53 119.26 119.91 1wer h ALA 927 Ca 0.18 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1wer h ALA 927 Cb 0.49 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1wer h ALA 927 CO 0.02 0.49 -0.07 -0.09 0.00 0.00 0.00 179.25 179.61 1wer h ARG 928 N 0.95 0.64 -0.79 0.00 9.65 -1.19 -2.48 114.38 121.16 1wer h ARG 928 Ca 0.22 -0.24 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 1wer h ARG 928 Cb 0.21 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.72 1wer h ARG 928 CO -0.02 0.80 0.44 1.15 2.80 0.00 0.00 179.97 185.15 1wer h THR 929 N 0.43 1.23 -0.66 0.20 2.02 -1.01 -1.12 112.91 114.00 1wer h THR 929 Ca 0.09 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.73 1wer h THR 929 Cb 0.56 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 1wer h THR 929 CO 0.03 0.25 0.42 -0.07 0.37 0.00 0.00 175.52 176.52 1wer h LEU 930 N 1.09 0.71 -0.63 2.58 3.38 -0.96 0.13 115.31 121.60 1wer h LEU 930 Ca 0.28 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1wer h LEU 930 Cb 0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1wer h LEU 930 CO -0.05 0.50 0.30 0.40 0.09 0.00 0.00 178.44 179.68 1wer h ILE 931 N 0.84 1.22 -0.01 1.22 2.04 -0.95 -0.72 117.51 121.15 1wer h ILE 931 Ca 0.26 -0.62 -0.18 0.00 1.00 0.00 0.00 64.86 65.31 1wer h ILE 931 Cb -0.03 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1wer h ILE 931 CO -0.08 0.25 -0.81 -0.07 0.00 0.00 0.00 178.15 177.44 1wer h LEU 932 N 0.86 0.18 -0.15 1.44 3.38 -0.64 -1.33 115.31 119.05 1wer h LEU 932 Ca 0.21 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1wer h LEU 932 Cb 0.13 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1wer h LEU 932 CO -0.03 0.91 -0.08 0.58 0.09 0.00 0.00 178.44 179.91 1wer h VAL 933 N 0.08 1.32 -0.68 1.22 2.07 -0.65 -1.54 116.25 118.07 1wer h VAL 933 Ca -0.03 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1wer h VAL 933 Cb 1.41 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 1wer h VAL 933 CO 0.12 0.34 0.31 0.00 0.02 0.00 0.00 177.57 178.36 1wer h ALA 934 N 0.66 1.26 -0.32 1.67 0.00 -1.06 -0.25 119.26 121.21 1wer h ALA 934 Ca 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1wer h ALA 934 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wer h ALA 934 CO 0.02 0.56 0.11 -0.22 0.00 0.00 0.00 179.25 179.73 1wer h LYS 935 N 0.97 0.50 -0.57 0.00 3.64 -1.18 -0.65 116.57 119.28 1wer h LYS 935 Ca 0.24 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 1wer h LYS 935 Cb 0.13 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1wer h LYS 935 CO -0.03 0.52 0.16 0.77 -2.27 0.00 0.00 179.45 178.61 1wer h SER 936 N 0.37 0.85 -0.15 4.20 0.02 -0.89 -2.41 113.55 115.54 1wer h SER 936 Ca 0.11 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.71 1wer h SER 936 Cb 0.23 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1wer h SER 936 CO -0.01 0.84 -0.33 0.58 -1.14 0.00 0.00 176.83 176.77 1wer h VAL 937 N 0.81 1.28 -0.58 2.27 2.07 -0.92 -2.04 116.25 119.14 1wer h VAL 937 Ca 0.18 -1.47 -0.10 0.00 0.82 0.00 0.00 66.70 66.13 1wer h VAL 937 Cb 0.31 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1wer h VAL 937 CO -0.00 0.47 -0.03 -0.61 0.02 0.00 0.00 177.57 177.43 1wer h GLN 938 N 0.55 1.04 -0.40 1.57 5.75 -1.00 0.23 115.11 122.86 1wer h GLN 938 Ca 0.06 -0.35 -0.04 0.00 -0.15 0.00 0.00 58.65 58.17 1wer h GLN 938 Cb 0.84 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 1wer h GLN 938 CO 0.07 1.04 0.07 -0.91 -2.65 0.00 0.00 178.83 176.45 1wer h ASN 939 N 0.93 0.62 -0.88 -0.69 4.21 -1.28 -0.53 115.58 117.97 1wer h ASN 939 Ca 0.16 -0.25 0.03 0.00 1.21 0.00 0.00 56.30 57.45 1wer h ASN 939 Cb 0.59 -0.17 -0.05 0.00 -1.12 0.00 0.00 38.32 37.57 1wer h ASN 939 CO 0.03 0.72 0.57 0.25 -1.29 0.00 0.00 177.43 177.72 1wer h LEU 940 N 0.50 0.96 -1.63 1.61 5.85 -1.11 -0.25 115.31 121.24 1wer h LEU 940 Ca 0.12 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1wer h LEU 940 Cb 0.35 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1wer h LEU 940 CO 0.01 0.67 0.01 0.00 -0.34 0.00 0.00 178.44 178.79 1wer h ALA 941 N 1.36 1.70 -0.04 1.25 0.00 -0.02 0.26 119.26 123.77 1wer h ALA 941 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1wer h ALA 941 Cb -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wer h ALA 941 CO -0.11 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1wer n ASN 942 N -4.40 1.72 -3.72 0.00 3.02 -0.25 -4.90 115.26 106.72 1wer n ASN 942 Ca -0.00 -1.58 -0.24 0.00 -0.03 0.00 0.00 54.58 52.72 1wer n ASN 942 Cb 0.16 -0.01 0.04 0.00 -0.61 0.00 0.00 39.78 39.36 1wer n ASN 942 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1wer n LEU 943 N 0.34 -3.08 -3.88 3.41 4.77 0.08 -5.00 117.00 113.64 1wer n LEU 943 Ca 0.18 -0.75 -0.15 0.00 -0.03 0.00 0.00 56.01 55.26 1wer n LEU 943 Cb 0.38 -2.73 -0.15 0.00 -2.33 0.00 0.00 43.42 38.60 1wer n LEU 943 CO 0.16 0.45 -0.38 0.68 -1.33 0.00 0.00 177.39 176.97 1wer s VAL 944 N -3.49 0.20 0.55 4.08 -7.23 -0.65 -5.03 120.40 108.83 1wer s VAL 944 Ca 0.26 -0.05 -0.17 0.00 -1.81 0.00 0.00 61.98 60.21 1wer s VAL 944 Cb -0.13 -0.21 -0.06 0.00 0.56 0.00 0.00 36.38 36.55 1wer s VAL 944 CO 0.80 0.08 1.04 -1.61 -0.31 0.00 0.00 175.10 175.10 1wer s GLU 945 N 0.27 3.57 0.16 4.82 2.02 -1.26 -4.41 118.70 123.88 1wer s GLU 945 Ca -0.02 1.20 -0.31 0.00 0.02 0.00 0.00 54.97 55.86 1wer s GLU 945 Cb -0.05 -2.07 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 1wer s GLU 945 CO -0.01 -0.60 1.40 -0.06 0.02 0.00 0.00 175.26 176.01 1wer s PHE 946 N -2.35 3.19 0.25 1.61 0.08 -1.26 -5.03 117.98 114.47 1wer s PHE 946 Ca 0.64 0.99 0.00 0.00 0.12 0.00 0.00 56.93 58.68 1wer s PHE 946 Cb -0.15 -3.71 0.05 0.00 -0.57 0.00 0.00 43.02 38.64 1wer s PHE 946 CO 0.31 -2.42 0.34 0.41 -0.10 0.00 0.00 175.22 173.76 1wer n GLY 947 N 3.03 0.84 0.19 4.36 0.00 -1.26 -4.78 105.19 107.58 1wer n GLY 947 Ca 0.10 -2.00 0.14 0.00 0.00 0.00 0.00 46.02 44.26 1wer n GLY 947 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wer h ALA 948 N -0.42 1.00 0.00 4.61 0.00 -1.96 0.30 119.26 122.79 1wer h ALA 948 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1wer h ALA 948 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1wer h ALA 948 CO 0.12 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.73 1wer n LYS 949 N -2.49 0.15 -3.29 0.00 2.85 -1.26 -3.76 118.16 110.36 1wer n LYS 949 Ca 0.00 0.22 -0.27 0.00 -1.05 0.00 0.00 58.31 57.21 1wer n LYS 949 Cb 0.16 -1.71 -0.07 0.00 -0.65 0.00 0.00 35.03 32.77 1wer n LYS 949 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1wer n GLU 950 N -1.97 2.71 -0.28 -1.58 1.02 0.09 -4.98 120.64 115.65 1wer n GLU 950 Ca 0.05 -4.72 -0.04 0.00 -0.02 0.00 0.00 57.16 52.43 1wer n GLU 950 Cb 0.32 -2.25 0.07 0.00 -0.02 0.00 0.00 31.44 29.57 1wer n GLU 950 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1wer h PRO 951 N 3.85 1.01 0.00 3.49 0.11 -1.71 -1.76 132.00 136.98 1wer h PRO 951 Ca 0.18 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1wer h PRO 951 Cb 0.62 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1wer h PRO 951 CO 0.83 0.67 0.00 0.10 -0.21 0.00 0.00 178.00 179.39 1wer h TYR 952 N 1.04 0.00 -0.00 0.65 -0.00 -1.92 -3.06 116.97 113.69 1wer h TYR 952 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 59.02 1wer h TYR 952 Cb -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.62 1wer h TYR 952 CO -0.02 0.00 -0.03 -1.33 -0.00 0.00 0.00 178.16 176.78 1wer n MET 953 N -2.77 0.30 0.20 0.10 2.81 -0.66 -3.96 117.12 113.14 1wer n MET 953 Ca 0.04 -0.03 0.14 0.00 -1.81 0.00 0.00 57.70 56.05 1wer n MET 953 Cb 0.45 -1.50 0.75 0.00 -0.71 0.00 0.00 33.22 32.21 1wer n MET 953 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 1wer h GLU 954 N 0.06 0.00 0.00 0.03 3.07 -1.57 -1.44 114.58 114.73 1wer h GLU 954 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wer h GLU 954 Cb 0.37 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.28 1wer h GLU 954 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1wer n GLY 955 N -1.48 -1.12 0.03 -3.84 0.00 -1.25 -2.04 105.19 95.48 1wer n GLY 955 Ca 0.01 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.19 1wer n GLY 955 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wer n VAL 956 N -1.95 0.00 -0.29 1.61 0.31 -0.54 -4.41 118.33 113.06 1wer n VAL 956 Ca 0.02 -0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 1wer n VAL 956 Cb 0.19 0.34 0.07 0.00 -0.91 0.00 0.00 33.84 33.52 1wer n VAL 956 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 1wer h ASN 957 N 0.12 0.93 -0.76 4.52 -0.26 -1.54 -1.22 115.58 117.38 1wer h ASN 957 Ca 0.00 -0.05 0.11 0.00 -0.56 0.00 0.00 56.30 55.80 1wer h ASN 957 Cb 0.50 -0.23 -0.08 0.00 -1.06 0.00 0.00 38.32 37.45 1wer h ASN 957 CO 0.00 0.71 0.37 -0.65 -1.06 0.00 0.00 177.43 176.80 1wer h PRO 958 N 1.07 0.58 -0.08 0.81 0.11 -1.79 -0.02 132.00 132.69 1wer h PRO 958 Ca 0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1wer h PRO 958 Cb -0.06 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 30.91 1wer h PRO 958 CO -0.06 0.38 0.05 0.35 -0.21 0.00 0.00 178.00 178.52 1wer h PHE 959 N 0.60 0.10 -0.17 0.65 3.57 -1.53 -1.52 116.94 118.63 1wer h PHE 959 Ca 0.39 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.90 1wer h PHE 959 Cb 0.47 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1wer h PHE 959 CO -0.11 0.06 0.10 0.82 -2.23 0.00 0.00 178.31 176.95 1wer h ILE 960 N 0.11 1.02 -0.33 1.41 2.04 -1.08 -2.55 117.51 118.13 1wer h ILE 960 Ca 0.03 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1wer h ILE 960 Cb -0.01 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1wer h ILE 960 CO -0.01 0.04 0.17 0.11 0.00 0.00 0.00 178.15 178.46 1wer h LYS 961 N 0.21 0.34 0.00 2.37 1.57 -0.75 -1.63 116.57 118.68 1wer h LYS 961 Ca 0.07 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1wer h LYS 961 Cb -0.01 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1wer h LYS 961 CO -0.03 0.22 0.00 0.66 -0.57 0.00 0.00 179.45 179.73 1wer h SER 962 N 0.35 0.00 -0.05 0.86 4.64 -1.23 -3.08 113.55 115.03 1wer h SER 962 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1wer h SER 962 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1wer h SER 962 CO -0.09 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.46 1wer n ASN 963 N -2.47 2.07 -0.09 4.97 4.13 -0.75 -4.62 115.26 118.49 1wer n ASN 963 Ca 0.02 -1.54 -0.02 0.00 1.68 0.00 0.00 54.58 54.73 1wer n ASN 963 Cb 0.29 -0.02 0.23 0.00 -1.54 0.00 0.00 39.78 38.74 1wer n ASN 963 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1wer h LYS 964 N 2.30 0.74 -0.19 3.52 1.57 -1.23 -1.70 116.57 121.58 1wer h LYS 964 Ca 0.00 -0.14 -0.19 0.00 -1.87 0.00 0.00 60.65 58.45 1wer h LYS 964 Cb 0.51 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1wer h LYS 964 CO 0.00 0.67 -0.64 1.25 -0.57 0.00 0.00 179.45 180.16 1wer h HIS 965 N 0.72 0.91 -0.84 -1.35 2.76 -1.82 -1.60 115.15 113.93 1wer h HIS 965 Ca 0.16 -0.36 -0.02 0.00 -2.20 0.00 0.00 60.37 57.96 1wer h HIS 965 Cb 0.26 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.03 1wer h HIS 965 CO 0.01 1.15 0.45 0.00 -1.30 0.00 0.00 177.93 178.24 1wer h ARG 966 N 0.51 1.17 -0.44 5.26 3.08 -1.79 -0.80 114.38 121.38 1wer h ARG 966 Ca -0.01 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.86 1wer h ARG 966 Cb 1.23 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 31.04 1wer h ARG 966 CO 0.13 0.86 0.14 1.98 -1.07 0.00 0.00 179.97 182.01 1wer h MET 967 N 1.17 0.68 -0.62 0.04 4.05 -1.11 -1.33 114.93 117.81 1wer h MET 967 Ca 0.29 -0.15 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1wer h MET 967 Cb 0.04 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.72 1wer h MET 967 CO -0.05 0.66 0.24 0.82 0.23 0.00 0.00 176.91 178.82 1wer h ILE 968 N 0.56 1.23 -0.61 1.77 2.04 -0.99 -0.80 117.51 120.72 1wer h ILE 968 Ca 0.14 -0.74 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 1wer h ILE 968 Cb 0.26 0.55 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 1wer h ILE 968 CO -0.00 0.29 0.22 0.24 0.00 0.00 0.00 178.15 178.90 1wer h MET 969 N 0.87 0.93 -0.06 2.37 2.86 -0.95 0.07 114.93 121.02 1wer h MET 969 Ca 0.21 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1wer h MET 969 Cb 0.21 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1wer h MET 969 CO -0.02 0.80 0.04 0.35 1.06 0.00 0.00 176.91 179.14 1wer h PHE 970 N 0.86 0.08 -0.45 -0.22 3.57 -0.91 -2.13 116.94 117.75 1wer h PHE 970 Ca 0.20 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.58 1wer h PHE 970 Cb 0.24 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1wer h PHE 970 CO 0.01 0.11 -0.21 -0.07 -2.23 0.00 0.00 178.31 175.92 1wer h LEU 971 N 0.03 0.93 0.22 0.59 3.38 -0.94 -1.96 115.31 117.56 1wer h LEU 971 Ca 0.02 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 1wer h LEU 971 Cb 0.05 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1wer h LEU 971 CO -0.00 1.11 -0.10 -0.78 0.09 0.00 0.00 178.44 178.75 1wer h ASP 972 N 0.79 -0.25 1.17 -0.43 1.82 -0.88 -3.11 116.42 115.54 1wer h ASP 972 Ca 0.11 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.69 1wer h ASP 972 Cb 0.77 0.06 0.00 0.00 0.68 0.00 0.00 39.33 40.84 1wer h ASP 972 CO 0.06 -0.10 0.00 -0.62 -1.61 0.00 0.00 179.24 176.97 1wer n GLU 973 N -5.18 0.16 0.23 0.28 1.02 -0.81 -3.27 120.64 113.07 1wer n GLU 973 Ca -0.09 0.18 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 1wer n GLU 973 Cb 0.17 -1.70 0.70 0.00 -0.02 0.00 0.00 31.44 30.58 1wer n GLU 973 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1wer h LEU 974 N 0.00 0.00 -2.76 -4.62 5.85 -1.27 -1.90 115.31 110.60 1wer h LEU 974 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1wer h LEU 974 Cb 0.58 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.61 1wer h LEU 974 CO 0.00 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.71 1wer n GLY 975 N -1.51 2.37 1.86 3.75 0.00 -1.20 -4.60 105.19 105.85 1wer n GLY 975 Ca -0.01 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 1wer n GLY 975 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1wer n ASN 976 N 0.98 5.96 -4.05 1.61 4.05 -0.72 -3.35 115.26 119.75 1wer n ASN 976 Ca 0.23 -2.80 -0.33 0.00 0.45 0.00 0.00 54.58 52.13 1wer n ASN 976 Cb 0.79 -1.15 -0.14 0.00 1.23 0.00 0.00 39.78 40.52 1wer n ASN 976 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1wer s VAL 977 N -1.15 2.66 0.20 3.44 1.01 -1.26 -4.99 120.40 120.30 1wer s VAL 977 Ca 0.29 -2.38 0.00 0.00 0.00 0.00 0.00 61.98 59.89 1wer s VAL 977 Cb 0.19 -2.89 -0.08 0.00 0.00 0.00 0.00 36.38 33.60 1wer s VAL 977 CO -0.03 -0.66 1.48 -0.65 0.00 0.00 0.00 175.10 175.24 1wer h PRO 978 N 7.61 0.37 -6.30 2.72 0.11 -1.94 -3.38 132.00 131.18 1wer h PRO 978 Ca -0.07 -0.28 -0.64 0.00 0.11 0.00 0.00 66.00 65.12 1wer h PRO 978 Cb 1.01 0.05 -0.11 0.00 0.11 0.00 0.00 31.00 32.06 1wer h PRO 978 CO 0.60 0.91 -0.64 -1.21 -0.21 0.00 0.00 178.00 177.44 1wer s GLU 979 N -3.70 2.64 -0.15 1.05 8.01 -1.26 -5.07 118.70 120.22 1wer s GLU 979 Ca -0.05 -0.81 -0.29 0.00 0.01 0.00 0.00 54.97 53.82 1wer s GLU 979 Cb 0.11 -2.58 -0.04 0.00 -4.31 0.00 0.00 34.13 27.31 1wer s GLU 979 CO 0.83 0.54 1.66 -1.17 0.01 0.00 0.00 175.26 177.13 1wer s LEU 980 N -2.38 4.06 0.00 1.80 2.96 -1.26 -4.91 118.68 118.94 1wer s LEU 980 Ca 0.27 1.90 0.00 0.00 -0.22 0.00 0.00 54.13 56.08 1wer s LEU 980 Cb -0.12 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.04 1wer s LEU 980 CO 0.19 -1.15 0.36 -2.65 -1.32 0.00 0.00 176.35 171.79 1wer n PRO 981 N 7.48 0.00 0.00 0.98 -0.02 -1.26 -4.91 135.00 137.27 1wer n PRO 981 Ca 0.19 0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1wer n PRO 981 Cb 0.44 -0.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.99 1wer n PRO 981 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1wer n ASP 982 N -0.94 0.00 -4.61 2.55 2.03 -1.26 -4.93 116.55 109.39 1wer n ASP 982 Ca 0.00 0.00 -0.51 0.00 0.52 0.00 0.00 54.79 54.80 1wer n ASP 982 Cb 0.00 -0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 1wer n ASP 982 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1wer n THR 983 N -0.23 0.39 -1.37 5.18 -1.04 -1.26 -4.71 114.28 111.23 1wer n THR 983 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1wer n THR 983 Cb 0.00 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 66.78 1wer n THR 983 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1wer n THR 984 N 5.89 0.00 0.00 12.58 -2.24 -1.26 -5.11 114.28 124.15 1wer n THR 984 Ca 0.30 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 1wer n THR 984 Cb 0.25 0.87 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1wer n THR 984 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wer n GLU 985 N 0.00 0.00 -3.27 -0.78 -0.58 -1.26 -4.63 120.64 110.12 1wer n GLU 985 Ca 0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 57.16 56.69 1wer n GLU 985 Cb 0.40 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.22 1wer n GLU 985 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1wer s HIS 986 N 0.00 -1.16 -0.57 -0.32 5.04 -1.26 -5.08 115.29 111.94 1wer s HIS 986 Ca 0.00 0.83 0.03 0.00 -1.54 0.00 0.00 55.06 54.38 1wer s HIS 986 Cb 0.00 0.09 0.14 0.00 0.04 0.00 0.00 32.58 32.85 1wer s HIS 986 CO 0.00 -0.89 0.33 -1.12 -2.34 0.00 0.00 174.74 170.72 1wer s SER 987 N 2.64 4.54 -0.59 9.88 0.01 -1.26 -4.96 113.70 123.94 1wer s SER 987 Ca 0.13 -3.14 0.06 0.00 1.31 0.00 0.00 55.95 54.31 1wer s SER 987 Cb -0.14 -1.67 0.25 0.00 0.21 0.00 0.00 66.02 64.68 1wer s SER 987 CO -0.23 -0.22 0.72 0.54 0.41 0.00 0.00 173.24 174.45 1wer n ARG 988 N 2.97 2.25 -1.21 12.44 1.74 -1.26 -4.78 116.66 128.80 1wer n ARG 988 Ca 0.08 -4.43 -0.30 0.00 -0.77 0.00 0.00 57.85 52.42 1wer n ARG 988 Cb 0.33 -2.08 0.12 0.00 -1.02 0.00 0.00 32.46 29.81 1wer n ARG 988 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1wer s THR 989 N -2.35 2.99 0.17 0.55 2.01 -1.26 -4.98 115.64 112.77 1wer s THR 989 Ca 0.40 0.32 -0.32 0.00 0.31 0.00 0.00 61.69 62.40 1wer s THR 989 Cb 0.16 -2.78 -0.11 0.00 0.01 0.00 0.00 72.50 69.77 1wer s THR 989 CO -0.03 -0.42 1.76 -0.62 -0.69 0.00 0.00 174.62 174.61 1wer s ASP 990 N -3.37 6.41 0.00 3.53 2.15 -1.26 -4.90 116.67 119.22 1wer s ASP 990 Ca 0.62 2.81 0.14 0.00 0.43 0.00 0.00 52.55 56.56 1wer s ASP 990 Cb -0.18 -2.59 -0.12 0.00 -0.30 0.00 0.00 42.92 39.74 1wer s ASP 990 CO 0.57 -0.98 0.64 -0.11 -0.17 0.00 0.00 175.17 175.12 1wer n LEU 991 N 4.64 0.86 0.31 -1.34 7.94 -1.26 -4.58 117.00 123.57 1wer n LEU 991 Ca 0.16 -0.56 0.18 0.00 -1.11 0.00 0.00 56.01 54.68 1wer n LEU 991 Cb 0.36 0.00 1.02 0.00 0.53 0.00 0.00 43.42 45.34 1wer n LEU 991 CO 0.64 0.20 1.14 0.77 -1.11 0.00 0.00 177.39 179.03 1wer h SER 992 N 0.37 0.00 -0.17 1.96 4.64 -1.90 -1.15 113.55 117.30 1wer h SER 992 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wer h SER 992 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1wer h SER 992 CO 0.00 0.00 0.09 -0.09 -0.87 0.00 0.00 176.83 175.96 1wer h ARG 993 N 0.00 0.24 -0.01 4.77 9.65 -1.92 0.23 114.38 127.35 1wer h ARG 993 Ca -0.00 -0.03 -0.20 0.00 -1.10 0.00 0.00 59.98 58.65 1wer h ARG 993 Cb 0.02 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.54 1wer h ARG 993 CO 0.00 0.26 -0.86 -0.44 2.80 0.00 0.00 179.97 181.73 1wer h ASP 994 N 0.17 0.33 -0.50 -3.80 5.19 -1.58 -1.99 116.42 114.24 1wer h ASP 994 Ca 0.06 -0.26 -0.03 0.00 -0.62 0.00 0.00 57.03 56.18 1wer h ASP 994 Cb 0.09 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 39.47 1wer h ASP 994 CO -0.01 1.05 0.23 -0.07 -3.12 0.00 0.00 179.24 177.32 1wer h LEU 995 N 0.15 0.71 -0.69 1.55 3.38 -1.25 -1.39 115.31 117.76 1wer h LEU 995 Ca -0.05 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.72 1wer h LEU 995 Cb 1.48 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1wer h LEU 995 CO 0.14 0.63 -0.24 0.00 0.09 0.00 0.00 178.44 179.05 1wer h ALA 996 N 1.48 0.88 -0.56 1.53 0.00 -0.30 -1.02 119.26 121.26 1wer h ALA 996 Ca 0.19 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1wer h ALA 996 Cb 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1wer h ALA 996 CO -0.02 0.63 0.25 0.00 0.00 0.00 0.00 179.25 180.11 1wer h ALA 997 N 1.08 0.73 -0.30 0.00 0.00 -0.73 -1.26 119.26 118.78 1wer h ALA 997 Ca 0.09 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 1wer h ALA 997 Cb 0.75 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1wer h ALA 997 CO 0.06 0.31 -0.43 1.25 0.00 0.00 0.00 179.25 180.44 1wer h LEU 998 N 0.76 0.80 -1.02 0.00 5.85 -1.04 -2.93 115.31 117.74 1wer h LEU 998 Ca 0.19 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1wer h LEU 998 Cb 0.16 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1wer h LEU 998 CO -0.02 1.12 0.55 -0.74 -0.34 0.00 0.00 178.44 179.01 1wer h HIS 999 N 0.60 1.19 -0.80 1.25 2.76 -0.96 -1.63 115.15 117.56 1wer h HIS 999 Ca 0.04 0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.27 1wer h HIS 999 Cb 0.99 -0.39 -0.05 0.00 1.55 0.00 0.00 27.41 29.51 1wer h HIS 999 CO 0.05 0.78 0.52 0.93 -1.30 0.00 0.00 177.93 178.92 1wer h GLU 1000N 1.25 0.88 -0.22 5.26 5.08 -1.08 -0.49 114.58 125.26 1wer h GLU 1000Ca 0.33 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.57 1wer h GLU 1000Cb -0.06 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1wer h GLU 1000CO -0.06 0.58 -0.09 0.82 -1.00 0.00 0.00 179.01 179.26 1wer h ILE 1001N 0.90 1.30 -0.90 3.13 2.04 -1.15 0.13 117.51 122.96 1wer h ILE 1001Ca 0.34 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 65.09 1wer h ILE 1001Cb 0.17 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.79 1wer h ILE 1001CO -0.11 0.35 0.59 0.00 0.00 0.00 0.00 178.15 178.98 1wer h VAL 1003N 1.17 1.30 0.00 0.00 2.07 -0.94 0.14 116.25 119.99 1wer h VAL 1003Ca 0.34 -1.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1wer h VAL 1003Cb -0.06 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1wer h VAL 1003CO -0.09 0.46 -0.11 0.00 0.02 0.00 0.00 177.57 177.85 1wer h ALA 1004N 0.72 1.51 -0.06 1.67 0.00 -0.31 -2.51 119.26 120.29 1wer h ALA 1004Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wer h ALA 1004Cb 0.84 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wer h ALA 1004CO 0.07 0.13 -0.05 0.72 0.00 0.00 0.00 179.25 180.12 1wer n HIS 1005N -3.96 0.20 -0.33 0.00 8.25 -0.54 -4.74 115.22 114.11 1wer n HIS 1005Ca -0.02 -1.05 0.18 0.00 -0.26 0.00 0.00 57.72 56.57 1wer n HIS 1005Cb 0.20 -0.20 0.38 0.00 1.12 0.00 0.00 29.99 31.49 1wer n HIS 1005CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1wer h SER 1006N 0.44 0.45 -0.24 0.41 4.64 -0.25 -0.64 113.55 118.37 1wer h SER 1006Ca 0.01 0.17 -0.00 0.00 -0.47 0.00 0.00 61.79 61.49 1wer h SER 1006Cb 1.10 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 1wer h SER 1006CO 0.05 -0.03 0.14 -2.24 -0.87 0.00 0.00 176.83 173.88 1wer h ASP 1007N 0.41 0.29 -0.07 4.97 2.03 -1.85 -1.51 116.42 120.69 1wer h ASP 1007Ca 0.64 -0.06 -0.02 0.00 -0.73 0.00 0.00 57.03 56.86 1wer h ASP 1007Cb 1.31 -0.07 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1wer h ASP 1007CO -0.55 0.27 -0.03 -0.33 -1.03 0.00 0.00 179.24 177.56 1wer h GLU 1008N 0.29 0.15 -0.19 4.15 5.08 -1.69 -2.95 114.58 119.41 1wer h GLU 1008Ca 0.08 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1wer h GLU 1008Cb 0.04 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1wer h GLU 1008CO -0.02 0.52 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.42 1wer h LEU 1009N -0.23 0.25 -0.74 1.33 3.38 -1.13 -0.15 115.31 118.02 1wer h LEU 1009Ca 0.02 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 1wer h LEU 1009Cb 0.47 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1wer h LEU 1009CO 0.01 0.32 -0.29 -0.09 0.09 0.00 0.00 178.44 178.49 1wer h ARG 1010N 0.27 0.64 -0.27 1.13 2.43 -1.32 0.85 114.38 118.11 1wer h ARG 1010Ca 0.06 -0.27 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 1wer h ARG 1010Cb 0.22 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1wer h ARG 1010CO 0.01 0.86 0.10 1.15 -1.51 0.00 0.00 179.97 180.57 1wer h THR 1011N 0.55 1.18 -0.15 0.20 2.02 -1.07 -2.79 112.91 112.85 1wer h THR 1011Ca 0.07 -0.57 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1wer h THR 1011Cb 0.77 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 1wer h THR 1011CO 0.06 0.19 -0.11 -0.07 0.37 0.00 0.00 175.52 175.96 1wer h LEU 1012N 0.28 0.22 -1.18 2.58 3.38 -0.82 -2.34 115.31 117.43 1wer h LEU 1012Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1wer h LEU 1012Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1wer h LEU 1012CO -0.01 0.36 0.00 0.77 0.09 0.00 0.00 178.44 179.65 1wer h SER 1013N 0.22 0.00 -0.04 -0.43 4.64 -0.57 -2.94 113.55 114.43 1wer h SER 1013Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1wer h SER 1013Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1wer h SER 1013CO 0.02 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.57 1wer n ASN 1014N -2.90 0.39 -4.70 4.97 5.03 -0.88 -4.76 115.26 112.41 1wer n ASN 1014Ca 0.01 -1.54 -0.37 0.00 0.87 0.00 0.00 54.58 53.55 1wer n ASN 1014Cb 0.31 -0.03 -0.07 0.00 -1.02 0.00 0.00 39.78 38.97 1wer n ASN 1014CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1wer s GLU 1015N -1.95 4.23 0.84 3.52 -6.30 -1.11 -5.07 118.70 112.87 1wer s GLU 1015Ca 0.26 0.17 -0.10 0.00 -2.50 0.00 0.00 54.97 52.80 1wer s GLU 1015Cb 0.13 -3.47 0.10 0.00 0.00 0.00 0.00 34.13 30.89 1wer s GLU 1015CO 0.21 0.12 1.12 -0.98 0.02 0.00 0.00 175.26 175.74 1wer s ARG 1016N 0.82 1.64 0.00 4.30 1.04 -1.26 -4.41 118.95 121.08 1wer s ARG 1016Ca 0.18 1.35 0.00 0.00 -1.04 0.00 0.00 55.73 56.22 1wer s ARG 1016Cb -0.14 -1.81 0.00 0.00 -2.04 0.00 0.00 34.95 30.96 1wer s ARG 1016CO 0.06 -2.13 0.00 0.41 -0.04 0.00 0.00 175.30 173.60 1wer n GLY 1017N -0.52 1.31 0.23 3.88 0.00 -1.26 -4.84 105.19 103.98 1wer n GLY 1017Ca 0.10 -2.09 0.09 0.00 0.00 0.00 0.00 46.02 44.12 1wer n GLY 1017CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wer h ALA 1018N 0.00 1.22 0.00 4.61 0.00 -2.05 -2.10 119.26 120.94 1wer h ALA 1018Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1wer h ALA 1018Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wer h ALA 1018CO 0.00 0.27 0.00 -0.56 0.00 0.00 0.00 179.25 178.96 1wer h GLN 1019N 0.00 0.00 -0.71 0.00 -0.00 -1.91 -3.36 115.11 109.13 1wer h GLN 1019Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.60 1wer h GLN 1019Cb 0.54 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 27.99 1wer h GLN 1019CO 0.03 0.00 0.25 0.37 -0.00 0.00 0.00 178.83 179.48 1wer h GLN 1020N 0.00 1.09 -0.04 0.06 4.15 -1.58 -1.99 115.11 116.81 1wer h GLN 1020Ca 0.00 -0.22 0.04 0.00 0.77 0.00 0.00 58.65 59.24 1wer h GLN 1020Cb 0.73 -0.17 -0.05 0.00 0.21 0.00 0.00 27.48 28.21 1wer h GLN 1020CO 0.00 0.92 -0.26 1.25 -1.93 0.00 0.00 178.83 178.81 1wer h HIS 1021N 1.04 -0.69 -0.63 3.99 2.76 -1.76 -2.26 115.15 117.60 1wer h HIS 1021Ca 0.23 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.36 1wer h HIS 1021Cb 0.26 0.31 -0.03 0.00 1.55 0.00 0.00 27.41 29.51 1wer h HIS 1021CO 0.02 -0.35 0.10 0.28 -1.30 0.00 0.00 177.93 176.69 1wer h VAL 1022N -0.38 1.26 -0.16 5.26 2.07 -1.71 -2.39 116.25 120.20 1wer h VAL 1022Ca 0.07 -1.00 -0.20 0.00 0.82 0.00 0.00 66.70 66.39 1wer h VAL 1022Cb 0.48 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1wer h VAL 1022CO -0.25 0.37 -0.69 -0.07 0.02 0.00 0.00 177.57 176.95 1wer h LEU 1023N 0.97 0.76 -0.76 2.57 3.38 -1.11 0.40 115.31 121.52 1wer h LEU 1023Ca 0.20 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.63 1wer h LEU 1023Cb 0.42 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1wer h LEU 1023CO 0.01 1.23 0.19 0.11 0.09 0.00 0.00 178.44 180.07 1wer h LYS 1024N 0.46 1.12 -0.68 1.13 1.57 -1.37 -1.88 116.57 116.93 1wer h LYS 1024Ca -0.03 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.46 1wer h LYS 1024Cb 1.28 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.41 1wer h LYS 1024CO 0.13 0.98 0.29 -0.22 -0.57 0.00 0.00 179.45 180.07 1wer h LYS 1025N 1.07 0.99 -0.24 3.15 3.64 -1.03 -1.81 116.57 122.34 1wer h LYS 1025Ca 0.23 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1wer h LYS 1025Cb 0.35 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 1wer h LYS 1025CO -0.00 0.79 0.01 1.25 -2.27 0.00 0.00 179.45 179.23 1wer h LEU 1026N 0.97 0.40 -0.65 5.20 5.85 0.14 -1.37 115.31 125.85 1wer h LEU 1026Ca 0.23 -0.29 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 1wer h LEU 1026Cb 0.15 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1wer h LEU 1026CO -0.02 0.59 0.19 -0.07 -0.34 0.00 0.00 178.44 178.78 1wer h LEU 1027N 0.19 0.96 0.20 2.25 3.38 -1.13 0.37 115.31 121.53 1wer h LEU 1027Ca 0.07 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1wer h LEU 1027Cb 0.38 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1wer h LEU 1027CO 0.01 0.92 -0.53 0.00 0.09 0.00 0.00 178.44 178.93 1wer h ALA 1028N 1.07 -1.03 -0.92 1.53 0.00 -1.26 -1.49 119.26 117.16 1wer h ALA 1028Ca 0.21 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.09 1wer h ALA 1028Cb 0.32 0.87 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1wer h ALA 1028CO -0.00 -1.15 0.59 0.82 0.00 0.00 0.00 179.25 179.51 1wer h ILE 1029N -0.81 0.97 -0.46 0.00 2.04 -0.90 -1.01 117.51 117.34 1wer h ILE 1029Ca -0.02 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.47 1wer h ILE 1029Cb 0.79 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 1wer h ILE 1029CO -0.24 0.17 0.05 0.74 0.00 0.00 0.00 178.15 178.86 1wer h THR 1030N 0.93 1.22 -0.07 -0.27 2.02 -0.59 -1.15 112.91 114.99 1wer h THR 1030Ca 0.43 -0.86 -0.21 0.00 0.77 0.00 0.00 66.41 66.54 1wer h THR 1030Cb 0.40 0.82 0.01 0.00 -1.74 0.00 0.00 68.15 67.64 1wer h THR 1030CO -0.19 0.31 -0.77 -0.33 0.37 0.00 0.00 175.52 174.91 1wer h GLU 1031N 0.69 0.65 -0.56 6.66 4.39 -0.16 -2.57 114.58 123.68 1wer h GLU 1031Ca 0.15 -0.60 -0.04 0.00 0.34 0.00 0.00 59.36 59.20 1wer h GLU 1031Cb 0.35 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1wer h GLU 1031CO 0.01 1.21 0.21 1.25 -1.16 0.00 0.00 179.01 180.53 1wer h LEU 1032N 0.31 0.78 -1.35 1.33 5.85 -0.97 0.56 115.31 121.82 1wer h LEU 1032Ca -0.08 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.40 1wer h LEU 1032Cb 1.43 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1wer h LEU 1032CO 0.16 0.75 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.64 1wer h LEU 1033N 0.76 0.00 -0.44 2.25 3.38 -1.29 0.32 115.31 120.30 1wer h LEU 1033Ca 0.18 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1wer h LEU 1033Cb 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wer h LEU 1033CO -0.01 0.30 -0.14 1.56 0.09 0.00 0.00 178.44 180.24 1wer h GLN 1034N 0.00 0.00 0.11 1.13 1.08 -0.94 -2.44 115.11 114.05 1wer h GLN 1034Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1wer h GLN 1034Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1wer h GLN 1034CO 0.04 0.14 -0.05 1.96 -0.95 0.00 0.00 178.83 179.96 1wer h GLN 1035N 0.00 -0.14 -0.07 1.46 4.20 0.26 -3.24 115.11 117.58 1wer h GLN 1035Ca -0.00 0.01 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1wer h GLN 1035Cb 0.95 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 1wer h GLN 1035CO 0.02 0.35 0.10 0.87 -0.67 0.00 0.00 178.83 179.49 1wer h LYS 1036N -0.89 0.00 0.15 1.46 1.57 -1.02 -2.50 116.57 115.34 1wer h LYS 1036Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1wer h LYS 1036Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1wer h LYS 1036CO 0.02 0.00 -0.07 0.37 -0.57 0.00 0.00 179.45 179.20 1wer h GLN 1037N 0.00 -0.19 -0.71 3.15 5.75 -1.50 -3.34 115.11 118.28 1wer h GLN 1037Ca 0.03 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1wer h GLN 1037Cb 0.23 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.82 1wer h GLN 1037CO -0.00 -0.13 0.00 -1.71 -2.65 0.00 0.00 178.83 174.34 1wer n ASN 1038N -3.10 3.84 -4.76 -0.69 2.85 -1.15 -4.95 115.26 107.30 1wer n ASN 1038Ca -0.02 -2.52 -0.38 0.00 -0.11 0.00 0.00 54.58 51.54 1wer n ASN 1038Cb 0.08 -0.58 0.03 0.00 1.24 0.00 0.00 39.78 40.54 1wer n ASN 1038CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1wer s GLN 1039N -2.03 3.33 0.18 1.20 -0.21 -0.95 -4.96 119.66 116.23 1wer s GLN 1039Ca 0.34 2.18 -0.32 0.00 0.02 0.00 0.00 55.36 57.58 1wer s GLN 1039Cb 0.25 -2.35 -0.12 0.00 1.00 0.00 0.00 33.01 31.79 1wer s GLN 1039CO 0.11 -1.02 1.74 0.98 -2.12 0.00 0.00 175.29 174.98 1wer n TYR 1040N -0.80 2.67 -0.88 0.91 9.36 -1.26 -5.09 117.16 122.07 1wer n TYR 1040Ca 0.09 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.33 1wer n TYR 1040Cb 0.45 -2.67 0.00 0.00 -0.63 0.00 0.00 39.34 36.49 1wer n TYR 1040CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33