#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx n GLY 697 N 0.00 -0.50 0.57 -5.12 0.00 -1.26 -5.13 105.19 93.75 2ayx n GLY 697 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.36 2ayx n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayx n GLY 698 N 0.00 -1.11 3.53 -0.02 0.00 -1.26 -4.99 105.19 101.34 2ayx n GLY 698 Ca 0.00 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 2ayx n GLY 698 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ayx s SER 699 N 0.00 6.28 -0.29 1.61 0.01 -1.26 -5.00 113.70 115.05 2ayx s SER 699 Ca 0.00 -0.43 -0.21 0.00 1.31 0.00 0.00 55.95 56.62 2ayx s SER 699 Cb 0.00 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.73 2ayx s SER 699 CO 0.00 -1.49 0.67 -0.83 0.41 0.00 0.00 173.24 172.00 2ayx s GLY 700 N 3.29 1.77 0.11 3.44 0.00 -1.26 -5.05 107.32 109.62 2ayx s GLY 700 Ca 0.32 -0.53 0.04 0.00 0.00 0.00 0.00 44.72 44.55 2ayx s GLY 700 CO 0.17 1.53 -0.10 -1.34 0.00 0.00 0.00 173.10 173.36 2ayx s VAL 701 N 2.66 0.97 0.12 1.40 -7.23 -1.26 -4.85 120.40 112.20 2ayx s VAL 701 Ca 0.27 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2ayx s VAL 701 Cb -0.15 -1.52 0.00 0.00 0.56 0.00 0.00 36.38 35.27 2ayx s VAL 701 CO 0.11 -0.64 0.00 1.21 -0.31 0.00 0.00 175.10 175.46 2ayx n GLU 702 N 0.29 -0.70 0.00 4.82 4.07 -1.26 -4.88 120.64 122.99 2ayx n GLU 702 Ca -0.14 0.56 0.00 0.00 -0.06 0.00 0.00 57.16 57.52 2ayx n GLU 702 Cb 0.59 -0.77 0.00 0.00 -0.06 0.00 0.00 31.44 31.20 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ayx n GLY 703 N -2.24 2.09 5.13 8.31 0.00 -1.26 -4.36 105.19 112.86 2ayx n GLY 703 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2ayx n GLY 703 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ayx n LEU 704 N 0.00 0.00 -1.43 0.99 4.77 -1.26 -3.56 117.00 116.51 2ayx n LEU 704 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2ayx n LEU 704 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2ayx n LEU 704 CO 0.00 0.00 -0.24 -1.20 -1.33 0.00 0.00 177.39 174.62 2ayx n SER 705 N 1.61 -5.57 0.00 -1.43 7.64 -1.07 -1.31 113.62 113.50 2ayx n SER 705 Ca 0.00 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.66 2ayx n SER 705 Cb 0.00 -3.04 0.00 0.00 -1.01 0.00 0.00 64.21 60.16 2ayx n SER 705 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 706 N 0.93 1.17 3.78 0.23 0.00 -1.20 -4.70 105.19 105.39 2ayx n GLY 706 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2ayx n GLY 706 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ayx s LYS 707 N -0.71 4.61 0.02 1.61 2.36 -1.26 -4.90 119.74 121.47 2ayx s LYS 707 Ca 0.00 1.26 -0.10 0.00 -2.55 0.00 0.00 55.97 54.58 2ayx s LYS 707 Cb 0.00 -3.05 -0.05 0.00 -1.05 0.00 0.00 37.83 33.67 2ayx s LYS 707 CO 0.00 0.43 0.35 1.03 1.55 0.00 0.00 175.35 178.71 2ayx s ARG 708 N -1.59 3.74 -0.20 4.03 0.52 -1.26 -1.02 118.95 123.17 2ayx s ARG 708 Ca 0.43 0.16 -0.00 0.00 -0.52 0.00 0.00 55.73 55.80 2ayx s ARG 708 Cb -0.21 -3.09 0.02 0.00 0.52 0.00 0.00 34.95 32.18 2ayx s ARG 708 CO 0.26 0.64 -0.15 0.00 0.02 0.00 0.00 175.30 176.07 2ayx s TRP 710 N 1.32 3.18 -0.10 0.00 0.52 -0.97 -0.71 118.94 122.19 2ayx s TRP 710 Ca 0.04 0.38 0.04 0.00 0.02 0.00 0.00 56.10 56.57 2ayx s TRP 710 Cb -0.14 -3.02 -0.00 0.00 -1.15 0.00 0.00 33.47 29.16 2ayx s TRP 710 CO -0.10 -0.55 -0.23 -0.48 0.02 0.00 0.00 176.95 175.61 2ayx s LEU 711 N 2.58 2.12 -0.48 2.99 2.34 -0.97 -0.72 118.68 126.54 2ayx s LEU 711 Ca 0.23 -0.55 0.08 0.00 0.06 0.00 0.00 54.13 53.94 2ayx s LEU 711 Cb -0.15 -1.42 0.37 0.00 -0.56 0.00 0.00 46.19 44.43 2ayx s LEU 711 CO 0.13 0.16 0.94 0.00 -1.06 0.00 0.00 176.35 176.51 2ayx n ALA 712 N 3.55 4.05 -3.13 1.48 0.00 0.43 -1.62 120.51 125.28 2ayx n ALA 712 Ca -0.19 -4.18 -0.37 0.00 0.00 0.00 0.00 53.44 48.70 2ayx n ALA 712 Cb 0.53 -0.75 -0.13 0.00 0.00 0.00 0.00 19.45 19.10 2ayx n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayx s VAL 713 N -4.12 4.14 -2.01 0.00 1.01 -1.25 -2.46 120.40 115.72 2ayx s VAL 713 Ca 0.45 -0.36 0.27 0.00 0.00 0.00 0.00 61.98 62.33 2ayx s VAL 713 Cb 0.34 -3.00 0.39 0.00 0.00 0.00 0.00 36.38 34.12 2ayx s VAL 713 CO -0.12 0.26 1.67 0.54 0.00 0.00 0.00 175.10 177.45 2ayx n ARG 714 N 4.90 1.11 -2.83 2.72 1.74 -1.26 -4.69 116.66 118.35 2ayx n ARG 714 Ca -0.16 -0.62 -0.43 0.00 -0.77 0.00 0.00 57.85 55.87 2ayx n ARG 714 Cb 0.50 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.42 2ayx n ARG 714 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2ayx s ASN 715 N -2.32 6.26 0.19 0.55 0.01 -1.26 -4.93 114.94 113.43 2ayx s ASN 715 Ca 0.30 -0.62 -0.12 0.00 -0.71 0.00 0.00 52.86 51.70 2ayx s ASN 715 Cb 0.20 -2.43 0.19 0.00 0.41 0.00 0.00 41.25 39.61 2ayx s ASN 715 CO 0.45 -1.35 1.74 0.00 -1.51 0.00 0.00 177.10 176.43 2ayx h ALA 716 N 9.45 0.61 -0.70 0.60 0.00 -1.99 0.38 119.26 127.62 2ayx h ALA 716 Ca -0.27 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 2ayx h ALA 716 Cb 1.07 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2ayx h ALA 716 CO 1.14 -0.24 0.19 0.66 0.00 0.00 0.00 179.25 180.99 2ayx h SER 717 N 0.32 1.03 0.00 0.00 4.64 -1.98 -0.04 113.55 117.53 2ayx h SER 717 Ca 0.25 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2ayx h SER 717 Cb 0.29 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2ayx h SER 717 CO -0.27 0.98 -0.00 0.25 -0.87 0.00 0.00 176.83 176.91 2ayx h LEU 718 N 1.05 -0.00 -0.56 5.97 6.46 -1.51 -2.62 115.31 124.10 2ayx h LEU 718 Ca 0.22 -0.47 -0.12 0.00 -0.12 0.00 0.00 57.88 57.39 2ayx h LEU 718 Cb 0.33 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 2ayx h LEU 718 CO -0.00 0.47 -0.16 0.00 -0.62 0.00 0.00 178.44 178.13 2ayx h GLN 720 N 0.86 0.78 -0.07 0.00 5.75 -1.05 0.35 115.11 121.73 2ayx h GLN 720 Ca 0.12 -0.05 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2ayx h GLN 720 Cb 0.73 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 2ayx h GLN 720 CO 0.06 0.52 0.02 0.35 -2.65 0.00 0.00 178.83 177.12 2ayx h PHE 721 N 0.81 0.03 -0.30 3.99 3.04 -1.23 -0.58 116.94 122.70 2ayx h PHE 721 Ca 0.23 0.00 -0.04 0.00 3.98 0.00 0.00 57.97 62.14 2ayx h PHE 721 Cb -0.06 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 2ayx h PHE 721 CO -0.04 0.02 0.02 -0.07 -2.02 0.00 0.00 178.31 176.22 2ayx h LEU 722 N 0.05 0.50 -0.18 0.59 3.38 -1.35 -2.62 115.31 115.69 2ayx h LEU 722 Ca 0.03 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2ayx h LEU 722 Cb 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2ayx h LEU 722 CO -0.04 0.67 0.03 -0.08 0.09 0.00 0.00 178.44 179.11 2ayx h GLU 723 N 0.32 0.10 -0.38 1.13 4.81 -0.70 -0.86 114.58 118.99 2ayx h GLU 723 Ca 0.09 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 2ayx h GLU 723 Cb 0.40 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2ayx h GLU 723 CO 0.01 0.06 -0.18 1.15 -0.73 0.00 0.00 179.01 179.32 2ayx h THR 724 N 0.10 1.26 -0.23 0.32 2.02 -1.11 -0.41 112.91 114.86 2ayx h THR 724 Ca 0.08 -1.25 -0.14 0.00 0.77 0.00 0.00 66.41 65.87 2ayx h THR 724 Cb 0.08 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2ayx h THR 724 CO -0.12 0.42 -0.44 0.28 0.37 0.00 0.00 175.52 176.03 2ayx h SER 725 N 0.63 0.60 -0.01 4.18 0.02 -1.18 -1.17 113.55 116.63 2ayx h SER 725 Ca 0.10 -0.28 -0.16 0.00 -0.84 0.00 0.00 61.79 60.61 2ayx h SER 725 Cb 0.66 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 63.04 2ayx h SER 725 CO 0.05 0.96 -0.60 -0.07 -1.14 0.00 0.00 176.83 176.03 2ayx h LEU 726 N 0.46 0.54 -1.37 5.07 3.38 -0.76 -2.71 115.31 119.92 2ayx h LEU 726 Ca 0.03 -0.75 -0.05 0.00 0.09 0.00 0.00 57.88 57.19 2ayx h LEU 726 Cb 0.95 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2ayx h LEU 726 CO 0.08 1.22 -0.25 0.06 0.09 0.00 0.00 178.44 179.64 2ayx h GLN 727 N -0.09 0.00 -0.23 1.13 3.07 -1.00 0.79 115.11 118.79 2ayx h GLN 727 Ca -0.07 0.00 -0.07 0.00 0.09 0.00 0.00 58.65 58.60 2ayx h GLN 727 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.86 2ayx h GLN 727 CO 0.12 0.25 -0.17 -0.09 0.09 0.00 0.00 178.83 179.04 2ayx h ARG 728 N 0.00 0.39 0.00 0.06 9.65 -1.15 -3.32 114.38 120.02 2ayx h ARG 728 Ca -0.00 -0.12 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 2ayx h ARG 728 Cb 0.63 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.16 2ayx h ARG 728 CO 0.03 0.56 -0.41 0.77 2.80 0.00 0.00 179.97 183.72 2ayx h SER 729 N 0.36 0.00 0.00 -3.80 0.02 -1.02 -3.49 113.55 105.62 2ayx h SER 729 Ca 0.07 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2ayx h SER 729 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2ayx h SER 729 CO 0.03 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.18 2ayx n GLY 730 N 1.63 0.00 3.38 -3.77 0.00 -0.05 -4.30 105.19 102.08 2ayx n GLY 730 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.59 2ayx n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 731 N 0.00 3.12 -0.36 -0.61 -1.09 0.07 -2.60 121.20 119.73 2ayx s ILE 731 Ca 0.00 -0.64 -0.25 0.00 -2.23 0.00 0.00 60.65 57.54 2ayx s ILE 731 Cb 0.00 -2.32 0.01 0.00 -1.58 0.00 0.00 42.46 38.57 2ayx s ILE 731 CO 0.00 0.52 0.85 0.68 -1.23 0.00 0.00 174.94 175.76 2ayx s VAL 732 N 0.38 4.67 -0.33 2.92 -7.23 -0.19 -3.03 120.40 117.59 2ayx s VAL 732 Ca -0.10 1.09 -0.29 0.00 -1.81 0.00 0.00 61.98 60.87 2ayx s VAL 732 Cb -0.16 -4.26 0.01 0.00 0.56 0.00 0.00 36.38 32.53 2ayx s VAL 732 CO 0.05 -0.45 1.18 -0.69 -0.31 0.00 0.00 175.10 174.88 2ayx s VAL 733 N 3.26 4.32 -0.12 1.32 1.01 -1.26 -0.91 120.40 128.01 2ayx s VAL 733 Ca 0.35 1.49 0.03 0.00 0.00 0.00 0.00 61.98 63.85 2ayx s VAL 733 Cb -0.13 -4.32 0.01 0.00 0.00 0.00 0.00 36.38 31.94 2ayx s VAL 733 CO 0.17 -0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 173.65 2ayx s THR 734 N 4.04 1.85 0.15 3.92 2.01 0.12 -4.94 115.64 122.79 2ayx s THR 734 Ca 0.50 -0.87 -0.32 0.00 0.31 0.00 0.00 61.69 61.31 2ayx s THR 734 Cb -0.14 -1.65 -0.12 0.00 0.01 0.00 0.00 72.50 70.61 2ayx s THR 734 CO 0.20 0.51 1.74 0.41 -0.69 0.00 0.00 174.62 176.79 2ayx n THR 735 N 3.98 0.16 -2.24 -0.82 -1.04 -1.26 -2.29 114.28 110.77 2ayx n THR 735 Ca -0.20 -0.03 -0.33 0.00 -2.04 0.00 0.00 64.05 61.46 2ayx n THR 735 Cb 0.52 -1.92 -0.04 0.00 -1.82 0.00 0.00 70.33 67.07 2ayx n THR 735 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ayx s TYR 736 N 1.79 2.06 0.00 -1.42 5.04 -0.64 -4.81 117.35 119.38 2ayx s TYR 736 Ca 0.79 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.53 2ayx s TYR 736 Cb -0.55 -4.29 0.00 0.00 0.35 0.00 0.00 41.96 37.47 2ayx s TYR 736 CO 0.36 -1.85 0.26 0.39 -1.34 0.00 0.00 175.55 173.38 2ayx n GLU 737 N 8.90 0.00 -2.70 4.97 1.02 -1.26 -4.87 120.64 126.70 2ayx n GLU 737 Ca 0.36 0.31 -0.06 0.00 -0.02 0.00 0.00 57.16 57.75 2ayx n GLU 737 Cb 0.49 -0.97 0.09 0.00 -0.02 0.00 0.00 31.44 31.02 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayx n GLY 738 N 1.22 -0.63 3.85 0.62 0.00 -1.26 -5.16 105.19 103.83 2ayx n GLY 738 Ca 0.00 0.50 -0.26 0.00 0.00 0.00 0.00 46.02 46.26 2ayx n GLY 738 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ayx s GLN 739 N 0.24 3.09 0.08 1.61 1.11 -1.26 -5.07 119.66 119.46 2ayx s GLN 739 Ca 0.24 -0.78 -0.31 0.00 0.01 0.00 0.00 55.36 54.52 2ayx s GLN 739 Cb 0.27 -2.75 -0.07 0.00 -1.01 0.00 0.00 33.01 29.45 2ayx s GLN 739 CO -0.14 0.49 1.31 -1.83 0.01 0.00 0.00 175.29 175.13 2ayx s GLU 740 N -3.19 4.37 0.03 2.91 1.03 -1.26 -4.93 118.70 117.66 2ayx s GLU 740 Ca 0.32 1.93 -0.32 0.00 0.03 0.00 0.00 54.97 56.93 2ayx s GLU 740 Cb -0.10 -3.32 -0.11 0.00 -0.80 0.00 0.00 34.13 29.80 2ayx s GLU 740 CO 0.25 -0.37 1.86 -0.35 -1.33 0.00 0.00 175.26 175.32 2ayx n PRO 741 N 4.06 2.53 -3.40 -4.83 -0.04 -1.26 -4.97 135.00 127.08 2ayx n PRO 741 Ca 0.10 0.92 -0.37 0.00 -0.04 0.00 0.00 63.50 64.11 2ayx n PRO 741 Cb 0.44 -2.80 -0.07 0.00 -0.04 0.00 0.00 33.50 31.03 2ayx n PRO 741 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2ayx s THR 742 N 3.39 5.23 -1.43 0.52 2.01 -1.26 -4.70 115.64 119.40 2ayx s THR 742 Ca 0.87 0.77 0.11 0.00 0.31 0.00 0.00 61.69 63.75 2ayx s THR 742 Cb -0.57 -3.74 0.19 0.00 0.01 0.00 0.00 72.50 68.40 2ayx s THR 742 CO 0.43 0.33 1.25 -0.81 -0.69 0.00 0.00 174.62 175.13 2ayx n PRO 743 N 3.78 0.15 -0.07 4.92 -0.04 -1.26 -0.64 135.00 141.85 2ayx n PRO 743 Ca -0.09 0.18 0.04 0.00 -0.04 0.00 0.00 63.50 63.60 2ayx n PRO 743 Cb 0.52 -1.50 0.08 0.00 -0.04 0.00 0.00 33.50 32.56 2ayx n PRO 743 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ayx n GLU 744 N -1.29 1.56 -4.27 0.54 1.02 -1.26 -2.57 120.64 114.38 2ayx n GLU 744 Ca 0.05 -1.48 -0.24 0.00 -0.02 0.00 0.00 57.16 55.46 2ayx n GLU 744 Cb 0.09 -1.19 -0.08 0.00 -0.02 0.00 0.00 31.44 30.24 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ayx s ASP 745 N -0.87 4.57 0.09 1.62 1.11 0.19 -4.78 116.67 118.60 2ayx s ASP 745 Ca 0.14 -0.57 0.10 0.00 0.18 0.00 0.00 52.55 52.40 2ayx s ASP 745 Cb 0.09 -0.87 -0.03 0.00 1.07 0.00 0.00 42.92 43.17 2ayx s ASP 745 CO 0.12 0.03 -0.26 0.68 1.18 0.00 0.00 175.17 176.92 2ayx s VAL 746 N -2.10 2.15 -0.28 -1.27 -7.23 -1.26 -0.95 120.40 109.47 2ayx s VAL 746 Ca 0.30 -1.59 0.03 0.00 -1.81 0.00 0.00 61.98 58.91 2ayx s VAL 746 Cb -0.07 -1.88 0.07 0.00 0.56 0.00 0.00 36.38 35.05 2ayx s VAL 746 CO 0.19 0.18 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.87 2ayx s LEU 747 N -1.72 3.75 -0.45 1.32 0.20 -0.49 -2.28 118.68 119.01 2ayx s LEU 747 Ca 0.12 -1.56 -0.19 0.00 0.69 0.00 0.00 54.13 53.20 2ayx s LEU 747 Cb -0.10 -1.57 0.04 0.00 -0.43 0.00 0.00 46.19 44.12 2ayx s LEU 747 CO 0.04 -0.23 0.55 -0.63 -0.29 0.00 0.00 176.35 175.79 2ayx s ILE 748 N 1.06 4.95 0.34 6.68 1.01 0.10 -0.58 121.20 134.76 2ayx s ILE 748 Ca -0.05 -0.29 0.09 0.00 0.00 0.00 0.00 60.65 60.40 2ayx s ILE 748 Cb -0.20 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.04 2ayx s ILE 748 CO -0.06 -0.60 -0.07 0.28 0.00 0.00 0.00 174.94 174.49 2ayx s THR 749 N 2.47 2.07 0.09 2.92 -1.32 -0.04 -0.43 115.64 121.40 2ayx s THR 749 Ca 0.16 -2.17 0.09 0.00 -1.21 0.00 0.00 61.69 58.56 2ayx s THR 749 Cb -0.17 -2.64 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 2ayx s THR 749 CO 0.14 -0.20 -0.23 1.51 -2.21 0.00 0.00 174.62 173.63 2ayx s ASP 750 N -3.58 2.82 1.94 8.08 -4.77 -1.03 -0.81 116.67 119.32 2ayx s ASP 750 Ca 0.32 -0.66 0.00 0.00 -3.30 0.00 0.00 52.55 48.91 2ayx s ASP 750 Cb 0.04 -0.19 0.00 0.00 -1.09 0.00 0.00 42.92 41.67 2ayx s ASP 750 CO 0.16 0.14 0.00 1.21 0.70 0.00 0.00 175.17 177.38 2ayx n GLU 751 N 1.28 0.00 -3.84 2.11 4.07 0.41 -4.23 120.64 120.44 2ayx n GLU 751 Ca -0.18 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.62 2ayx n GLU 751 Cb 0.53 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.77 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ayx s VAL 752 N 0.00 1.81 -0.07 6.31 1.01 -1.26 -4.73 120.40 123.46 2ayx s VAL 752 Ca 0.00 -2.51 0.25 0.00 0.00 0.00 0.00 61.98 59.72 2ayx s VAL 752 Cb 0.00 -2.29 0.28 0.00 0.00 0.00 0.00 36.38 34.37 2ayx s VAL 752 CO 0.00 -0.77 1.75 1.62 0.00 0.00 0.00 175.10 177.70 2ayx h VAL 753 N 5.81 0.30 -5.91 2.92 3.04 -1.95 -3.48 116.25 116.99 2ayx h VAL 753 Ca -0.06 -1.09 -0.37 0.00 -1.01 0.00 0.00 66.70 64.17 2ayx h VAL 753 Cb 0.95 1.86 0.11 0.00 -2.01 0.00 0.00 31.29 32.20 2ayx h VAL 753 CO 0.54 0.14 -0.85 -1.20 -1.01 0.00 0.00 177.57 175.20 2ayx n SER 754 N -3.21 -3.22 -3.83 3.17 7.64 -1.26 -5.01 113.62 107.91 2ayx n SER 754 Ca 0.02 -0.80 -0.14 0.00 1.01 0.00 0.00 58.87 58.95 2ayx n SER 754 Cb 0.47 -4.35 -0.15 0.00 -1.01 0.00 0.00 64.21 59.17 2ayx n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayx s LYS 755 N -5.54 0.08 -1.04 1.43 2.47 -1.26 -5.08 119.74 110.79 2ayx s LYS 755 Ca 0.19 0.07 -0.16 0.00 -1.56 0.00 0.00 55.97 54.50 2ayx s LYS 755 Cb -0.04 -0.22 0.15 0.00 -1.46 0.00 0.00 37.83 36.26 2ayx s LYS 755 CO 0.79 -0.08 1.23 0.21 0.16 0.00 0.00 175.35 177.67 2ayx s LYS 756 N 0.59 3.81 -0.76 4.03 2.47 -1.26 -4.97 119.74 123.64 2ayx s LYS 756 Ca -0.05 -2.15 -0.25 0.00 -1.56 0.00 0.00 55.97 51.95 2ayx s LYS 756 Cb -0.08 -4.95 -0.04 0.00 -1.46 0.00 0.00 37.83 31.31 2ayx s LYS 756 CO -0.01 -1.74 1.95 -0.46 0.16 0.00 0.00 175.35 175.25 2ayx s TRP 757 N 2.05 1.69 -1.44 4.03 -0.11 -1.26 -4.87 118.94 119.03 2ayx s TRP 757 Ca 0.36 0.79 -0.12 0.00 1.22 0.00 0.00 56.10 58.36 2ayx s TRP 757 Cb -0.04 -4.02 0.05 0.00 -1.50 0.00 0.00 33.47 27.96 2ayx s TRP 757 CO -0.06 -2.00 2.30 1.04 -4.62 0.00 0.00 176.95 173.61 2ayx n GLN 758 N 9.00 3.28 0.00 5.86 6.02 -1.26 -4.75 117.38 135.52 2ayx n GLN 758 Ca 0.32 -2.78 0.00 0.00 -0.01 0.00 0.00 57.00 54.54 2ayx n GLN 758 Cb 0.49 -3.08 0.00 0.00 1.02 0.00 0.00 30.24 28.67 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ayx n GLY 759 N 3.58 4.79 0.10 1.08 0.00 -1.26 -4.18 105.19 109.31 2ayx n GLY 759 Ca 0.55 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2ayx n GLY 759 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ayx h ARG 760 N 0.00 0.08 -1.77 1.61 2.43 -0.77 -3.42 114.38 112.55 2ayx h ARG 760 Ca 0.00 -0.14 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2ayx h ARG 760 Cb 0.00 0.05 -0.24 0.00 -0.42 0.00 0.00 29.97 29.36 2ayx h ARG 760 CO 0.00 1.07 0.30 0.00 -1.51 0.00 0.00 179.97 179.83 2ayx s ALA 761 N -2.37 -1.92 -0.13 2.80 0.00 -1.19 -4.33 121.76 114.62 2ayx s ALA 761 Ca -0.24 2.00 -0.00 0.00 0.00 0.00 0.00 51.96 53.72 2ayx s ALA 761 Cb 0.03 -1.37 -0.02 0.00 0.00 0.00 0.00 23.12 21.77 2ayx s ALA 761 CO 0.67 -0.29 -0.13 0.54 0.00 0.00 0.00 175.76 176.55 2ayx s VAL 762 N 0.48 3.08 -0.26 0.00 0.11 0.02 -1.40 120.40 122.43 2ayx s VAL 762 Ca 0.00 -0.66 -0.01 0.00 -2.93 0.00 0.00 61.98 58.38 2ayx s VAL 762 Cb -0.05 -2.29 0.04 0.00 -1.53 0.00 0.00 36.38 32.55 2ayx s VAL 762 CO -0.05 0.53 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.50 2ayx s VAL 763 N 0.29 2.82 -0.36 2.04 1.01 0.25 -0.81 120.40 125.65 2ayx s VAL 763 Ca -0.10 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 60.57 2ayx s VAL 763 Cb -0.16 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2ayx s VAL 763 CO 0.05 0.09 0.22 -0.89 0.00 0.00 0.00 175.10 174.57 2ayx s THR 764 N 1.28 4.86 -0.54 3.92 2.01 0.16 -0.86 115.64 126.46 2ayx s THR 764 Ca -0.02 -0.56 -0.23 0.00 0.31 0.00 0.00 61.69 61.18 2ayx s THR 764 Cb -0.18 -3.60 0.05 0.00 0.01 0.00 0.00 72.50 68.78 2ayx s THR 764 CO -0.04 -0.12 0.85 -0.36 -0.69 0.00 0.00 174.62 174.27 2ayx s PHE 765 N 1.63 2.87 -0.09 4.92 0.08 0.01 -0.90 117.98 126.49 2ayx s PHE 765 Ca 0.04 -0.16 -0.15 0.00 0.12 0.00 0.00 56.93 56.78 2ayx s PHE 765 Cb -0.18 -3.92 -0.05 0.00 -0.57 0.00 0.00 43.02 38.30 2ayx s PHE 765 CO 0.08 -1.26 0.37 0.00 -0.10 0.00 0.00 175.22 174.31 2ayx n ARG 767 N 2.91 0.11 0.00 0.00 5.12 -1.26 -3.91 116.66 119.63 2ayx n ARG 767 Ca -0.12 0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.85 2ayx n ARG 767 Cb 0.52 -0.54 0.00 0.00 -1.16 0.00 0.00 32.46 31.28 2ayx n ARG 767 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2ayx n ARG 768 N -3.24 2.71 -4.91 5.56 0.63 -1.26 -5.04 116.66 111.11 2ayx n ARG 768 Ca -0.03 0.00 -0.33 0.00 -0.92 0.00 0.00 57.85 56.58 2ayx n ARG 768 Cb 0.10 -0.92 -0.14 0.00 0.45 0.00 0.00 32.46 31.95 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2ayx s HIS 769 N -1.84 2.71 0.23 -0.14 2.46 -1.26 -5.12 115.29 112.33 2ayx s HIS 769 Ca 0.00 -0.55 0.07 0.00 0.47 0.00 0.00 55.06 55.05 2ayx s HIS 769 Cb 0.00 -1.74 -0.04 0.00 -0.13 0.00 0.00 32.58 30.67 2ayx s HIS 769 CO 0.00 -0.11 0.17 0.42 -2.47 0.00 0.00 174.74 172.75 2ayx s ILE 770 N -0.02 4.42 0.00 0.89 1.01 -1.26 -4.40 121.20 121.84 2ayx s ILE 770 Ca -0.04 -1.34 0.00 0.00 0.00 0.00 0.00 60.65 59.26 2ayx s ILE 770 Cb -0.14 -3.36 0.00 0.00 0.01 0.00 0.00 42.46 38.97 2ayx s ILE 770 CO 0.04 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.30 2ayx n GLY 771 N -0.97 0.05 3.74 6.18 0.00 -1.26 -4.96 105.19 107.98 2ayx n GLY 771 Ca -0.08 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 2ayx n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 772 N -0.82 4.73 0.00 -0.61 -1.09 -1.26 -5.05 121.20 117.10 2ayx s ILE 772 Ca 0.00 1.72 0.00 0.00 -2.23 0.00 0.00 60.65 60.14 2ayx s ILE 772 Cb 0.00 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 2ayx s ILE 772 CO 0.00 0.33 0.00 -0.81 -1.23 0.00 0.00 174.94 173.23 2ayx n PRO 773 N 2.95 0.00 -3.70 2.79 -0.04 -1.26 -5.04 135.00 130.70 2ayx n PRO 773 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2ayx n PRO 773 Cb 0.50 -0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 2ayx n PRO 773 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ayx n LEU 774 N 0.00 0.00 -3.48 1.53 -0.00 -1.26 -4.82 117.00 108.97 2ayx n LEU 774 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 56.01 55.60 2ayx n LEU 774 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 2ayx n LEU 774 CO 0.00 0.00 1.58 -0.62 -0.00 0.00 0.00 177.39 178.35 2ayx n GLU 775 N -0.13 0.30 0.00 1.47 4.71 -0.78 -3.77 120.64 122.45 2ayx n GLU 775 Ca 0.00 -1.13 0.00 0.00 -0.01 0.00 0.00 57.16 56.02 2ayx n GLU 775 Cb 0.00 -2.54 0.00 0.00 -1.01 0.00 0.00 31.44 27.89 2ayx n GLU 775 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2ayx n LYS 776 N 7.56 1.20 -3.86 3.49 2.85 -1.26 -5.05 118.16 123.09 2ayx n LYS 776 Ca 0.44 -0.89 -0.11 0.00 -1.05 0.00 0.00 58.31 56.70 2ayx n LYS 776 Cb 0.38 -0.78 -0.10 0.00 -0.65 0.00 0.00 35.03 33.89 2ayx n LYS 776 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2ayx s ALA 777 N -0.44 -0.36 -0.72 0.58 0.00 -1.25 -5.09 121.76 114.48 2ayx s ALA 777 Ca 0.00 -0.07 -0.26 0.00 0.00 0.00 0.00 51.96 51.64 2ayx s ALA 777 Cb 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.13 2ayx s ALA 777 CO 0.00 -0.21 2.20 -2.14 0.00 0.00 0.00 175.76 175.62 2ayx s PRO 778 N -1.30 2.12 0.00 0.00 0.02 -1.26 -2.15 135.00 132.43 2ayx s PRO 778 Ca -0.14 0.52 0.00 0.00 0.02 0.00 0.00 61.00 61.40 2ayx s PRO 778 Cb -0.07 -4.75 0.00 0.00 0.02 0.00 0.00 34.50 29.70 2ayx s PRO 778 CO 0.02 -3.64 0.00 0.41 -0.33 0.00 0.00 177.00 173.46 2ayx n GLY 779 N 6.46 1.60 3.18 0.52 0.00 -1.26 -4.95 105.19 110.73 2ayx n GLY 779 Ca 0.39 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.08 2ayx n GLY 779 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ayx s GLU 780 N -0.01 3.03 -0.01 1.61 -6.30 -0.91 -0.80 118.70 115.30 2ayx s GLU 780 Ca 0.00 -0.85 0.01 0.00 -2.50 0.00 0.00 54.97 51.63 2ayx s GLU 780 Cb 0.00 -2.45 0.01 0.00 0.00 0.00 0.00 34.13 31.69 2ayx s GLU 780 CO 0.00 -0.02 -0.02 -1.58 0.02 0.00 0.00 175.26 173.66 2ayx s TRP 781 N 0.83 0.34 0.13 5.30 0.52 0.01 -1.86 118.94 124.21 2ayx s TRP 781 Ca -0.07 -0.05 0.06 0.00 0.02 0.00 0.00 56.10 56.06 2ayx s TRP 781 Cb -0.15 -0.30 -0.04 0.00 -1.15 0.00 0.00 33.47 31.83 2ayx s TRP 781 CO -0.02 -0.06 -0.13 0.14 0.02 0.00 0.00 176.95 176.90 2ayx s VAL 782 N 0.34 1.31 -0.29 4.03 -7.23 -1.26 -0.66 120.40 116.64 2ayx s VAL 782 Ca -0.03 -1.79 -0.14 0.00 -1.81 0.00 0.00 61.98 58.21 2ayx s VAL 782 Cb -0.06 -1.59 0.10 0.00 0.56 0.00 0.00 36.38 35.39 2ayx s VAL 782 CO -0.01 -0.48 0.71 -2.28 -0.31 0.00 0.00 175.10 172.74 2ayx s HIS 783 N -2.35 -1.09 -0.59 2.82 2.46 -0.08 -4.90 115.29 111.56 2ayx s HIS 783 Ca 0.10 2.07 -0.18 0.00 0.47 0.00 0.00 55.06 57.53 2ayx s HIS 783 Cb -0.04 0.65 0.12 0.00 -0.13 0.00 0.00 32.58 33.18 2ayx s HIS 783 CO 0.03 -0.54 0.64 -1.12 -2.47 0.00 0.00 174.74 171.28 2ayx s SER 784 N 1.99 6.21 0.01 9.88 0.01 -1.26 -1.86 113.70 128.67 2ayx s SER 784 Ca -0.09 -1.62 -0.01 0.00 1.31 0.00 0.00 55.95 55.55 2ayx s SER 784 Cb -0.07 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.90 2ayx s SER 784 CO -0.19 -1.01 0.06 1.33 0.41 0.00 0.00 173.24 173.84 2ayx n VAL 785 N 5.39 0.00 -2.83 3.43 0.24 -1.25 -4.95 118.33 118.36 2ayx n VAL 785 Ca -0.10 -0.02 -0.25 0.00 -2.04 0.00 0.00 64.34 61.93 2ayx n VAL 785 Cb 0.42 0.04 -0.02 0.00 -1.47 0.00 0.00 33.84 32.80 2ayx n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ayx n ALA 786 N -2.88 4.38 -3.45 2.33 0.00 -1.26 -4.73 120.51 114.90 2ayx n ALA 786 Ca -0.01 -4.35 -0.20 0.00 0.00 0.00 0.00 53.44 48.88 2ayx n ALA 786 Cb 0.03 -0.72 0.04 0.00 0.00 0.00 0.00 19.45 18.80 2ayx n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayx n ALA 787 N -0.23 -2.55 -0.53 0.00 0.00 -1.26 -4.75 120.51 111.18 2ayx n ALA 787 Ca 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.62 2ayx n ALA 787 Cb 0.52 -3.63 -0.04 0.00 0.00 0.00 0.00 19.45 16.30 2ayx n ALA 787 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ayx n PRO 788 N -3.26 1.06 -0.74 0.00 -0.02 -1.26 -4.70 135.00 126.08 2ayx n PRO 788 Ca -0.09 -0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.13 2ayx n PRO 788 Cb 0.59 -1.36 0.00 0.00 -0.02 0.00 0.00 33.50 32.71 2ayx n PRO 788 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2ayx n HIS 789 N 1.93 0.00 -0.09 6.00 1.44 -1.26 -4.78 115.22 118.46 2ayx n HIS 789 Ca 0.11 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.59 2ayx n HIS 789 Cb 0.51 -0.77 -0.12 0.00 0.12 0.00 0.00 29.99 29.73 2ayx n HIS 789 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2ayx n GLU 790 N -2.00 0.63 -0.18 -1.40 -0.00 -1.26 -4.14 120.64 112.29 2ayx n GLU 790 Ca 0.00 0.35 -0.06 0.00 -0.00 0.00 0.00 57.16 57.45 2ayx n GLU 790 Cb 0.00 -1.63 0.04 0.00 -0.00 0.00 0.00 31.44 29.85 2ayx n GLU 790 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ayx h LEU 791 N -0.59 0.52 -1.81 -1.84 5.85 -1.93 -1.45 115.31 114.06 2ayx h LEU 791 Ca -0.51 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.38 2ayx h LEU 791 Cb 1.66 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.54 2ayx h LEU 791 CO -0.19 0.37 0.46 -0.65 -0.34 0.00 0.00 178.44 178.09 2ayx h PRO 792 N 0.64 0.18 -0.20 5.25 0.11 -1.95 0.12 132.00 136.15 2ayx h PRO 792 Ca 0.21 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.21 2ayx h PRO 792 Cb 0.01 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.08 2ayx h PRO 792 CO -0.09 0.12 -0.26 0.00 -0.21 0.00 0.00 178.00 177.56 2ayx h ALA 793 N 1.68 0.29 0.00 -0.75 0.00 -1.44 -2.63 119.26 116.41 2ayx h ALA 793 Ca 0.32 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 2ayx h ALA 793 Cb 1.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2ayx h ALA 793 CO -0.05 0.28 -0.51 1.25 0.00 0.00 0.00 179.25 180.22 2ayx h LEU 794 N 0.18 0.00 -0.87 0.00 6.46 -0.74 -2.68 115.31 117.66 2ayx h LEU 794 Ca 0.02 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.74 2ayx h LEU 794 Cb 0.83 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.72 2ayx h LEU 794 CO 0.06 0.51 0.32 0.25 -0.62 0.00 0.00 178.44 178.96 2ayx h LEU 795 N 0.00 1.05 -0.09 2.25 7.12 -0.73 0.17 115.31 125.08 2ayx h LEU 795 Ca -0.01 -0.15 -0.00 0.00 0.13 0.00 0.00 57.88 57.85 2ayx h LEU 795 Cb 0.97 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 40.82 2ayx h LEU 795 CO 0.07 0.92 0.04 0.00 -0.13 0.00 0.00 178.44 179.34 2ayx h ALA 796 N 1.23 0.12 -0.08 1.25 0.00 -1.15 -2.49 119.26 118.13 2ayx h ALA 796 Ca 0.26 -0.09 -0.14 0.00 0.00 0.00 0.00 54.91 54.94 2ayx h ALA 796 Cb 0.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2ayx h ALA 796 CO -0.02 -0.30 -0.57 0.07 0.00 0.00 0.00 179.25 178.43 2ayx h ARG 797 N 0.01 0.26 -0.38 0.00 0.11 -1.28 0.91 114.38 114.01 2ayx h ARG 797 Ca 0.03 -0.17 -0.01 0.00 0.10 0.00 0.00 59.98 59.93 2ayx h ARG 797 Cb 0.15 0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.23 2ayx h ARG 797 CO -0.00 0.76 0.20 0.82 0.10 0.00 0.00 179.97 181.85 2ayx h ILE 798 N 0.20 1.13 0.00 0.08 2.04 -0.60 -3.26 117.51 117.10 2ayx h ILE 798 Ca -0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2ayx h ILE 798 Cb 1.06 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 2ayx h ILE 798 CO 0.09 0.14 -0.14 1.88 0.00 0.00 0.00 178.15 180.12 2ayx h TYR 799 N 0.53 0.00 -6.11 1.37 0.05 -1.08 -3.50 116.97 108.23 2ayx h TYR 799 Ca 0.14 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.66 2ayx h TYR 799 Cb 0.03 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.78 2ayx h TYR 799 CO 0.00 0.00 -0.78 -0.11 -1.05 0.00 0.00 178.16 176.22 2ayx n LEU 800 N -4.34 -4.34 -0.11 3.88 -0.00 0.28 -4.97 117.00 107.41 2ayx n LEU 800 Ca -0.02 -0.24 -0.22 0.00 -0.00 0.00 0.00 56.01 55.53 2ayx n LEU 800 Cb 0.07 -2.34 -0.07 0.00 -0.00 0.00 0.00 43.42 41.08 2ayx n LEU 800 CO 0.03 -0.61 -1.22 -0.38 -0.00 0.00 0.00 177.39 175.21 2ayx n ILE 801 N -1.27 1.16 -4.07 1.96 -0.00 -1.26 -5.01 119.36 110.88 2ayx n ILE 801 Ca -0.10 -0.29 -0.32 0.00 -0.00 0.00 0.00 62.75 62.05 2ayx n ILE 801 Cb 0.60 -1.79 -0.01 0.00 -0.00 0.00 0.00 39.64 38.44 2ayx n ILE 801 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2ayx n GLU 802 N -3.95 -3.86 -2.85 0.38 -0.58 -1.19 -4.86 120.64 103.73 2ayx n GLU 802 Ca -0.41 0.45 -0.40 0.00 -0.42 0.00 0.00 57.16 56.37 2ayx n GLU 802 Cb 0.79 -5.07 -0.06 0.00 -0.57 0.00 0.00 31.44 26.53 2ayx n GLU 802 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 2ayx s MET 803 N -6.73 4.69 -0.47 3.49 1.75 -0.42 -4.71 119.30 116.89 2ayx s MET 803 Ca 0.53 1.33 -0.28 0.00 -1.25 0.00 0.00 55.69 56.01 2ayx s MET 803 Cb -0.28 -3.31 0.01 0.00 2.84 0.00 0.00 34.83 34.09 2ayx s MET 803 CO 0.89 0.44 1.49 -1.83 -0.65 0.00 0.00 175.02 175.36 2ayx s GLU 804 N -0.78 3.37 0.96 4.11 1.03 -1.26 -4.48 118.70 121.66 2ayx s GLU 804 Ca 0.40 0.79 -0.13 0.00 0.03 0.00 0.00 54.97 56.06 2ayx s GLU 804 Cb -0.24 -4.11 0.17 0.00 -0.80 0.00 0.00 34.13 29.15 2ayx s GLU 804 CO 0.29 -1.83 1.12 -1.12 -1.33 0.00 0.00 175.26 172.39 2ayx s SER 805 N 4.68 3.00 0.00 0.83 0.01 -1.26 -5.03 113.70 115.93 2ayx s SER 805 Ca 0.60 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.90 2ayx s SER 805 Cb -0.13 -1.63 0.00 0.00 0.21 0.00 0.00 66.02 64.46 2ayx s SER 805 CO 0.29 -2.88 0.00 -0.67 0.41 0.00 0.00 173.24 170.39 2ayx n ASP 806 N -3.99 0.00 -3.08 2.44 2.03 -1.26 -5.12 116.55 107.58 2ayx n ASP 806 Ca 0.06 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.19 2ayx n ASP 806 Cb 0.58 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 41.00 2ayx n ASP 806 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ayx n ASP 807 N -2.20 -7.09 -4.77 1.67 2.03 -1.26 -4.96 116.55 99.96 2ayx n ASP 807 Ca 0.00 0.36 -0.30 0.00 0.52 0.00 0.00 54.79 55.37 2ayx n ASP 807 Cb 0.00 -3.98 0.09 0.00 -0.72 0.00 0.00 41.12 36.51 2ayx n ASP 807 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2ayx s PRO 808 N -2.42 2.09 0.64 -0.67 0.04 -1.26 -5.06 135.00 128.36 2ayx s PRO 808 Ca 0.27 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.19 2ayx s PRO 808 Cb -0.05 -1.90 0.06 0.00 0.04 0.00 0.00 34.50 32.65 2ayx s PRO 808 CO 0.78 -1.68 0.91 0.00 0.04 0.00 0.00 177.00 177.04 2ayx s ALA 809 N -3.00 3.55 -0.12 8.56 0.00 -1.26 -5.12 121.76 124.37 2ayx s ALA 809 Ca 0.61 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.19 2ayx s ALA 809 Cb -0.16 -2.28 0.04 0.00 0.00 0.00 0.00 23.12 20.72 2ayx s ALA 809 CO 0.56 -1.09 0.42 1.21 0.00 0.00 0.00 175.76 176.86 2ayx s ASN 810 N -4.51 -0.40 0.11 0.00 2.47 -1.26 -5.17 114.94 106.18 2ayx s ASN 810 Ca 0.60 0.69 0.08 0.00 0.42 0.00 0.00 52.86 54.65 2ayx s ASN 810 Cb -0.10 0.73 -0.04 0.00 -1.45 0.00 0.00 41.25 40.40 2ayx s ASN 810 CO 0.42 -0.24 -0.20 0.00 -3.72 0.00 0.00 177.10 173.36 2ayx s ALA 811 N -0.19 1.78 -0.06 1.71 0.00 -1.26 -5.14 121.76 118.60 2ayx s ALA 811 Ca -0.04 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.65 2ayx s ALA 811 Cb -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.89 2ayx s ALA 811 CO 0.02 0.31 -0.07 -0.48 0.00 0.00 0.00 175.76 175.54 2ayx s LEU 812 N -2.08 1.34 0.84 0.00 2.34 -1.26 -5.15 118.68 114.70 2ayx s LEU 812 Ca 0.08 -0.19 -0.11 0.00 0.06 0.00 0.00 54.13 53.97 2ayx s LEU 812 Cb -0.09 -0.60 0.13 0.00 -0.56 0.00 0.00 46.19 45.07 2ayx s LEU 812 CO 0.05 -0.05 1.17 -2.16 -1.06 0.00 0.00 176.35 174.30 2ayx s PRO 813 N 1.03 1.41 0.02 1.48 0.04 -1.26 -5.11 135.00 132.61 2ayx s PRO 813 Ca -0.09 -0.38 0.02 0.00 0.04 0.00 0.00 61.00 60.59 2ayx s PRO 813 Cb -0.14 -2.02 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 2ayx s PRO 813 CO -0.00 -1.84 -0.07 -1.12 0.04 0.00 0.00 177.00 174.01 2ayx s SER 814 N -4.72 0.75 -0.93 6.66 0.01 -1.26 -5.10 113.70 109.11 2ayx s SER 814 Ca 0.67 -0.34 -0.06 0.00 1.31 0.00 0.00 55.95 57.53 2ayx s SER 814 Cb -0.07 -0.01 0.23 0.00 0.21 0.00 0.00 66.02 66.38 2ayx s SER 814 CO 0.49 -0.08 0.85 -0.89 0.41 0.00 0.00 173.24 174.02 2ayx s THR 815 N -0.80 5.00 0.32 1.44 2.01 -1.26 -5.05 115.64 117.30 2ayx s THR 815 Ca -0.04 -3.43 -0.06 0.00 0.31 0.00 0.00 61.69 58.46 2ayx s THR 815 Cb -0.06 -4.07 -0.06 0.00 0.01 0.00 0.00 72.50 68.32 2ayx s THR 815 CO 0.00 -1.09 0.61 -0.62 -0.69 0.00 0.00 174.62 172.83 2ayx s ASP 816 N 0.75 6.47 0.21 3.53 2.15 -1.26 -5.10 116.67 123.42 2ayx s ASP 816 Ca 0.26 0.82 -0.19 0.00 0.43 0.00 0.00 52.55 53.87 2ayx s ASP 816 Cb -0.10 -2.19 0.03 0.00 -0.30 0.00 0.00 42.92 40.36 2ayx s ASP 816 CO -0.09 -0.24 0.59 -1.59 -0.17 0.00 0.00 175.17 173.66 2ayx s LYS 817 N -3.60 1.48 -0.06 4.34 -2.85 -1.26 -5.18 119.74 112.61 2ayx s LYS 817 Ca 0.46 -0.85 -0.06 0.00 -1.00 0.00 0.00 55.97 54.52 2ayx s LYS 817 Cb -0.11 0.55 0.02 0.00 -2.06 0.00 0.00 37.83 36.23 2ayx s LYS 817 CO 0.30 -0.65 0.17 0.00 0.10 0.00 0.00 175.35 175.28 2ayx s ALA 818 N -3.87 -0.43 -0.20 0.59 0.00 -1.26 -5.15 121.76 111.44 2ayx s ALA 818 Ca 0.09 0.44 0.01 0.00 0.00 0.00 0.00 51.96 52.50 2ayx s ALA 818 Cb -0.02 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2ayx s ALA 818 CO -0.01 -0.10 -0.17 0.08 0.00 0.00 0.00 175.76 175.56 2ayx s VAL 819 N -0.05 2.21 0.00 0.00 1.01 -1.26 -5.11 120.40 117.20 2ayx s VAL 819 Ca -0.01 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2ayx s VAL 819 Cb -0.02 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.36 2ayx s VAL 819 CO 0.00 0.43 0.00 -1.20 0.00 0.00 0.00 175.10 174.33 2ayx n SER 820 N 4.61 0.00 -4.60 3.32 7.64 -1.26 -5.12 113.62 118.20 2ayx n SER 820 Ca -0.19 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.45 2ayx n SER 820 Cb 0.49 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.61 2ayx n SER 820 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayx s ASP 821 N -1.00 4.34 0.00 6.43 2.15 -1.26 -5.12 116.67 122.22 2ayx s ASP 821 Ca 0.00 -0.69 0.00 0.00 0.43 0.00 0.00 52.55 52.29 2ayx s ASP 821 Cb 0.00 -0.74 0.00 0.00 -0.30 0.00 0.00 42.92 41.88 2ayx s ASP 821 CO 0.00 0.03 0.00 -3.20 -0.17 0.00 0.00 175.17 171.83 2ayx n ASN 822 N -0.66 0.00 -2.74 -0.34 2.85 -1.26 -5.08 115.26 108.03 2ayx n ASN 822 Ca -0.07 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.37 2ayx n ASN 822 Cb 0.58 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.58 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2ayx n ASP 823 N 0.00 -3.61 0.00 1.20 -0.08 -1.26 -5.05 116.55 107.75 2ayx n ASP 823 Ca 0.00 1.22 0.00 0.00 -1.51 0.00 0.00 54.79 54.50 2ayx n ASP 823 Cb 0.00 -3.70 0.00 0.00 2.34 0.00 0.00 41.12 39.76 2ayx n ASP 823 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ayx n ASP 824 N 2.06 0.00 -4.42 1.67 2.03 -1.26 -5.04 116.55 111.59 2ayx n ASP 824 Ca -0.22 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.76 2ayx n ASP 824 Cb 0.35 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.61 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2ayx s MET 825 N 0.58 2.48 -0.23 -0.67 1.75 -1.26 -5.08 119.30 116.87 2ayx s MET 825 Ca 0.00 -0.76 -0.07 0.00 -1.25 0.00 0.00 55.69 53.61 2ayx s MET 825 Cb 0.00 -2.31 -0.03 0.00 2.84 0.00 0.00 34.83 35.33 2ayx s MET 825 CO 0.00 0.57 0.07 -1.64 -0.65 0.00 0.00 175.02 173.36 2ayx s MET 826 N -0.60 3.75 -0.15 4.11 -1.94 -1.26 -2.35 119.30 120.87 2ayx s MET 826 Ca 0.09 -0.44 0.02 0.00 -1.71 0.00 0.00 55.69 53.65 2ayx s MET 826 Cb -0.11 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.45 2ayx s MET 826 CO 0.01 -0.05 -0.21 0.42 -0.01 0.00 0.00 175.02 175.18 2ayx s ILE 827 N 1.23 2.08 -0.21 2.53 -1.09 0.17 -1.82 121.20 124.09 2ayx s ILE 827 Ca 0.05 -0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 57.45 2ayx s ILE 827 Cb -0.14 -1.84 -0.02 0.00 -1.58 0.00 0.00 42.46 38.88 2ayx s ILE 827 CO 0.03 0.55 -0.00 -0.22 -1.23 0.00 0.00 174.94 174.07 2ayx s LEU 828 N 0.89 3.20 -0.19 2.97 2.96 -0.91 -0.87 118.68 126.72 2ayx s LEU 828 Ca -0.05 -0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 53.55 2ayx s LEU 828 Cb -0.15 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 2ayx s LEU 828 CO -0.04 0.04 0.04 0.68 -1.32 0.00 0.00 176.35 175.75 2ayx s VAL 829 N 1.15 4.49 -0.51 1.68 -7.23 -0.07 -0.80 120.40 119.11 2ayx s VAL 829 Ca 0.03 -0.14 0.03 0.00 -1.81 0.00 0.00 61.98 60.09 2ayx s VAL 829 Cb -0.14 -3.02 0.14 0.00 0.56 0.00 0.00 36.38 33.92 2ayx s VAL 829 CO 0.01 0.45 0.30 -0.69 -0.31 0.00 0.00 175.10 174.86 2ayx s VAL 830 N 0.56 1.91 -0.10 1.32 1.01 -0.05 -0.67 120.40 124.40 2ayx s VAL 830 Ca 0.02 -3.08 -0.02 0.00 0.00 0.00 0.00 61.98 58.90 2ayx s VAL 830 Cb -0.13 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2ayx s VAL 830 CO 0.02 -0.91 -0.01 -0.62 0.00 0.00 0.00 175.10 173.57 2ayx s ASP 831 N -0.17 5.09 0.42 3.32 -1.08 -0.97 -0.72 116.67 122.57 2ayx s ASP 831 Ca 0.20 0.07 0.12 0.00 -0.52 0.00 0.00 52.55 52.42 2ayx s ASP 831 Cb -0.19 -1.49 0.92 0.00 -1.46 0.00 0.00 42.92 40.69 2ayx s ASP 831 CO -0.04 0.33 1.98 -2.24 0.52 0.00 0.00 175.17 175.72 2ayx h ASP 832 N 5.48 0.13 -3.33 -0.34 3.04 -1.82 -3.39 116.42 116.20 2ayx h ASP 832 Ca -0.47 -0.02 -0.64 0.00 -3.24 0.00 0.00 57.03 52.66 2ayx h ASP 832 Cb 1.19 -0.03 -0.22 0.00 -1.04 0.00 0.00 39.33 39.23 2ayx h ASP 832 CO 0.56 0.27 -0.66 -1.00 -2.04 0.00 0.00 179.24 176.37 2ayx s HIS 833 N -4.77 3.03 0.21 4.15 3.76 -1.26 -5.00 115.29 115.41 2ayx s HIS 833 Ca -0.05 -0.32 -0.09 0.00 -0.15 0.00 0.00 55.06 54.45 2ayx s HIS 833 Cb 0.16 -1.99 0.30 0.00 1.11 0.00 0.00 32.58 32.16 2ayx s HIS 833 CO 0.71 -0.07 1.75 -1.35 -0.85 0.00 0.00 174.74 174.93 2ayx h PRO 834 N 6.87 0.44 -0.48 8.40 0.11 -1.99 0.35 132.00 145.70 2ayx h PRO 834 Ca -0.32 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 2ayx h PRO 834 Cb 1.19 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 2ayx h PRO 834 CO 0.63 0.29 -0.01 -0.84 -0.21 0.00 0.00 178.00 177.86 2ayx h ILE 835 N 0.45 1.24 -0.11 4.15 3.07 -1.97 -0.51 117.51 123.83 2ayx h ILE 835 Ca 0.32 -1.02 -0.09 0.00 1.55 0.00 0.00 64.86 65.62 2ayx h ILE 835 Cb 0.40 0.89 0.00 0.00 -0.27 0.00 0.00 36.82 37.83 2ayx h ILE 835 CO -0.31 0.36 -0.29 -1.13 -1.05 0.00 0.00 178.15 175.74 2ayx h ASN 836 N 0.75 0.44 -0.47 2.16 -1.24 -1.76 -2.23 115.58 113.23 2ayx h ASN 836 Ca 0.14 -0.59 0.08 0.00 0.71 0.00 0.00 56.30 56.65 2ayx h ASN 836 Cb 0.47 -0.13 -0.07 0.00 0.73 0.00 0.00 38.32 39.32 2ayx h ASN 836 CO 0.02 0.95 0.08 -0.09 -1.29 0.00 0.00 177.43 177.10 2ayx h ARG 837 N -0.04 0.21 0.00 6.67 2.43 -0.16 -0.65 114.38 122.84 2ayx h ARG 837 Ca -0.00 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2ayx h ARG 837 Cb 0.90 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 2ayx h ARG 837 CO 0.06 0.14 -0.29 -0.09 -1.51 0.00 0.00 179.97 178.28 2ayx h ARG 838 N 0.21 0.00 0.11 0.20 1.12 -1.08 -0.43 114.38 114.51 2ayx h ARG 838 Ca 0.23 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 59.10 2ayx h ARG 838 Cb 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.27 2ayx h ARG 838 CO -0.32 0.29 -0.05 1.25 -3.11 0.00 0.00 179.97 178.03 2ayx h LEU 839 N 0.00 -0.12 -0.78 3.80 5.85 -0.50 -0.74 115.31 122.82 2ayx h LEU 839 Ca -0.00 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.39 2ayx h LEU 839 Cb 0.52 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 2ayx h LEU 839 CO 0.04 0.14 -0.59 0.17 -0.34 0.00 0.00 178.44 177.86 2ayx h LEU 840 N -0.39 0.00 -1.25 2.25 -0.00 -1.23 -2.43 115.31 112.26 2ayx h LEU 840 Ca -0.01 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.79 2ayx h LEU 840 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2ayx h LEU 840 CO 0.02 0.59 -0.30 0.00 -0.00 0.00 0.00 178.44 178.76 2ayx h ALA 841 N 1.41 1.38 -0.27 0.17 0.00 -0.99 0.18 119.26 121.13 2ayx h ALA 841 Ca -0.01 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 2ayx h ALA 841 Cb 1.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2ayx h ALA 841 CO 0.08 0.45 -0.15 0.22 0.00 0.00 0.00 179.25 179.85 2ayx h ASP 842 N 0.11 0.60 0.24 0.00 3.58 -0.74 -0.36 116.42 119.85 2ayx h ASP 842 Ca 0.02 -0.42 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 2ayx h ASP 842 Cb 0.59 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.48 2ayx h ASP 842 CO 0.04 0.89 -0.12 1.56 -2.88 0.00 0.00 179.24 178.73 2ayx h GLN 843 N 0.32 -0.31 -0.15 0.28 7.50 -0.97 -1.47 115.11 120.31 2ayx h GLN 843 Ca 0.06 0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.21 2ayx h GLN 843 Cb 0.66 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 28.26 2ayx h GLN 843 CO 0.04 -0.19 0.01 1.25 -1.50 0.00 0.00 178.83 178.44 2ayx h LEU 844 N -0.34 0.18 -1.18 1.46 6.46 -1.02 -1.71 115.31 119.16 2ayx h LEU 844 Ca -0.03 -0.02 -0.07 0.00 -0.12 0.00 0.00 57.88 57.64 2ayx h LEU 844 Cb 0.26 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2ayx h LEU 844 CO 0.05 0.22 -0.14 1.23 -0.62 0.00 0.00 178.44 179.18 2ayx h GLY 845 N 0.41 0.44 2.00 3.75 0.00 -0.44 -0.18 103.07 109.05 2ayx h GLY 845 Ca 0.05 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 2ayx h GLY 845 CO 0.00 0.28 -0.25 1.76 0.00 0.00 0.00 176.54 178.33 2ayx h SER 846 N 0.38 0.00 -0.11 0.19 0.02 -0.43 -3.22 113.55 110.38 2ayx h SER 846 Ca 0.07 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 2ayx h SER 846 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2ayx h SER 846 CO 0.03 0.25 -0.41 0.25 -1.14 0.00 0.00 176.83 175.80 2ayx h LEU 847 N 0.00 0.55 0.00 5.07 5.85 -0.57 -3.48 115.31 122.72 2ayx h LEU 847 Ca -0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.09 2ayx h LEU 847 Cb 1.05 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2ayx h LEU 847 CO 0.03 1.08 0.00 0.61 -0.34 0.00 0.00 178.44 179.82 2ayx n GLY 848 N 0.64 1.55 3.93 3.75 0.00 -0.17 -5.10 105.19 109.80 2ayx n GLY 848 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 2ayx n GLY 848 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ayx s TYR 849 N -2.00 2.80 -0.30 1.61 2.02 -1.24 -5.04 117.35 115.20 2ayx s TYR 849 Ca 0.00 -0.42 -0.29 0.00 -0.37 0.00 0.00 57.07 56.00 2ayx s TYR 849 Cb 0.00 -2.20 -0.02 0.00 -0.40 0.00 0.00 41.96 39.34 2ayx s TYR 849 CO 0.00 -0.19 1.71 -0.65 -1.57 0.00 0.00 175.55 174.85 2ayx s GLN 850 N -4.20 3.49 -0.37 -0.62 -0.21 -0.99 -4.85 119.66 111.91 2ayx s GLN 850 Ca 0.50 1.45 -0.15 0.00 0.02 0.00 0.00 55.36 57.18 2ayx s GLN 850 Cb -0.06 -4.13 0.00 0.00 1.00 0.00 0.00 33.01 29.81 2ayx s GLN 850 CO 0.30 -1.66 0.33 0.00 -2.12 0.00 0.00 175.29 172.13 2ayx s LYS 852 N 1.87 2.96 -0.30 0.00 3.01 -0.05 -5.01 119.74 122.21 2ayx s LYS 852 Ca 0.08 -1.01 -0.19 0.00 -1.01 0.00 0.00 55.97 53.84 2ayx s LYS 852 Cb -0.18 -3.88 -0.01 0.00 -1.01 0.00 0.00 37.83 32.75 2ayx s LYS 852 CO 0.11 -0.71 0.59 0.95 0.51 0.00 0.00 175.35 176.80 2ayx s THR 853 N 1.64 4.98 0.12 2.17 -4.23 -1.26 -0.90 115.64 118.16 2ayx s THR 853 Ca 0.04 0.79 0.01 0.00 -1.18 0.00 0.00 61.69 61.34 2ayx s THR 853 Cb -0.19 -3.96 -0.04 0.00 1.34 0.00 0.00 72.50 69.65 2ayx s THR 853 CO 0.09 -0.10 -0.02 0.00 -0.54 0.00 0.00 174.62 174.05 2ayx s ALA 854 N 2.51 1.01 -0.47 3.99 0.00 0.16 -4.99 121.76 123.97 2ayx s ALA 854 Ca 0.23 -1.43 0.06 0.00 0.00 0.00 0.00 51.96 50.83 2ayx s ALA 854 Cb -0.15 0.42 0.21 0.00 0.00 0.00 0.00 23.12 23.60 2ayx s ALA 854 CO 0.11 -0.32 0.67 0.27 0.00 0.00 0.00 175.76 176.49 2ayx n ASN 855 N -0.09 -2.16 0.00 0.00 6.94 -1.26 -2.28 115.26 116.40 2ayx n ASN 855 Ca -0.09 -2.89 0.00 0.00 -0.02 0.00 0.00 54.58 51.57 2ayx n ASN 855 Cb 0.62 0.96 0.00 0.00 -2.36 0.00 0.00 39.78 39.00 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2ayx n ASP 856 N 2.31 0.00 -0.03 0.53 2.03 -1.26 -4.90 116.55 115.22 2ayx n ASP 856 Ca 0.18 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.35 2ayx n ASP 856 Cb 0.56 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.86 2ayx n ASP 856 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ayx h GLY 857 N 0.00 0.20 1.66 0.27 0.00 -1.97 -2.54 103.07 100.70 2ayx h GLY 857 Ca 0.00 -0.26 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 2ayx h GLY 857 CO 0.00 0.23 -0.70 -2.08 0.00 0.00 0.00 176.54 173.99 2ayx h VAL 858 N -0.35 1.39 -0.47 4.60 2.07 -1.98 -2.64 116.25 118.86 2ayx h VAL 858 Ca -0.00 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.38 2ayx h VAL 858 Cb 0.76 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2ayx h VAL 858 CO 0.03 0.63 0.22 -0.78 0.02 0.00 0.00 177.57 177.70 2ayx h ASP 859 N 0.23 0.58 -0.56 0.57 3.58 -1.95 0.24 116.42 119.11 2ayx h ASP 859 Ca -0.02 -0.05 -0.10 0.00 0.42 0.00 0.00 57.03 57.28 2ayx h ASP 859 Cb 1.25 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2ayx h ASP 859 CO 0.12 0.50 -0.02 0.00 -2.88 0.00 0.00 179.24 176.95 2ayx h ALA 860 N 1.59 0.86 -0.50 -0.78 0.00 -1.10 0.59 119.26 119.91 2ayx h ALA 860 Ca 0.17 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 2ayx h ALA 860 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2ayx h ALA 860 CO -0.02 0.66 -0.10 -0.07 0.00 0.00 0.00 179.25 179.72 2ayx h LEU 861 N 0.94 0.96 -0.35 0.00 3.38 -1.12 -1.07 115.31 118.04 2ayx h LEU 861 Ca 0.16 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2ayx h LEU 861 Cb 0.57 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2ayx h LEU 861 CO 0.03 1.08 0.15 -1.13 0.09 0.00 0.00 178.44 178.66 2ayx h ASN 862 N 0.81 0.48 0.13 -0.43 -1.24 -0.74 -2.21 115.58 112.38 2ayx h ASN 862 Ca 0.13 -0.16 -0.07 0.00 0.71 0.00 0.00 56.30 56.91 2ayx h ASN 862 Cb 0.65 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 2ayx h ASN 862 CO 0.04 0.50 -0.26 1.62 -1.29 0.00 0.00 177.43 178.05 2ayx h VAL 863 N 0.42 1.24 -0.49 2.57 3.04 -0.80 -0.74 116.25 121.49 2ayx h VAL 863 Ca 0.12 -1.11 -0.03 0.00 -1.01 0.00 0.00 66.70 64.67 2ayx h VAL 863 Cb 0.17 1.43 -0.02 0.00 -2.01 0.00 0.00 31.29 30.86 2ayx h VAL 863 CO -0.01 0.33 0.17 0.25 -1.01 0.00 0.00 177.57 177.30 2ayx h LEU 864 N 0.20 0.64 -0.19 3.16 7.12 -0.84 0.25 115.31 125.65 2ayx h LEU 864 Ca 0.03 -0.08 -0.22 0.00 0.13 0.00 0.00 57.88 57.73 2ayx h LEU 864 Cb 0.57 -0.17 0.01 0.00 -0.53 0.00 0.00 40.66 40.54 2ayx h LEU 864 CO 0.04 0.60 -0.85 0.28 -0.13 0.00 0.00 178.44 178.38 2ayx h SER 865 N 0.70 0.75 0.31 1.25 0.02 -0.71 -3.33 113.55 112.53 2ayx h SER 865 Ca 0.17 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.57 2ayx h SER 865 Cb 0.18 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2ayx h SER 865 CO -0.01 1.32 -0.15 0.50 -1.14 0.00 0.00 176.83 177.35 2ayx h LYS 866 N 0.39 -0.40 -3.43 3.45 1.63 -0.68 -3.45 116.57 114.08 2ayx h LYS 866 Ca -0.07 0.03 -0.18 0.00 -0.85 0.00 0.00 60.65 59.58 2ayx h LYS 866 Cb 1.47 0.09 -0.25 0.00 -0.60 0.00 0.00 32.23 32.95 2ayx h LYS 866 CO 0.16 -0.12 -0.53 0.54 -3.45 0.00 0.00 179.45 176.05 2ayx s ASN 867 N -5.02 -0.09 0.30 4.20 6.03 0.03 -5.10 114.94 115.30 2ayx s ASN 867 Ca -0.15 0.13 -0.29 0.00 -1.03 0.00 0.00 52.86 51.52 2ayx s ASN 867 Cb 0.03 0.27 -0.10 0.00 -3.03 0.00 0.00 41.25 38.42 2ayx s ASN 867 CO 0.58 -0.15 1.12 -1.00 -2.03 0.00 0.00 177.10 175.62 2ayx s HIS 868 N -0.39 3.49 -0.07 1.54 3.76 -1.26 -4.17 115.29 118.19 2ayx s HIS 868 Ca -0.05 1.66 0.05 0.00 -0.15 0.00 0.00 55.06 56.58 2ayx s HIS 868 Cb -0.03 -3.32 -0.01 0.00 1.11 0.00 0.00 32.58 30.33 2ayx s HIS 868 CO 0.01 -0.71 -0.24 0.42 -0.85 0.00 0.00 174.74 173.37 2ayx s ILE 869 N -1.20 2.00 -0.07 0.60 1.09 -1.26 -4.88 121.20 117.48 2ayx s ILE 869 Ca 0.46 -1.02 -0.18 0.00 -1.10 0.00 0.00 60.65 58.81 2ayx s ILE 869 Cb -0.32 -1.70 -0.13 0.00 -1.06 0.00 0.00 42.46 39.24 2ayx s ILE 869 CO 0.41 0.55 0.68 0.44 -0.10 0.00 0.00 174.94 176.93 2ayx h ASP 870 N 6.23 -0.16 -3.19 3.58 3.32 -1.77 -3.44 116.42 120.99 2ayx h ASP 870 Ca -0.29 -0.33 -0.67 0.00 0.02 0.00 0.00 57.03 55.76 2ayx h ASP 870 Cb 1.19 0.04 -0.32 0.00 0.22 0.00 0.00 39.33 40.46 2ayx h ASP 870 CO 0.47 0.42 -0.81 -0.63 -1.72 0.00 0.00 179.24 176.97 2ayx s ILE 871 N -2.94 2.52 -0.21 0.35 -1.09 -1.13 -4.24 121.20 114.46 2ayx s ILE 871 Ca -0.11 -0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 57.46 2ayx s ILE 871 Cb -0.00 -2.09 -0.03 0.00 -1.58 0.00 0.00 42.46 38.76 2ayx s ILE 871 CO 0.39 0.50 0.05 -0.69 -1.23 0.00 0.00 174.94 173.96 2ayx s VAL 872 N 1.27 4.40 -0.34 2.92 1.01 -1.07 -2.15 120.40 126.45 2ayx s VAL 872 Ca 0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.81 2ayx s VAL 872 Cb -0.14 -3.01 0.05 0.00 0.00 0.00 0.00 36.38 33.29 2ayx s VAL 872 CO -0.08 0.41 0.10 -0.76 0.00 0.00 0.00 175.10 174.77 2ayx s LEU 873 N 0.92 4.35 -0.69 3.92 1.43 0.02 -0.60 118.68 128.03 2ayx s LEU 873 Ca 0.03 -1.27 -0.18 0.00 -1.03 0.00 0.00 54.13 51.67 2ayx s LEU 873 Cb -0.14 -1.83 0.13 0.00 0.03 0.00 0.00 46.19 44.37 2ayx s LEU 873 CO 0.02 -0.34 0.80 -0.44 0.23 0.00 0.00 176.35 176.62 2ayx s SER 874 N 1.46 6.35 -0.53 2.29 0.01 -0.06 -0.87 113.70 122.34 2ayx s SER 874 Ca -0.01 -1.72 -0.20 0.00 1.31 0.00 0.00 55.95 55.33 2ayx s SER 874 Cb -0.20 -2.31 0.06 0.00 0.21 0.00 0.00 66.02 63.78 2ayx s SER 874 CO 0.01 -1.04 0.69 -1.81 0.41 0.00 0.00 173.24 171.51 2ayx s ASP 875 N 3.41 6.23 -0.78 2.44 1.11 0.10 -1.83 116.67 127.34 2ayx s ASP 875 Ca 0.17 -0.93 -0.09 0.00 0.18 0.00 0.00 52.55 51.87 2ayx s ASP 875 Cb -0.18 -2.32 0.20 0.00 1.07 0.00 0.00 42.92 41.69 2ayx s ASP 875 CO 0.01 -0.99 0.68 -0.69 1.18 0.00 0.00 175.17 175.36 2ayx s VAL 876 N 2.87 4.95 0.10 -1.27 1.01 -0.06 -2.55 120.40 125.45 2ayx s VAL 876 Ca 0.17 -2.77 -0.16 0.00 0.00 0.00 0.00 61.98 59.22 2ayx s VAL 876 Cb -0.19 -4.09 -0.07 0.00 0.00 0.00 0.00 36.38 32.02 2ayx s VAL 876 CO 0.12 -0.99 1.46 -1.13 0.00 0.00 0.00 175.10 174.56 2ayx h ASN 877 N 7.37 0.68 -4.88 3.32 -1.24 -1.92 -0.38 115.58 118.53 2ayx h ASN 877 Ca 0.08 -0.42 -0.09 0.00 0.71 0.00 0.00 56.30 56.58 2ayx h ASN 877 Cb 0.99 -0.19 -0.20 0.00 0.73 0.00 0.00 38.32 39.65 2ayx h ASN 877 CO 0.76 0.94 -0.07 0.00 -1.29 0.00 0.00 177.43 177.77 2ayx s MET 878 N -4.57 0.82 -1.03 6.67 0.23 -1.26 -4.39 119.30 115.76 2ayx s MET 878 Ca -0.13 0.09 -0.07 0.00 -1.03 0.00 0.00 55.69 54.55 2ayx s MET 878 Cb 0.09 0.38 -0.09 0.00 -1.53 0.00 0.00 34.83 33.68 2ayx s MET 878 CO 0.81 -0.23 2.54 -2.30 -2.03 0.00 0.00 175.02 173.80 2ayx n PRO 879 N 1.29 2.58 0.10 3.16 -0.02 -1.26 -4.56 135.00 136.28 2ayx n PRO 879 Ca -0.20 -1.61 -0.09 0.00 -2.02 0.00 0.00 63.50 59.58 2ayx n PRO 879 Cb 0.56 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 2ayx n PRO 879 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2ayx h ASN 880 N 5.43 -0.28 0.02 2.55 -1.24 -1.97 -3.40 115.58 116.69 2ayx h ASN 880 Ca 0.58 -0.18 -0.00 0.00 0.71 0.00 0.00 56.30 57.41 2ayx h ASN 880 Cb 0.36 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.48 2ayx h ASN 880 CO 1.39 0.22 -0.01 0.24 -1.29 0.00 0.00 177.43 177.98 2ayx h MET 881 N -0.99 -0.02 -1.85 6.67 2.86 -1.96 -3.49 114.93 116.15 2ayx h MET 881 Ca -0.03 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2ayx h MET 881 Cb 0.45 0.01 -0.20 0.00 0.06 0.00 0.00 31.60 31.91 2ayx h MET 881 CO 0.06 0.02 0.44 0.34 1.06 0.00 0.00 176.91 178.83 2ayx s ASP 882 N -5.54 -0.44 0.00 1.22 2.15 -1.26 -5.05 116.67 107.74 2ayx s ASP 882 Ca -0.01 0.39 0.04 0.00 0.43 0.00 0.00 52.55 53.39 2ayx s ASP 882 Cb -0.00 0.38 0.06 0.00 -0.30 0.00 0.00 42.92 43.07 2ayx s ASP 882 CO 0.04 -0.48 0.86 0.61 -0.17 0.00 0.00 175.17 176.02 2ayx n GLY 883 N 0.55 0.74 0.00 2.66 0.00 -1.26 -4.83 105.19 103.05 2ayx n GLY 883 Ca -0.12 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.77 2ayx n GLY 883 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2ayx n TYR 884 N 0.07 0.00 -0.06 1.61 0.18 -1.26 -4.88 117.16 112.82 2ayx n TYR 884 Ca -0.03 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.63 2ayx n TYR 884 Cb 0.70 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.60 2ayx n TYR 884 CO 0.00 0.00 0.00 -0.09 -2.08 0.00 0.00 176.86 174.69 2ayx h ARG 885 N 0.00 0.38 -0.22 -3.48 1.12 -1.99 -2.06 114.38 108.13 2ayx h ARG 885 Ca 0.00 -0.17 0.04 0.00 -1.11 0.00 0.00 59.98 58.75 2ayx h ARG 885 Cb 0.00 -0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.91 2ayx h ARG 885 CO 0.00 0.68 -0.04 1.25 -3.11 0.00 0.00 179.97 178.76 2ayx h LEU 886 N 0.06 -0.16 -0.52 3.80 7.12 -1.92 0.32 115.31 124.01 2ayx h LEU 886 Ca 0.04 0.06 0.03 0.00 0.13 0.00 0.00 57.88 58.14 2ayx h LEU 886 Cb 0.57 0.12 -0.04 0.00 -0.53 0.00 0.00 40.66 40.79 2ayx h LEU 886 CO 0.03 -0.05 0.29 0.74 -0.13 0.00 0.00 178.44 179.32 2ayx h THR 887 N 0.02 1.01 -0.00 1.05 2.02 -1.87 0.28 112.91 115.42 2ayx h THR 887 Ca 0.11 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.09 2ayx h THR 887 Cb 0.15 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.95 2ayx h THR 887 CO -0.21 0.11 0.00 1.56 0.37 0.00 0.00 175.52 177.34 2ayx h GLN 888 N 0.58 0.00 -0.66 6.66 4.20 -1.08 -2.82 115.11 121.98 2ayx h GLN 888 Ca 0.22 -0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 2ayx h GLN 888 Cb 0.07 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2ayx h GLN 888 CO -0.12 0.23 0.20 -0.09 -0.67 0.00 0.00 178.83 178.38 2ayx h ARG 889 N -0.23 1.03 -0.45 1.46 9.65 -0.63 -0.70 114.38 124.51 2ayx h ARG 889 Ca 0.00 -0.23 -0.13 0.00 -1.10 0.00 0.00 59.98 58.52 2ayx h ARG 889 Cb 0.23 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 2ayx h ARG 889 CO 0.00 0.91 -0.24 0.97 2.80 0.00 0.00 179.97 184.41 2ayx h ILE 890 N 0.96 1.27 0.00 1.20 2.10 -0.98 -0.06 117.51 122.01 2ayx h ILE 890 Ca 0.21 -1.40 -0.07 0.00 1.08 0.00 0.00 64.86 64.68 2ayx h ILE 890 Cb 0.31 1.20 -0.01 0.00 -1.09 0.00 0.00 36.82 37.23 2ayx h ILE 890 CO -0.00 0.48 -0.34 0.08 -1.08 0.00 0.00 178.15 177.29 2ayx h ARG 891 N 0.80 0.00 0.16 2.19 0.11 -1.38 -2.15 114.38 114.12 2ayx h ARG 891 Ca 0.10 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.17 2ayx h ARG 891 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 2ayx h ARG 891 CO 0.07 0.34 -0.08 0.37 0.10 0.00 0.00 179.97 180.77 2ayx h GLN 892 N 0.00 -0.21 0.06 0.08 4.15 -0.79 -3.38 115.11 115.02 2ayx h GLN 892 Ca -0.00 0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2ayx h GLN 892 Cb 1.02 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.76 2ayx h GLN 892 CO 0.04 0.21 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.06 2ayx h LEU 893 N -0.89 -0.06 0.00 -2.39 -0.00 -1.06 -3.46 115.31 107.45 2ayx h LEU 893 Ca -0.02 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 2ayx h LEU 893 Cb 0.52 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.19 2ayx h LEU 893 CO 0.04 0.30 0.00 0.61 -0.00 0.00 0.00 178.44 179.39 2ayx n GLY 894 N -0.14 -1.60 3.52 0.83 0.00 -0.93 -5.11 105.19 101.76 2ayx n GLY 894 Ca -0.08 0.84 -0.43 0.00 0.00 0.00 0.00 46.02 46.35 2ayx n GLY 894 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ayx s LEU 895 N 0.00 4.38 0.00 0.99 2.96 -0.85 -4.82 118.68 121.35 2ayx s LEU 895 Ca 0.00 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.63 2ayx s LEU 895 Cb 0.00 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.86 2ayx s LEU 895 CO 0.00 -0.89 0.61 0.41 -1.32 0.00 0.00 176.35 175.16 2ayx n THR 896 N 6.00 0.37 -4.95 3.68 -1.04 -1.26 -5.02 114.28 112.07 2ayx n THR 896 Ca 0.00 -0.48 -0.27 0.00 -2.04 0.00 0.00 64.05 61.26 2ayx n THR 896 Cb 0.48 0.97 -0.15 0.00 -1.82 0.00 0.00 70.33 69.80 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2ayx s LEU 897 N -0.37 2.07 -0.12 -4.42 2.34 -1.26 -5.09 118.68 111.83 2ayx s LEU 897 Ca 0.00 -0.42 -0.29 0.00 0.06 0.00 0.00 54.13 53.48 2ayx s LEU 897 Cb 0.00 -1.07 -0.06 0.00 -0.56 0.00 0.00 46.19 44.50 2ayx s LEU 897 CO 0.00 0.24 2.02 -2.16 -1.06 0.00 0.00 176.35 175.39 2ayx s PRO 898 N -0.67 3.63 -0.37 1.48 0.04 -1.26 -4.92 135.00 132.93 2ayx s PRO 898 Ca 0.08 2.19 -0.15 0.00 0.04 0.00 0.00 61.00 63.16 2ayx s PRO 898 Cb -0.08 -4.24 -0.00 0.00 0.04 0.00 0.00 34.50 30.22 2ayx s PRO 898 CO -0.00 -1.53 0.32 0.08 0.04 0.00 0.00 177.00 175.90 2ayx s VAL 899 N 6.32 5.21 -0.41 -0.36 1.01 -1.08 -2.58 120.40 128.52 2ayx s VAL 899 Ca 0.91 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.39 2ayx s VAL 899 Cb -0.35 -3.84 0.02 0.00 0.00 0.00 0.00 36.38 32.20 2ayx s VAL 899 CO 0.37 -0.16 0.88 -0.63 0.00 0.00 0.00 175.10 175.55 2ayx s ILE 900 N 1.87 4.59 -0.56 2.22 1.09 0.23 -1.17 121.20 129.46 2ayx s ILE 900 Ca 0.08 0.89 -0.22 0.00 -1.10 0.00 0.00 60.65 60.31 2ayx s ILE 900 Cb -0.17 -4.34 0.06 0.00 -1.06 0.00 0.00 42.46 36.95 2ayx s ILE 900 CO 0.11 -0.63 0.82 -0.83 -0.10 0.00 0.00 174.94 174.31 2ayx s GLY 901 N 2.03 1.55 -0.40 6.18 0.00 -0.10 -0.88 107.32 115.69 2ayx s GLY 901 Ca 0.35 -1.58 -0.05 0.00 0.00 0.00 0.00 44.72 43.44 2ayx s GLY 901 CO 0.21 1.82 0.20 0.54 0.00 0.00 0.00 173.10 175.88 2ayx s VAL 902 N 3.44 3.65 0.08 1.40 0.11 -0.76 -0.81 120.40 127.49 2ayx s VAL 902 Ca 0.22 -1.69 0.04 0.00 -2.93 0.00 0.00 61.98 57.63 2ayx s VAL 902 Cb -0.16 -3.33 -0.04 0.00 -1.53 0.00 0.00 36.38 31.32 2ayx s VAL 902 CO 0.14 -0.54 -0.00 -0.89 -3.33 0.00 0.00 175.10 170.48 2ayx s THR 903 N 1.28 4.04 -0.08 5.04 2.01 -0.78 -0.88 115.64 126.27 2ayx s THR 903 Ca 0.04 -0.93 -0.14 0.00 0.31 0.00 0.00 61.69 60.97 2ayx s THR 903 Cb -0.23 -2.90 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 2ayx s THR 903 CO -0.01 0.16 0.35 0.00 -0.69 0.00 0.00 174.62 174.43 2ayx s ALA 904 N -1.27 3.66 0.00 7.40 0.00 -0.15 -0.38 121.76 131.01 2ayx s ALA 904 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2ayx s ALA 904 Cb -0.12 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.63 2ayx s ALA 904 CO 0.17 0.33 0.00 -1.71 0.00 0.00 0.00 175.76 174.55 2ayx n ASN 905 N 2.58 -1.90 0.00 0.00 2.85 -1.26 -4.82 115.26 112.71 2ayx n ASN 905 Ca -0.13 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.34 2ayx n ASN 905 Cb 0.52 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.54 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayx n ALA 906 N 2.97 0.00 -0.82 5.20 0.00 -1.26 -4.92 120.51 121.69 2ayx n ALA 906 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2ayx n ALA 906 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2ayx n ALA 906 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ayx n LEU 907 N 0.00 -0.44 -1.78 0.00 4.77 -1.26 -4.93 117.00 113.37 2ayx n LEU 907 Ca 0.00 0.97 -0.15 0.00 -0.03 0.00 0.00 56.01 56.80 2ayx n LEU 907 Cb 0.00 -2.53 -0.00 0.00 -2.33 0.00 0.00 43.42 38.55 2ayx n LEU 907 CO 0.00 -2.03 -0.18 0.00 -1.33 0.00 0.00 177.39 173.85 2ayx n ALA 908 N -2.18 -0.47 0.31 -1.18 0.00 -1.26 -4.89 120.51 110.84 2ayx n ALA 908 Ca -0.00 0.13 0.16 0.00 0.00 0.00 0.00 53.44 53.73 2ayx n ALA 908 Cb 0.38 -1.83 0.71 0.00 0.00 0.00 0.00 19.45 18.71 2ayx n ALA 908 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ayx h GLU 909 N -0.07 0.00 -0.50 0.00 4.39 -1.95 -1.78 114.58 114.67 2ayx h GLU 909 Ca -0.36 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.26 2ayx h GLU 909 Cb 1.27 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.90 2ayx h GLU 909 CO 0.43 0.00 0.01 1.05 -1.16 0.00 0.00 179.01 179.33 2ayx h GLU 910 N 0.00 0.87 -0.07 2.33 4.11 -1.91 0.81 114.58 120.73 2ayx h GLU 910 Ca 0.00 -0.27 -0.17 0.00 0.07 0.00 0.00 59.36 58.98 2ayx h GLU 910 Cb 0.34 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2ayx h GLU 910 CO 0.00 0.90 -0.71 -0.22 0.07 0.00 0.00 179.01 179.06 2ayx h LYS 911 N 0.73 0.33 -0.42 1.06 3.64 -1.74 -2.63 116.57 117.55 2ayx h LYS 911 Ca 0.14 -0.26 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2ayx h LYS 911 Cb 0.51 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 2ayx h LYS 911 CO 0.02 0.91 0.01 1.96 -2.27 0.00 0.00 179.45 180.08 2ayx h GLN 912 N 0.23 0.73 -0.46 1.90 1.08 -1.27 0.02 115.11 117.33 2ayx h GLN 912 Ca -0.02 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 56.91 2ayx h GLN 912 Cb 1.27 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 2ayx h GLN 912 CO 0.12 0.80 0.12 -0.09 -0.95 0.00 0.00 178.83 178.83 2ayx h ARG 913 N 0.56 0.69 -0.19 1.46 1.12 -0.79 -0.50 114.38 116.74 2ayx h ARG 913 Ca 0.12 -0.12 -0.18 0.00 -1.11 0.00 0.00 59.98 58.69 2ayx h ARG 913 Cb 0.47 -0.11 -0.00 0.00 -0.01 0.00 0.00 29.97 30.32 2ayx h ARG 913 CO 0.02 0.62 -0.60 0.00 -3.11 0.00 0.00 179.97 176.90 2ayx h LEU 915 N 0.47 -0.18 -0.14 0.00 6.46 -0.17 -3.16 115.31 118.59 2ayx h LEU 915 Ca -0.00 -0.10 -0.22 0.00 -0.12 0.00 0.00 57.88 57.44 2ayx h LEU 915 Cb 1.17 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 2ayx h LEU 915 CO 0.12 -0.01 -0.98 -0.33 -0.62 0.00 0.00 178.44 176.62 2ayx h GLU 916 N -0.34 0.19 -6.30 1.25 4.39 -1.19 -3.48 114.58 109.10 2ayx h GLU 916 Ca -0.02 -0.25 -0.46 0.00 0.34 0.00 0.00 59.36 58.97 2ayx h GLU 916 Cb 0.27 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2ayx h GLU 916 CO 0.04 1.03 -0.85 0.43 -1.16 0.00 0.00 179.01 178.49 2ayx n SER 917 N -3.59 -1.15 -1.00 1.42 7.64 -0.02 -4.84 113.62 112.08 2ayx n SER 917 Ca -0.04 -0.90 0.02 0.00 1.01 0.00 0.00 58.87 58.95 2ayx n SER 917 Cb 0.88 -3.57 0.01 0.00 -1.01 0.00 0.00 64.21 60.52 2ayx n SER 917 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 918 N -1.75 0.75 0.00 0.23 0.00 -1.26 -4.80 105.19 98.36 2ayx n GLY 918 Ca -0.26 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2ayx n GLY 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ayx n MET 919 N 0.25 0.00 0.00 1.61 2.81 -1.26 -4.73 117.12 115.80 2ayx n MET 919 Ca 0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2ayx n MET 919 Cb 0.92 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.43 2ayx n MET 919 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2ayx n ASP 920 N 0.00 0.00 -4.55 7.83 2.03 -0.32 -2.63 116.55 118.91 2ayx n ASP 920 Ca 0.00 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.05 2ayx n ASP 920 Cb 0.00 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.29 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ayx s SER 921 N 0.00 3.29 -0.08 1.67 1.04 -1.02 -4.99 113.70 113.61 2ayx s SER 921 Ca 0.00 -1.38 -0.04 0.00 0.48 0.00 0.00 55.95 55.02 2ayx s SER 921 Cb 0.00 -0.27 0.04 0.00 0.10 0.00 0.00 66.02 65.89 2ayx s SER 921 CO 0.00 -0.52 0.18 0.00 0.98 0.00 0.00 173.24 173.89 2ayx s LEU 923 N 1.17 1.79 0.25 0.00 1.43 0.01 -4.92 118.68 118.40 2ayx s LEU 923 Ca -0.09 -1.22 -0.15 0.00 -1.03 0.00 0.00 54.13 51.64 2ayx s LEU 923 Cb -0.11 0.24 -0.08 0.00 0.03 0.00 0.00 46.19 46.27 2ayx s LEU 923 CO -0.07 -0.71 0.67 -0.44 0.23 0.00 0.00 176.35 176.03 2ayx s SER 924 N -3.08 6.82 0.35 2.29 0.01 -1.26 -1.86 113.70 116.97 2ayx s SER 924 Ca 0.25 1.21 0.14 0.00 1.31 0.00 0.00 55.95 58.87 2ayx s SER 924 Cb 0.07 -2.34 1.01 0.00 0.21 0.00 0.00 66.02 64.97 2ayx s SER 924 CO 0.03 -0.08 1.72 0.50 0.41 0.00 0.00 173.24 175.83 2ayx h LYS 925 N 2.79 0.44 -5.05 12.44 1.63 -0.97 -3.31 116.57 124.54 2ayx h LYS 925 Ca -0.48 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.15 2ayx h LYS 925 Cb 1.18 -0.10 0.04 0.00 -0.60 0.00 0.00 32.23 32.75 2ayx h LYS 925 CO 0.66 0.29 0.41 -2.30 -3.45 0.00 0.00 179.45 175.06 2ayx n PRO 926 N -4.84 0.06 -3.58 1.90 -0.02 -1.26 -4.84 135.00 122.42 2ayx n PRO 926 Ca 0.28 -1.42 -0.40 0.00 -2.02 0.00 0.00 63.50 59.94 2ayx n PRO 926 Cb 0.87 -3.39 -0.08 0.00 -0.02 0.00 0.00 33.50 30.87 2ayx n PRO 926 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ayx s VAL 927 N 13.77 4.18 0.98 -1.45 1.01 -1.25 -5.07 120.40 132.58 2ayx s VAL 927 Ca 0.73 -2.12 -0.13 0.00 0.00 0.00 0.00 61.98 60.47 2ayx s VAL 927 Cb 0.00 -3.74 0.18 0.00 0.00 0.00 0.00 36.38 32.83 2ayx s VAL 927 CO 0.22 -0.82 1.11 -0.89 0.00 0.00 0.00 175.10 174.72 2ayx s THR 928 N 0.93 1.99 0.22 3.92 2.01 -1.26 -4.66 115.64 118.79 2ayx s THR 928 Ca 0.10 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 2ayx s THR 928 Cb -0.23 -2.59 0.17 0.00 0.01 0.00 0.00 72.50 69.86 2ayx s THR 928 CO -0.03 0.00 1.72 0.25 -0.69 0.00 0.00 174.62 175.88 2ayx h LEU 929 N -1.79 0.14 -0.78 4.42 7.12 -1.98 -0.04 115.31 122.40 2ayx h LEU 929 Ca -0.53 0.10 -0.13 0.00 0.13 0.00 0.00 57.88 57.46 2ayx h LEU 929 Cb 1.33 0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.56 2ayx h LEU 929 CO 0.59 0.07 -0.46 -0.78 -0.13 0.00 0.00 178.44 177.73 2ayx h ASP 930 N 0.35 0.36 0.15 1.25 1.82 -1.98 -1.30 116.42 117.07 2ayx h ASP 930 Ca 0.34 -0.17 -0.01 0.00 -0.39 0.00 0.00 57.03 56.80 2ayx h ASP 930 Cb 0.48 -0.10 0.00 0.00 0.68 0.00 0.00 39.33 40.39 2ayx h ASP 930 CO -0.38 0.78 -0.07 0.58 -1.61 0.00 0.00 179.24 178.54 2ayx h VAL 931 N 0.28 0.99 -0.44 2.25 2.07 -1.53 0.25 116.25 120.12 2ayx h VAL 931 Ca 0.02 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2ayx h VAL 931 Cb 0.92 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 2ayx h VAL 931 CO 0.08 0.16 -0.02 -0.29 0.02 0.00 0.00 177.57 177.51 2ayx h ILE 932 N -0.52 1.24 -0.12 4.57 2.10 -1.04 -1.18 117.51 122.56 2ayx h ILE 932 Ca -0.02 -0.99 -0.03 0.00 1.08 0.00 0.00 64.86 64.90 2ayx h ILE 932 Cb 0.41 0.93 -0.00 0.00 -1.09 0.00 0.00 36.82 37.06 2ayx h ILE 932 CO 0.03 0.34 -0.05 0.50 -1.08 0.00 0.00 178.15 177.89 2ayx h LYS 933 N 0.68 0.24 -0.31 2.19 3.64 -1.18 -1.61 116.57 120.21 2ayx h LYS 933 Ca 0.13 -0.10 -0.12 0.00 -1.27 0.00 0.00 60.65 59.29 2ayx h LYS 933 Cb 0.45 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2ayx h LYS 933 CO 0.02 0.58 -0.30 -0.56 -2.27 0.00 0.00 179.45 176.92 2ayx h GLN 934 N -0.10 0.65 -0.33 1.90 -0.00 -0.81 -0.41 115.11 116.01 2ayx h GLN 934 Ca 0.03 -0.29 -0.07 0.00 -0.00 0.00 0.00 58.65 58.32 2ayx h GLN 934 Cb 0.50 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 27.95 2ayx h GLN 934 CO 0.02 0.87 -0.07 1.15 -0.00 0.00 0.00 178.83 180.80 2ayx h THR 935 N 0.56 1.28 -0.20 1.86 2.02 -1.22 0.28 112.91 117.50 2ayx h THR 935 Ca 0.07 -1.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 2ayx h THR 935 Cb 0.79 1.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 2ayx h THR 935 CO 0.06 0.37 0.07 -0.07 0.37 0.00 0.00 175.52 176.32 2ayx h LEU 936 N 0.42 0.28 -0.65 2.58 -0.00 -1.14 -1.63 115.31 115.17 2ayx h LEU 936 Ca 0.08 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.88 57.75 2ayx h LEU 936 Cb 0.57 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 2ayx h LEU 936 CO 0.03 0.38 0.28 0.74 -0.00 0.00 0.00 178.44 179.87 2ayx h THR 937 N 0.16 1.23 -0.47 0.22 2.02 -1.03 0.11 112.91 115.14 2ayx h THR 937 Ca 0.06 -0.70 0.00 0.00 0.77 0.00 0.00 66.41 66.55 2ayx h THR 937 Cb 0.19 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 2ayx h THR 937 CO -0.00 0.28 0.30 0.25 0.37 0.00 0.00 175.52 176.71 2ayx h LEU 938 N 0.91 0.55 -0.16 2.58 6.46 -0.79 -2.11 115.31 122.75 2ayx h LEU 938 Ca 0.22 -0.03 -0.14 0.00 -0.12 0.00 0.00 57.88 57.80 2ayx h LEU 938 Cb 0.17 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 2ayx h LEU 938 CO -0.02 0.42 -0.68 1.88 -0.62 0.00 0.00 178.44 179.41 2ayx h TYR 939 N 0.63 0.00 -0.47 1.25 -1.99 -1.06 -0.13 116.97 115.19 2ayx h TYR 939 Ca 0.17 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.86 2ayx h TYR 939 Cb -0.04 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.67 2ayx h TYR 939 CO -0.04 0.68 0.13 0.00 -0.00 0.00 0.00 178.16 178.94 2ayx h ALA 940 N 1.32 0.62 0.00 3.88 0.00 -0.79 0.04 119.26 124.33 2ayx h ALA 940 Ca -0.01 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 2ayx h ALA 940 Cb 1.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2ayx h ALA 940 CO 0.09 0.29 -0.66 1.05 0.00 0.00 0.00 179.25 180.02 2ayx h GLU 941 N 0.63 0.00 -0.19 0.00 -0.00 -1.31 -2.76 114.58 110.96 2ayx h GLU 941 Ca 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.48 2ayx h GLU 941 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.04 2ayx h GLU 941 CO -0.00 0.66 0.01 -0.09 -0.00 0.00 0.00 179.01 179.59 2ayx h ARG 942 N 0.00 0.32 0.00 1.06 2.43 -0.63 -1.16 114.38 116.40 2ayx h ARG 942 Ca -0.01 -0.10 -0.08 0.00 -0.81 0.00 0.00 59.98 58.98 2ayx h ARG 942 Cb 1.19 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.70 2ayx h ARG 942 CO 0.09 0.51 -0.40 -0.39 -1.51 0.00 0.00 179.97 178.27 2ayx h VAL 943 N 0.09 1.27 -0.08 0.20 -1.51 -1.02 -1.38 116.25 113.82 2ayx h VAL 943 Ca 0.05 -1.38 -0.08 0.00 -1.23 0.00 0.00 66.70 64.06 2ayx h VAL 943 Cb 0.36 1.75 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2ayx h VAL 943 CO 0.01 0.39 -0.34 -0.09 -1.23 0.00 0.00 177.57 176.31 2ayx h ARG 944 N 0.00 0.15 -0.24 5.19 2.43 -1.25 0.36 114.38 121.03 2ayx h ARG 944 Ca -0.00 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 2ayx h ARG 944 Cb 0.72 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2ayx h ARG 944 CO 0.05 0.47 -0.45 0.87 -1.51 0.00 0.00 179.97 179.40 2ayx h LYS 945 N 0.13 0.60 0.10 0.20 1.79 -0.12 -1.59 116.57 117.67 2ayx h LYS 945 Ca 0.02 -0.33 -0.23 0.00 -2.18 0.00 0.00 60.65 57.93 2ayx h LYS 945 Cb 0.66 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2ayx h LYS 945 CO 0.05 0.93 -1.17 0.66 -1.08 0.00 0.00 179.45 178.83 2ayx h SER 946 N 0.48 0.32 0.08 0.86 4.64 -1.24 -3.40 113.55 115.29 2ayx h SER 946 Ca 0.03 -0.84 -0.00 0.00 -0.47 0.00 0.00 61.79 60.50 2ayx h SER 946 Cb 0.97 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2ayx h SER 946 CO 0.09 1.51 -0.04 0.03 -0.87 0.00 0.00 176.83 177.55 2ayx h ARG 947 N -0.46 -0.10 0.00 4.77 2.47 -1.03 -3.47 114.38 116.55 2ayx h ARG 947 Ca -0.26 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 2ayx h ARG 947 Cb 1.62 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.96 2ayx h ARG 947 CO 0.04 0.44 0.00 -3.47 0.56 0.00 0.00 179.97 177.54 2ayx n ASP 948 N -4.83 0.00 0.00 7.04 -0.08 -0.60 -5.07 116.55 113.00 2ayx n ASP 948 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 2ayx n ASP 948 Cb 0.30 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.76 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12