#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 1.11 3.58 -5.12 0.00 -1.26 -5.17 105.19 98.33 2ayx n GLY 697 Ca 0.00 0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.80 2ayx n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ayx s GLY 698 N 0.00 1.75 -0.12 -0.02 0.00 -1.26 -5.12 107.32 102.55 2ayx s GLY 698 Ca 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.33 2ayx s GLY 698 CO 0.00 -1.36 -0.01 -0.56 0.00 0.00 0.00 173.10 171.17 2ayx s SER 699 N -2.55 5.08 0.03 1.64 0.01 -1.26 -5.11 113.70 111.53 2ayx s SER 699 Ca 0.23 0.03 0.03 0.00 1.31 0.00 0.00 55.95 57.55 2ayx s SER 699 Cb -0.10 -1.61 -0.02 0.00 0.21 0.00 0.00 66.02 64.50 2ayx s SER 699 CO 0.15 0.28 -0.09 -0.83 0.41 0.00 0.00 173.24 173.16 2ayx s GLY 700 N -0.29 0.50 -0.50 3.44 0.00 -1.26 -4.94 107.32 104.27 2ayx s GLY 700 Ca 0.06 -0.61 -0.13 0.00 0.00 0.00 0.00 44.72 44.04 2ayx s GLY 700 CO 0.02 -0.61 0.62 -0.62 0.00 0.00 0.00 173.10 172.51 2ayx n VAL 701 N 2.05-10.77 0.00 1.40 0.31 -1.26 -5.02 118.33 105.05 2ayx n VAL 701 Ca -0.18 0.63 0.00 0.00 -0.01 0.00 0.00 64.34 64.78 2ayx n VAL 701 Cb 0.56 -7.15 0.00 0.00 -0.91 0.00 0.00 33.84 26.34 2ayx n VAL 701 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ayx n GLU 702 N -0.63 0.00 0.00 5.55 4.71 -1.26 -5.02 120.64 123.99 2ayx n GLU 702 Ca 0.09 0.13 0.00 0.00 -0.01 0.00 0.00 57.16 57.37 2ayx n GLU 702 Cb 0.47 -0.62 0.00 0.00 -1.01 0.00 0.00 31.44 30.28 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ayx n GLY 703 N 2.36 0.30 3.03 0.62 0.00 -1.26 -4.93 105.19 105.30 2ayx n GLY 703 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.53 6.12 -2.93 0.99 4.77 -1.26 -4.59 117.00 119.56 2ayx n LEU 704 Ca 0.00 -4.02 -0.15 0.00 -0.03 0.00 0.00 56.01 51.81 2ayx n LEU 704 Cb 0.00 -1.68 -0.00 0.00 -2.33 0.00 0.00 43.42 39.41 2ayx n LEU 704 CO 0.00 0.72 -0.01 -1.54 -1.33 0.00 0.00 177.39 175.23 2ayx n SER 705 N 6.99 -1.67 0.00 -1.43 3.41 -1.17 -3.18 113.62 116.57 2ayx n SER 705 Ca 0.51 -3.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 2ayx n SER 705 Cb 0.41 0.82 0.00 0.00 -0.26 0.00 0.00 64.21 65.19 2ayx n SER 705 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ayx n GLY 706 N 1.61 1.97 3.90 5.00 0.00 0.39 -4.87 105.19 113.18 2ayx n GLY 706 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2ayx n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayx s LYS 707 N -0.00 2.75 -0.09 1.61 -0.14 -0.94 -4.88 119.74 118.05 2ayx s LYS 707 Ca 0.00 0.28 0.04 0.00 -1.36 0.00 0.00 55.97 54.93 2ayx s LYS 707 Cb 0.00 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.07 2ayx s LYS 707 CO 0.00 -1.02 -0.23 1.03 -0.76 0.00 0.00 175.35 174.37 2ayx s ARG 708 N -5.29 2.85 -0.26 1.68 0.52 -1.26 -0.65 118.95 116.54 2ayx s ARG 708 Ca 0.58 -0.83 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 2ayx s ARG 708 Cb -0.11 -2.18 0.05 0.00 0.52 0.00 0.00 34.95 33.23 2ayx s ARG 708 CO 0.50 0.18 -0.09 0.00 0.02 0.00 0.00 175.30 175.91 2ayx s TRP 710 N 1.19 3.19 -0.08 0.00 0.52 -0.32 -0.65 118.94 122.80 2ayx s TRP 710 Ca -0.05 -0.26 0.04 0.00 0.02 0.00 0.00 56.10 55.85 2ayx s TRP 710 Cb -0.19 -2.78 -0.00 0.00 -1.15 0.00 0.00 33.47 29.36 2ayx s TRP 710 CO -0.05 -0.59 -0.22 -0.48 0.02 0.00 0.00 176.95 175.64 2ayx s LEU 711 N 2.04 2.00 -0.50 2.99 2.34 -0.54 -0.65 118.68 126.37 2ayx s LEU 711 Ca 0.11 -0.49 0.07 0.00 0.06 0.00 0.00 54.13 53.88 2ayx s LEU 711 Cb -0.17 -1.27 0.36 0.00 -0.56 0.00 0.00 46.19 44.55 2ayx s LEU 711 CO 0.12 0.16 0.94 0.00 -1.06 0.00 0.00 176.35 176.51 2ayx n ALA 712 N 3.41 4.14 -2.86 1.48 0.00 0.04 -0.64 120.51 126.08 2ayx n ALA 712 Ca -0.19 -4.28 -0.36 0.00 0.00 0.00 0.00 53.44 48.61 2ayx n ALA 712 Cb 0.53 -0.75 -0.11 0.00 0.00 0.00 0.00 19.45 19.12 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 -4.18 4.71 0.01 0.00 1.01 -1.26 -1.13 120.40 119.55 2ayx s VAL 713 Ca 0.46 -0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.29 2ayx s VAL 713 Cb 0.33 -3.17 -0.32 0.00 0.00 0.00 0.00 36.38 33.23 2ayx s VAL 713 CO -0.13 0.39 0.88 0.03 0.00 0.00 0.00 175.10 176.27 2ayx h ARG 714 N 7.46 0.40 -5.93 2.72 3.08 -1.97 -3.43 114.38 116.71 2ayx h ARG 714 Ca -0.37 -0.68 -0.51 0.00 0.07 0.00 0.00 59.98 58.49 2ayx h ARG 714 Cb 1.17 0.25 -0.02 0.00 0.08 0.00 0.00 29.97 31.46 2ayx h ARG 714 CO 0.64 1.31 1.43 1.21 -1.07 0.00 0.00 179.97 183.49 2ayx s ASN 715 N -7.31 5.16 0.51 7.04 3.84 -1.26 -4.83 114.94 118.09 2ayx s ASN 715 Ca -0.11 0.87 0.24 0.00 0.21 0.00 0.00 52.86 54.08 2ayx s ASN 715 Cb 0.05 -2.52 1.39 0.00 -0.55 0.00 0.00 41.25 39.63 2ayx s ASN 715 CO 0.89 -2.37 2.08 0.00 -2.79 0.00 0.00 177.10 174.92 2ayx h ALA 716 N 15.94 1.44 -0.26 1.71 0.00 -1.98 0.41 119.26 136.52 2ayx h ALA 716 Ca -0.28 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.50 2ayx h ALA 716 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2ayx h ALA 716 CO 1.14 0.14 0.05 0.77 0.00 0.00 0.00 179.25 181.36 2ayx h SER 717 N 0.00 0.41 -0.08 0.00 0.02 -1.97 0.47 113.55 112.40 2ayx h SER 717 Ca -0.00 -0.25 -0.23 0.00 -0.84 0.00 0.00 61.79 60.46 2ayx h SER 717 Cb 0.27 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.71 2ayx h SER 717 CO 0.01 0.56 -0.85 0.25 -1.14 0.00 0.00 176.83 175.66 2ayx h LEU 718 N 0.25 0.91 0.14 5.07 6.46 -1.66 -2.45 115.31 124.03 2ayx h LEU 718 Ca 0.08 -0.63 -0.00 0.00 -0.12 0.00 0.00 57.88 57.21 2ayx h LEU 718 Cb 0.32 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.97 2ayx h LEU 718 CO 0.00 1.43 -0.08 0.00 -0.62 0.00 0.00 178.44 179.17 2ayx h GLN 720 N -0.21 0.42 0.17 0.00 7.50 -0.97 -0.53 115.11 121.49 2ayx h GLN 720 Ca -0.01 -0.11 0.01 0.00 0.50 0.00 0.00 58.65 59.04 2ayx h GLN 720 Cb 0.17 -0.05 -0.04 0.00 0.05 0.00 0.00 27.48 27.62 2ayx h GLN 720 CO 0.01 0.54 -0.33 0.35 -1.50 0.00 0.00 178.83 177.90 2ayx h PHE 721 N 0.39 -0.89 -0.07 2.96 3.04 -1.10 -0.31 116.94 120.96 2ayx h PHE 721 Ca 0.08 0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 2ayx h PHE 721 Cb 0.44 0.37 -0.00 0.00 2.56 0.00 0.00 35.95 39.31 2ayx h PHE 721 CO 0.01 -0.44 -0.03 -0.07 -2.02 0.00 0.00 178.31 175.76 2ayx h LEU 722 N -0.58 0.16 -0.78 0.59 -0.00 -1.21 -2.71 115.31 110.77 2ayx h LEU 722 Ca 0.02 -0.41 -0.00 0.00 -0.00 0.00 0.00 57.88 57.48 2ayx h LEU 722 Cb 0.59 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.17 2ayx h LEU 722 CO -0.16 0.53 0.48 1.05 -0.00 0.00 0.00 178.44 180.34 2ayx h GLU 723 N -0.22 1.06 -0.31 1.13 4.11 -1.04 0.07 114.58 119.38 2ayx h GLU 723 Ca 0.02 -0.09 -0.07 0.00 0.07 0.00 0.00 59.36 59.29 2ayx h GLU 723 Cb 0.47 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2ayx h GLU 723 CO 0.01 0.74 -0.07 1.15 0.07 0.00 0.00 179.01 180.91 2ayx h THR 724 N 1.07 1.28 -0.56 -1.06 2.02 -1.10 -0.77 112.91 113.79 2ayx h THR 724 Ca 0.28 -1.10 -0.10 0.00 0.77 0.00 0.00 66.41 66.25 2ayx h THR 724 Cb -0.05 1.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 2ayx h THR 724 CO -0.05 0.35 -0.05 0.28 0.37 0.00 0.00 175.52 176.42 2ayx h SER 725 N 0.36 1.01 -0.01 4.18 0.02 -1.13 -1.40 113.55 116.58 2ayx h SER 725 Ca 0.08 -0.31 -0.25 0.00 -0.84 0.00 0.00 61.79 60.48 2ayx h SER 725 Cb 0.55 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.84 2ayx h SER 725 CO 0.03 1.09 -0.93 -0.07 -1.14 0.00 0.00 176.83 175.80 2ayx h LEU 726 N 0.92 0.88 -1.04 5.07 3.38 -0.95 -3.16 115.31 120.40 2ayx h LEU 726 Ca 0.15 -0.65 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 2ayx h LEU 726 Cb 0.61 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2ayx h LEU 726 CO 0.04 1.45 -0.23 0.06 0.09 0.00 0.00 178.44 179.85 2ayx h GLN 727 N 0.43 0.00 0.00 1.13 -0.00 -1.07 -2.33 115.11 113.26 2ayx h GLN 727 Ca -0.10 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.54 2ayx h GLN 727 Cb 1.57 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 29.05 2ayx h GLN 727 CO 0.18 0.23 -0.08 0.07 -0.00 0.00 0.00 178.83 179.23 2ayx h ARG 728 N 0.00 0.00 0.00 0.06 0.11 -1.22 -3.35 114.38 109.99 2ayx h ARG 728 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2ayx h ARG 728 Cb 0.78 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.86 2ayx h ARG 728 CO 0.03 0.08 0.00 0.43 0.10 0.00 0.00 179.97 180.61 2ayx n SER 729 N -3.32 0.00 0.00 0.08 7.64 -0.90 -5.01 113.62 112.11 2ayx n SER 729 Ca -0.01 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2ayx n SER 729 Cb 0.26 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2ayx n SER 729 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 730 N 2.39 0.00 3.22 0.23 0.00 -1.12 -4.82 105.19 105.09 2ayx n GLY 730 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 2.19 -0.27 -0.61 1.01 -1.08 -0.46 121.20 121.98 2ayx s ILE 731 Ca 0.00 -0.96 -0.28 0.00 0.00 0.00 0.00 60.65 59.41 2ayx s ILE 731 Cb 0.00 -1.86 0.01 0.00 0.01 0.00 0.00 42.46 40.62 2ayx s ILE 731 CO 0.00 0.55 1.00 0.68 0.00 0.00 0.00 174.94 177.17 2ayx s VAL 732 N 0.54 4.65 -0.18 2.92 -7.23 0.18 -3.82 120.40 117.46 2ayx s VAL 732 Ca -0.13 1.79 -0.20 0.00 -1.81 0.00 0.00 61.98 61.63 2ayx s VAL 732 Cb -0.17 -4.31 -0.03 0.00 0.56 0.00 0.00 36.38 32.43 2ayx s VAL 732 CO 0.04 -0.28 0.60 -0.69 -0.31 0.00 0.00 175.10 174.46 2ayx s VAL 733 N 3.30 5.06 -0.02 1.32 1.01 -1.26 -0.88 120.40 128.92 2ayx s VAL 733 Ca 0.42 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.57 2ayx s VAL 733 Cb -0.14 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2ayx s VAL 733 CO 0.10 0.16 -0.08 -0.89 0.00 0.00 0.00 175.10 174.39 2ayx s THR 734 N 1.59 0.69 -0.18 3.92 2.01 0.18 -4.98 115.64 118.87 2ayx s THR 734 Ca 0.28 -0.32 -0.29 0.00 0.31 0.00 0.00 61.69 61.68 2ayx s THR 734 Cb -0.16 -0.62 -0.05 0.00 0.01 0.00 0.00 72.50 71.69 2ayx s THR 734 CO 0.11 0.22 1.92 -0.89 -0.69 0.00 0.00 174.62 175.29 2ayx s THR 735 N 0.18 3.29 -1.32 -0.82 2.01 -1.26 -1.47 115.64 116.26 2ayx s THR 735 Ca -0.02 0.32 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 2ayx s THR 735 Cb -0.08 -3.32 0.07 0.00 0.01 0.00 0.00 72.50 69.18 2ayx s THR 735 CO 0.00 -0.15 1.79 0.00 -0.69 0.00 0.00 174.62 175.57 2ayx n TYR 736 N 9.64 4.55 0.10 4.92 9.36 0.19 -4.67 117.16 141.25 2ayx n TYR 736 Ca 0.23 -2.86 -0.04 0.00 3.32 0.00 0.00 57.90 58.56 2ayx n TYR 736 Cb 0.45 -2.63 -0.02 0.00 -0.63 0.00 0.00 39.34 36.51 2ayx n TYR 736 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2ayx h GLU 737 N 7.40 0.00 0.00 2.98 5.08 -1.90 -3.42 114.58 124.72 2ayx h GLU 737 Ca 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.82 2ayx h GLU 737 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2ayx h GLU 737 CO 1.50 0.81 0.00 0.41 -1.00 0.00 0.00 179.01 180.73 2ayx n GLY 738 N 1.09 -0.92 0.57 -3.84 0.00 -1.26 -5.18 105.19 95.65 2ayx n GLY 738 Ca 0.00 0.34 -0.03 0.00 0.00 0.00 0.00 46.02 46.33 2ayx n GLY 738 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ayx n GLN 739 N 0.00 0.75 -3.85 1.61 3.00 -1.26 -5.10 117.38 112.53 2ayx n GLN 739 Ca 0.00 -0.43 -0.33 0.00 -0.01 0.00 0.00 57.00 56.23 2ayx n GLN 739 Cb 0.00 -0.06 -0.05 0.00 0.00 0.00 0.00 30.24 30.13 2ayx n GLN 739 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2ayx s GLU 740 N -2.56 3.49 0.04 -1.09 0.41 -1.26 -5.08 118.70 112.66 2ayx s GLU 740 Ca 0.09 -0.28 -0.30 0.00 -0.41 0.00 0.00 54.97 54.08 2ayx s GLU 740 Cb -0.01 -3.05 -0.04 0.00 -1.78 0.00 0.00 34.13 29.25 2ayx s GLU 740 CO 0.06 0.63 1.03 -1.25 -0.49 0.00 0.00 175.26 175.24 2ayx s PRO 741 N -2.15 4.56 -0.07 0.39 0.04 -1.26 -5.06 135.00 131.45 2ayx s PRO 741 Ca 0.31 1.52 0.05 0.00 0.04 0.00 0.00 61.00 62.92 2ayx s PRO 741 Cb -0.13 -3.41 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 2ayx s PRO 741 CO 0.21 -0.05 -0.22 0.99 0.04 0.00 0.00 177.00 177.98 2ayx s THR 742 N 0.78 2.36 0.33 1.26 2.01 -1.26 -4.90 115.64 116.22 2ayx s THR 742 Ca 0.52 -0.95 0.36 0.00 0.31 0.00 0.00 61.69 61.93 2ayx s THR 742 Cb -0.24 -1.89 0.36 0.00 0.01 0.00 0.00 72.50 70.75 2ayx s THR 742 CO 0.29 0.57 2.11 1.55 -0.69 0.00 0.00 174.62 178.45 2ayx h PRO 743 N 6.03 0.00 -0.52 4.92 0.13 -1.86 0.54 132.00 141.24 2ayx h PRO 743 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2ayx h PRO 743 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2ayx h PRO 743 CO 0.49 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.65 2ayx n GLU 744 N -2.79 2.86 -4.41 0.86 1.02 -1.26 -2.12 120.64 114.81 2ayx n GLU 744 Ca -0.02 -2.37 -0.26 0.00 -0.02 0.00 0.00 57.16 54.49 2ayx n GLU 744 Cb 0.07 -1.44 -0.11 0.00 -0.02 0.00 0.00 31.44 29.94 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 -1.02 3.67 0.09 1.62 1.11 0.18 -4.66 116.67 117.66 2ayx s ASP 745 Ca 0.36 -0.86 0.09 0.00 0.18 0.00 0.00 52.55 52.32 2ayx s ASP 745 Cb 0.19 -0.37 -0.03 0.00 1.07 0.00 0.00 42.92 43.78 2ayx s ASP 745 CO 0.23 0.09 -0.24 0.68 1.18 0.00 0.00 175.17 177.11 2ayx s VAL 746 N -1.96 1.97 -0.07 -1.27 -7.23 -1.23 -0.97 120.40 109.64 2ayx s VAL 746 Ca 0.25 -1.50 0.05 0.00 -1.81 0.00 0.00 61.98 58.96 2ayx s VAL 746 Cb -0.07 -1.73 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 2ayx s VAL 746 CO 0.13 0.14 -0.21 -0.22 -0.31 0.00 0.00 175.10 174.62 2ayx s LEU 747 N -1.65 2.28 -0.25 1.32 0.20 -0.09 -1.17 118.68 119.32 2ayx s LEU 747 Ca 0.10 -0.44 0.00 0.00 0.69 0.00 0.00 54.13 54.49 2ayx s LEU 747 Cb -0.10 -1.44 0.07 0.00 -0.43 0.00 0.00 46.19 44.29 2ayx s LEU 747 CO 0.04 0.24 -0.01 -0.63 -0.29 0.00 0.00 176.35 175.70 2ayx s ILE 748 N -0.12 1.33 0.03 6.68 1.01 0.18 -0.55 121.20 129.75 2ayx s ILE 748 Ca -0.04 -1.23 0.03 0.00 0.00 0.00 0.00 60.65 59.41 2ayx s ILE 748 Cb -0.14 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2ayx s ILE 748 CO 0.04 -0.24 -0.02 0.28 0.00 0.00 0.00 174.94 175.00 2ayx s THR 749 N 1.46 3.96 -0.46 2.92 -1.32 0.06 -0.78 115.64 121.47 2ayx s THR 749 Ca -0.01 -0.76 -0.21 0.00 -1.21 0.00 0.00 61.69 59.49 2ayx s THR 749 Cb -0.18 -2.79 0.03 0.00 -1.51 0.00 0.00 72.50 68.05 2ayx s THR 749 CO -0.09 0.31 0.67 -0.62 -2.21 0.00 0.00 174.62 172.67 2ayx s ASP 750 N -1.72 6.30 0.83 8.08 2.15 -0.28 -1.16 116.67 130.85 2ayx s ASP 750 Ca 0.20 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.71 2ayx s ASP 750 Cb -0.11 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.18 2ayx s ASP 750 CO 0.12 -0.85 0.00 -0.62 -0.17 0.00 0.00 175.17 173.65 2ayx n GLU 751 N 6.35 0.00 -2.96 4.34 -0.58 0.57 -4.74 120.64 123.62 2ayx n GLU 751 Ca -0.02 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.30 2ayx n GLU 751 Cb 0.47 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 31.29 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ayx s VAL 752 N 0.00 4.88 -1.46 2.62 1.01 -1.26 -4.60 120.40 121.59 2ayx s VAL 752 Ca 0.00 1.40 0.14 0.00 0.00 0.00 0.00 61.98 63.52 2ayx s VAL 752 Cb 0.00 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2ayx s VAL 752 CO 0.00 -0.06 0.84 1.33 0.00 0.00 0.00 175.10 177.21 2ayx n VAL 753 N 5.26 0.00 -3.61 2.92 0.24 -1.26 -5.02 118.33 116.86 2ayx n VAL 753 Ca 0.03 -0.40 -0.23 0.00 -2.04 0.00 0.00 64.34 61.71 2ayx n VAL 753 Cb 0.48 1.21 0.04 0.00 -1.47 0.00 0.00 33.84 34.10 2ayx n VAL 753 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ayx n SER 754 N 0.13 -3.51 -4.12 -1.34 7.64 -1.26 -5.01 113.62 106.15 2ayx n SER 754 Ca 0.07 -0.86 -0.24 0.00 1.01 0.00 0.00 58.87 58.84 2ayx n SER 754 Cb 0.32 -4.08 -0.16 0.00 -1.01 0.00 0.00 64.21 59.29 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 -5.67 1.46 -0.90 1.43 2.20 -1.26 -5.08 119.74 111.92 2ayx s LYS 755 Ca 0.24 -0.56 -0.12 0.00 -0.36 0.00 0.00 55.97 55.16 2ayx s LYS 755 Cb -0.06 -1.34 0.23 0.00 -1.51 0.00 0.00 37.83 35.15 2ayx s LYS 755 CO 0.81 0.28 0.85 0.21 -0.36 0.00 0.00 175.35 177.14 2ayx s LYS 756 N -0.14 3.73 -0.43 4.03 2.47 -1.26 -5.02 119.74 123.12 2ayx s LYS 756 Ca 0.01 -2.67 -0.28 0.00 -1.56 0.00 0.00 55.97 51.48 2ayx s LYS 756 Cb -0.09 -4.44 -0.02 0.00 -1.46 0.00 0.00 37.83 31.82 2ayx s LYS 756 CO 0.01 -1.27 1.87 -0.46 0.16 0.00 0.00 175.35 175.65 2ayx s TRP 757 N -0.22 1.70 -0.97 4.03 -0.11 -1.26 -4.93 118.94 117.18 2ayx s TRP 757 Ca 0.21 0.74 -0.17 0.00 1.22 0.00 0.00 56.10 58.11 2ayx s TRP 757 Cb -0.10 -4.07 0.16 0.00 -1.50 0.00 0.00 33.47 27.95 2ayx s TRP 757 CO -0.09 -2.73 1.11 -1.14 -4.62 0.00 0.00 176.95 169.49 2ayx s GLN 758 N 6.29 3.72 0.00 5.86 -0.44 -1.26 -4.79 119.66 129.03 2ayx s GLN 758 Ca 0.77 -2.10 0.00 0.00 -2.50 0.00 0.00 55.36 51.53 2ayx s GLN 758 Cb -0.19 -4.84 0.00 0.00 -1.64 0.00 0.00 33.01 26.34 2ayx s GLN 758 CO 0.29 -1.66 0.00 0.41 0.50 0.00 0.00 175.29 174.83 2ayx n GLY 759 N 4.84 3.78 0.17 2.59 0.00 -1.26 -3.91 105.19 111.40 2ayx n GLY 759 Ca 0.24 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.33 -1.50 1.61 9.65 -0.51 -3.44 114.38 119.86 2ayx h ARG 760 Ca 0.00 0.02 0.11 0.00 -1.10 0.00 0.00 59.98 59.02 2ayx h ARG 760 Cb 0.00 0.07 -0.23 0.00 -1.39 0.00 0.00 29.97 28.42 2ayx h ARG 760 CO 0.00 0.03 0.62 0.00 2.80 0.00 0.00 179.97 183.41 2ayx s ALA 761 N -4.02 -1.96 -0.07 2.80 0.00 -1.24 -4.74 121.76 112.52 2ayx s ALA 761 Ca -0.12 1.62 0.01 0.00 0.00 0.00 0.00 51.96 53.47 2ayx s ALA 761 Cb 0.01 -0.79 0.02 0.00 0.00 0.00 0.00 23.12 22.36 2ayx s ALA 761 CO 0.44 -0.32 -0.09 0.54 0.00 0.00 0.00 175.76 176.33 2ayx s VAL 762 N -1.21 0.97 -0.15 0.00 0.11 -0.02 -0.91 120.40 119.19 2ayx s VAL 762 Ca 0.01 -0.35 -0.02 0.00 -2.93 0.00 0.00 61.98 58.69 2ayx s VAL 762 Cb -0.01 -0.93 -0.02 0.00 -1.53 0.00 0.00 36.38 33.90 2ayx s VAL 762 CO -0.01 0.33 -0.09 -0.69 -3.33 0.00 0.00 175.10 171.31 2ayx s VAL 763 N 0.98 3.32 -0.25 2.04 1.01 0.28 -0.87 120.40 126.90 2ayx s VAL 763 Ca -0.09 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 2ayx s VAL 763 Cb -0.15 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2ayx s VAL 763 CO 0.00 0.50 0.03 -0.89 0.00 0.00 0.00 175.10 174.74 2ayx s THR 764 N 0.50 3.82 -0.53 3.92 2.01 0.32 -0.76 115.64 124.92 2ayx s THR 764 Ca -0.07 -0.47 -0.25 0.00 0.31 0.00 0.00 61.69 61.20 2ayx s THR 764 Cb -0.15 -2.84 0.03 0.00 0.01 0.00 0.00 72.50 69.56 2ayx s THR 764 CO 0.04 0.29 0.99 -0.36 -0.69 0.00 0.00 174.62 174.88 2ayx s PHE 765 N 1.52 2.80 -0.09 4.92 0.08 -0.31 -1.57 117.98 125.33 2ayx s PHE 765 Ca 0.05 0.21 -0.15 0.00 0.12 0.00 0.00 56.93 57.16 2ayx s PHE 765 Cb -0.15 -4.14 -0.05 0.00 -0.57 0.00 0.00 43.02 38.10 2ayx s PHE 765 CO 0.01 -1.32 0.38 0.00 -0.10 0.00 0.00 175.22 174.19 2ayx n ARG 767 N 2.86 0.00 0.00 0.00 3.00 -1.26 -4.04 116.66 117.22 2ayx n ARG 767 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.73 2ayx n ARG 767 Cb 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 32.46 32.79 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ayx n ARG 768 N -2.97 0.00 -0.01 -0.14 1.74 -1.26 -4.96 116.66 109.06 2ayx n ARG 768 Ca 0.00 0.00 -0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2ayx n ARG 768 Cb 0.00 -0.21 -0.00 0.00 -1.02 0.00 0.00 32.46 31.23 2ayx n ARG 768 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ayx h HIS 769 N 0.00 0.00 -2.25 -1.55 3.86 -1.97 -3.51 115.15 109.73 2ayx h HIS 769 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2ayx h HIS 769 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2ayx h HIS 769 CO 0.00 0.00 -0.57 -0.89 0.86 0.00 0.00 177.93 177.33 2ayx n ILE 770 N -2.69 -2.78 0.00 2.45 5.41 -1.26 -5.04 119.36 115.44 2ayx n ILE 770 Ca -0.01 1.20 0.00 0.00 1.00 0.00 0.00 62.75 64.95 2ayx n ILE 770 Cb 0.02 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.18 2ayx n ILE 770 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ayx n GLY 771 N -1.49 0.93 3.85 7.39 0.00 -1.26 -4.96 105.19 109.65 2ayx n GLY 771 Ca 0.00 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 2ayx n GLY 771 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ayx s ILE 772 N 0.00 4.61 0.00 -0.61 2.07 -1.26 -5.07 121.20 120.94 2ayx s ILE 772 Ca 0.00 1.04 0.00 0.00 -1.41 0.00 0.00 60.65 60.28 2ayx s ILE 772 Cb 0.00 -3.72 0.00 0.00 0.13 0.00 0.00 42.46 38.87 2ayx s ILE 772 CO 0.00 -0.61 0.00 -2.65 -1.91 0.00 0.00 174.94 169.77 2ayx n PRO 773 N -1.42 0.00 -3.09 3.50 -0.02 -1.26 -5.11 135.00 127.60 2ayx n PRO 773 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2ayx n PRO 773 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2ayx n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayx n LEU 774 N 0.00 0.00 -3.48 2.45 -0.00 -1.26 -4.77 117.00 109.94 2ayx n LEU 774 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 2ayx n LEU 774 Cb 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.33 2ayx n LEU 774 CO 0.00 0.00 1.63 -0.62 -0.00 0.00 0.00 177.39 178.40 2ayx n GLU 775 N 0.00 0.45 0.00 1.47 4.71 -0.80 -3.69 120.64 122.78 2ayx n GLU 775 Ca 0.00 -1.19 0.00 0.00 -0.01 0.00 0.00 57.16 55.96 2ayx n GLU 775 Cb 0.00 -2.56 0.00 0.00 -1.01 0.00 0.00 31.44 27.87 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 7.38 1.00 -3.83 3.49 2.85 -1.26 -5.04 118.16 122.76 2ayx n LYS 776 Ca 0.44 -0.84 -0.12 0.00 -1.05 0.00 0.00 58.31 56.74 2ayx n LYS 776 Cb 0.37 -0.80 -0.11 0.00 -0.65 0.00 0.00 35.03 33.84 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 -0.40 -0.44 -0.48 0.58 0.00 -1.24 -5.09 121.76 114.68 2ayx s ALA 777 Ca 0.00 0.28 -0.26 0.00 0.00 0.00 0.00 51.96 51.98 2ayx s ALA 777 Cb 0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 23.12 22.92 2ayx s ALA 777 CO 0.00 -0.15 2.37 -1.25 0.00 0.00 0.00 175.76 176.74 2ayx s PRO 778 N -0.54 2.17 0.00 0.00 0.04 -1.26 -1.64 135.00 133.77 2ayx s PRO 778 Ca -0.06 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2ayx s PRO 778 Cb -0.04 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.94 2ayx s PRO 778 CO 0.01 -3.20 0.00 0.41 0.04 0.00 0.00 177.00 174.26 2ayx n GLY 779 N 5.98 1.05 3.55 0.56 0.00 -1.26 -4.98 105.19 110.09 2ayx n GLY 779 Ca 0.36 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.16 3.85 -0.01 1.61 2.12 -0.65 -0.84 118.70 124.61 2ayx s GLU 780 Ca 0.00 -0.39 0.02 0.00 0.36 0.00 0.00 54.97 54.96 2ayx s GLU 780 Cb 0.00 -3.37 0.00 0.00 0.26 0.00 0.00 34.13 31.02 2ayx s GLU 780 CO 0.00 -0.02 -0.06 -1.58 -0.54 0.00 0.00 175.26 173.06 2ayx s TRP 781 N 1.19 0.63 0.05 5.30 0.52 -0.05 -1.91 118.94 124.67 2ayx s TRP 781 Ca 0.05 -0.13 0.02 0.00 0.02 0.00 0.00 56.10 56.06 2ayx s TRP 781 Cb -0.14 -0.45 -0.03 0.00 -1.15 0.00 0.00 33.47 31.70 2ayx s TRP 781 CO 0.04 -0.05 -0.07 0.14 0.02 0.00 0.00 176.95 177.03 2ayx s VAL 782 N 0.11 0.53 -0.29 4.03 -7.23 -1.26 -0.52 120.40 115.77 2ayx s VAL 782 Ca -0.01 -1.21 -0.16 0.00 -1.81 0.00 0.00 61.98 58.79 2ayx s VAL 782 Cb -0.06 -0.76 0.13 0.00 0.56 0.00 0.00 36.38 36.26 2ayx s VAL 782 CO -0.00 -0.47 0.92 -2.28 -0.31 0.00 0.00 175.10 172.95 2ayx s HIS 783 N -1.76 -0.68 -0.67 2.82 2.46 -0.61 -4.85 115.29 112.00 2ayx s HIS 783 Ca -0.07 1.35 -0.26 0.00 0.47 0.00 0.00 55.06 56.55 2ayx s HIS 783 Cb -0.07 0.41 0.04 0.00 -0.13 0.00 0.00 32.58 32.82 2ayx s HIS 783 CO -0.01 -0.34 1.15 -1.54 -2.47 0.00 0.00 174.74 171.54 2ayx s SER 784 N 1.50 6.24 0.04 9.88 1.04 -1.26 -2.37 113.70 128.77 2ayx s SER 784 Ca -0.09 -0.45 -0.28 0.00 0.48 0.00 0.00 55.95 55.61 2ayx s SER 784 Cb -0.04 -2.51 0.10 0.00 0.10 0.00 0.00 66.02 63.66 2ayx s SER 784 CO -0.16 -1.60 1.10 0.54 0.98 0.00 0.00 173.24 174.10 2ayx s VAL 785 N 4.99 0.00 -0.31 5.02 0.11 -1.26 -4.96 120.40 123.99 2ayx s VAL 785 Ca 0.33 -0.37 0.09 0.00 -2.93 0.00 0.00 61.98 59.10 2ayx s VAL 785 Cb -0.10 -1.81 0.57 0.00 -1.53 0.00 0.00 36.38 33.50 2ayx s VAL 785 CO 0.16 0.00 1.59 0.00 -3.33 0.00 0.00 175.10 173.53 2ayx n ALA 786 N -0.42 4.43 -3.77 1.54 0.00 -1.26 -4.82 120.51 116.20 2ayx n ALA 786 Ca -0.07 -2.89 -0.31 0.00 0.00 0.00 0.00 53.44 50.18 2ayx n ALA 786 Cb 0.61 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 19.15 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 -0.94 -2.41 0.03 0.00 0.00 -1.26 -4.91 120.51 111.02 2ayx n ALA 787 Ca 0.38 -0.26 -0.19 0.00 0.00 0.00 0.00 53.44 53.36 2ayx n ALA 787 Cb 1.19 -3.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.17 2ayx n ALA 787 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2ayx h PRO 788 N -1.93 0.54 0.00 0.00 0.11 -2.00 -3.43 132.00 125.28 2ayx h PRO 788 Ca -0.66 -0.61 0.00 0.00 0.11 0.00 0.00 66.00 64.85 2ayx h PRO 788 Cb 1.37 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.66 2ayx h PRO 788 CO 0.52 1.23 0.00 -2.39 -0.21 0.00 0.00 178.00 177.15 2ayx n HIS 789 N -4.03 0.00 -0.05 0.65 1.44 -1.26 -4.99 115.22 106.98 2ayx n HIS 789 Ca -0.11 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.52 2ayx n HIS 789 Cb 0.79 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.86 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 0.00 0.23 0.01 -1.40 0.00 -1.26 -4.35 120.64 113.87 2ayx n GLU 790 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 57.16 57.09 2ayx n GLU 790 Cb 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 31.44 30.22 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 -0.07 -0.03 -1.87 -1.84 7.12 -1.94 0.93 115.31 117.60 2ayx h LEU 791 Ca -0.22 -0.38 -0.03 0.00 0.13 0.00 0.00 57.88 57.39 2ayx h LEU 791 Cb 1.31 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 41.44 2ayx h LEU 791 CO -0.06 0.36 -0.13 -0.65 -0.13 0.00 0.00 178.44 177.84 2ayx h PRO 792 N -0.43 0.00 -0.05 5.25 0.11 -1.85 0.18 132.00 135.20 2ayx h PRO 792 Ca -0.00 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.86 2ayx h PRO 792 Cb 0.40 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.53 2ayx h PRO 792 CO 0.01 0.13 -0.93 0.00 -0.21 0.00 0.00 178.00 177.00 2ayx h ALA 793 N 1.87 0.24 -0.75 -0.75 0.00 -1.73 -2.30 119.26 115.84 2ayx h ALA 793 Ca -0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 54.91 54.21 2ayx h ALA 793 Cb 0.30 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2ayx h ALA 793 CO 0.02 0.71 0.34 1.25 0.00 0.00 0.00 179.25 181.57 2ayx h LEU 794 N 0.41 1.00 -0.44 0.00 7.12 0.08 0.19 115.31 123.67 2ayx h LEU 794 Ca -0.09 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.77 2ayx h LEU 794 Cb 1.57 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 41.42 2ayx h LEU 794 CO 0.18 0.87 0.29 -0.07 -0.13 0.00 0.00 178.44 179.58 2ayx h LEU 795 N 1.06 0.52 -0.90 2.25 -0.00 -0.97 0.27 115.31 117.54 2ayx h LEU 795 Ca 0.26 -0.03 -0.05 0.00 -0.00 0.00 0.00 57.88 58.06 2ayx h LEU 795 Cb 0.15 -0.13 -0.03 0.00 -0.00 0.00 0.00 40.66 40.65 2ayx h LEU 795 CO -0.03 0.39 0.23 0.00 -0.00 0.00 0.00 178.44 179.03 2ayx h ALA 796 N 1.15 1.11 -0.15 1.53 0.00 -1.05 -2.20 119.26 119.65 2ayx h ALA 796 Ca 0.16 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2ayx h ALA 796 Cb -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2ayx h ALA 796 CO -0.03 0.62 -0.29 -0.09 0.00 0.00 0.00 179.25 179.45 2ayx h ARG 797 N 1.01 0.28 0.00 0.00 2.43 -0.49 0.10 114.38 117.71 2ayx h ARG 797 Ca 0.23 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2ayx h ARG 797 Cb 0.26 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2ayx h ARG 797 CO -0.01 0.56 -0.43 0.82 -1.51 0.00 0.00 179.97 179.39 2ayx h ILE 798 N 0.25 1.12 -0.55 1.20 5.03 -0.37 -2.53 117.51 121.65 2ayx h ILE 798 Ca 0.04 -1.59 0.00 0.00 -0.12 0.00 0.00 64.86 63.19 2ayx h ILE 798 Cb 0.65 1.91 0.00 0.00 -3.03 0.00 0.00 36.82 36.34 2ayx h ILE 798 CO 0.05 0.42 0.00 -1.22 -0.68 0.00 0.00 178.15 176.72 2ayx n TYR 799 N -3.74 0.73 0.32 1.37 4.01 -0.89 -4.21 117.16 114.74 2ayx n TYR 799 Ca -0.01 -0.47 0.14 0.00 -0.16 0.00 0.00 57.90 57.40 2ayx n TYR 799 Cb 0.50 -0.01 0.39 0.00 -0.31 0.00 0.00 39.34 39.92 2ayx n TYR 799 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2ayx h LEU 800 N 3.46 0.00 -2.20 7.72 3.38 -0.35 -3.43 115.31 123.89 2ayx h LEU 800 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2ayx h LEU 800 Cb 0.89 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.76 2ayx h LEU 800 CO 0.00 0.00 -0.85 -0.38 0.09 0.00 0.00 178.44 177.30 2ayx n ILE 801 N -2.89 -6.34 -1.32 1.22 2.08 -1.26 -4.86 119.36 106.00 2ayx n ILE 801 Ca 0.03 -0.82 -0.23 0.00 0.56 0.00 0.00 62.75 62.29 2ayx n ILE 801 Cb 0.42 -4.89 -0.07 0.00 -0.75 0.00 0.00 39.64 34.35 2ayx n ILE 801 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2ayx n GLU 802 N -3.94 2.24 -3.88 0.38 0.28 -1.26 -4.83 120.64 109.63 2ayx n GLU 802 Ca -0.20 -1.96 -0.15 0.00 -0.16 0.00 0.00 57.16 54.69 2ayx n GLU 802 Cb 0.65 -2.05 -0.15 0.00 1.43 0.00 0.00 31.44 31.31 2ayx n GLU 802 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2ayx s MET 803 N -1.14 0.12 0.08 3.44 0.23 -1.26 -4.95 119.30 115.82 2ayx s MET 803 Ca 0.57 0.08 -0.13 0.00 -1.03 0.00 0.00 55.69 55.19 2ayx s MET 803 Cb 0.35 -0.28 0.04 0.00 -1.53 0.00 0.00 34.83 33.42 2ayx s MET 803 CO -0.15 -0.10 0.60 -0.85 -2.03 0.00 0.00 175.02 172.48 2ayx n GLU 804 N 3.82 0.31 0.00 3.16 0.28 -1.26 -5.08 120.64 121.87 2ayx n GLU 804 Ca -0.23 -0.75 0.00 0.00 -0.16 0.00 0.00 57.16 56.02 2ayx n GLU 804 Cb 0.53 1.04 0.00 0.00 1.43 0.00 0.00 31.44 34.44 2ayx n GLU 804 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 2ayx n SER 805 N -0.92 0.00 0.00 -1.84 7.64 -1.26 -3.92 113.62 113.33 2ayx n SER 805 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 2ayx n SER 805 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2ayx n SER 805 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2ayx n ASP 806 N 4.22 0.00 -4.21 6.43 -0.08 -1.26 -5.09 116.55 116.56 2ayx n ASP 806 Ca 0.00 0.00 -0.38 0.00 -1.51 0.00 0.00 54.79 52.90 2ayx n ASP 806 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2ayx n ASP 806 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2ayx s ASP 807 N -0.98 5.41 -0.09 1.67 2.15 -1.25 -4.92 116.67 118.66 2ayx s ASP 807 Ca 0.00 -1.63 -0.24 0.00 0.43 0.00 0.00 52.55 51.11 2ayx s ASP 807 Cb 0.00 -1.90 -0.29 0.00 -0.30 0.00 0.00 42.92 40.43 2ayx s ASP 807 CO 0.00 -0.50 0.80 -0.65 -0.17 0.00 0.00 175.17 174.65 2ayx h PRO 808 N 8.24 0.17 0.00 4.34 0.11 -1.93 -3.47 132.00 139.47 2ayx h PRO 808 Ca -0.20 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2ayx h PRO 808 Cb 1.07 0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ayx h PRO 808 CO 0.71 1.14 0.00 0.00 -0.21 0.00 0.00 178.00 179.64 2ayx n ALA 809 N -2.69 0.00 -0.81 -0.75 0.00 -1.26 -4.84 120.51 110.16 2ayx n ALA 809 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2ayx n ALA 809 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2ayx n ALA 809 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ayx n ASN 810 N -3.16 0.00 -4.57 0.00 4.05 -1.26 -4.51 115.26 105.81 2ayx n ASN 810 Ca 0.00 0.00 -0.36 0.00 0.45 0.00 0.00 54.58 54.67 2ayx n ASN 810 Cb 0.00 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 40.98 2ayx n ASN 810 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ayx s ALA 811 N -1.00 2.43 -0.32 5.20 0.00 -1.26 -4.82 121.76 121.99 2ayx s ALA 811 Ca 0.00 -2.19 0.01 0.00 0.00 0.00 0.00 51.96 49.79 2ayx s ALA 811 Cb 0.00 -4.58 0.15 0.00 0.00 0.00 0.00 23.12 18.68 2ayx s ALA 811 CO 0.00 -4.10 0.35 -1.17 0.00 0.00 0.00 175.76 170.84 2ayx s LEU 812 N 7.03 -0.29 -0.02 0.00 2.96 -1.26 -5.04 118.68 122.05 2ayx s LEU 812 Ca 0.57 -1.00 -0.06 0.00 -0.22 0.00 0.00 54.13 53.42 2ayx s LEU 812 Cb -0.01 0.66 -0.03 0.00 0.50 0.00 0.00 46.19 47.31 2ayx s LEU 812 CO -0.00 -0.33 0.47 -0.65 -1.32 0.00 0.00 176.35 174.51 2ayx h PRO 813 N 7.77 -0.22 -3.41 0.98 0.11 -2.00 -3.48 132.00 131.75 2ayx h PRO 813 Ca -0.05 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 2ayx h PRO 813 Cb 1.08 0.05 -0.17 0.00 0.11 0.00 0.00 31.00 32.07 2ayx h PRO 813 CO 0.27 -0.15 -0.32 -1.12 -0.21 0.00 0.00 178.00 176.48 2ayx s SER 814 N -3.66 -0.05 -0.54 -2.05 0.01 -1.26 -5.05 113.70 101.09 2ayx s SER 814 Ca -0.03 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 56.98 2ayx s SER 814 Cb 0.00 0.32 0.56 0.00 0.21 0.00 0.00 66.02 67.12 2ayx s SER 814 CO 0.10 -0.58 1.94 0.35 0.41 0.00 0.00 173.24 175.46 2ayx n THR 815 N 0.65 3.36 0.23 1.44 -2.24 -1.26 -4.56 114.28 111.91 2ayx n THR 815 Ca -0.19 -2.44 0.12 0.00 -2.27 0.00 0.00 64.05 59.27 2ayx n THR 815 Cb 0.59 -0.78 0.47 0.00 -2.10 0.00 0.00 70.33 68.51 2ayx n THR 815 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2ayx h ASP 816 N 1.46 0.00 -0.58 3.42 2.03 -2.04 -2.89 116.42 117.82 2ayx h ASP 816 Ca 0.61 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 56.56 2ayx h ASP 816 Cb 1.90 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 40.20 2ayx h ASP 816 CO 1.29 0.16 0.01 0.29 -1.03 0.00 0.00 179.24 179.97 2ayx n LYS 817 N -3.28 2.28 -2.74 4.15 5.02 -1.26 -5.01 118.16 117.32 2ayx n LYS 817 Ca 0.01 -3.35 -0.42 0.00 -2.02 0.00 0.00 58.31 52.53 2ayx n LYS 817 Cb 0.42 -2.00 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 2ayx n LYS 817 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ayx s ALA 818 N -3.40 3.35 -0.36 7.82 0.00 -1.09 -5.00 121.76 123.08 2ayx s ALA 818 Ca 0.50 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 2ayx s ALA 818 Cb 0.43 -3.36 0.09 0.00 0.00 0.00 0.00 23.12 20.28 2ayx s ALA 818 CO 0.01 -0.49 0.11 0.08 0.00 0.00 0.00 175.76 175.48 2ayx s VAL 819 N 1.70 2.97 -0.13 0.00 1.01 -1.26 -4.99 120.40 119.70 2ayx s VAL 819 Ca 0.47 -1.92 -0.05 0.00 0.00 0.00 0.00 61.98 60.48 2ayx s VAL 819 Cb -0.19 -2.97 -0.16 0.00 0.00 0.00 0.00 36.38 33.06 2ayx s VAL 819 CO 0.20 -0.50 3.31 -1.54 0.00 0.00 0.00 175.10 176.57 2ayx n SER 820 N 4.53 5.61 -4.00 3.32 3.41 -1.26 -4.79 113.62 120.44 2ayx n SER 820 Ca -0.04 -2.69 -0.42 0.00 -0.26 0.00 0.00 58.87 55.45 2ayx n SER 820 Cb 0.42 -1.35 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2ayx n SER 820 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2ayx n ASP 821 N 1.97 4.41 -1.40 4.04 2.03 -1.26 -4.27 116.55 122.06 2ayx n ASP 821 Ca 0.43 -2.91 0.04 0.00 0.52 0.00 0.00 54.79 52.87 2ayx n ASP 821 Cb 0.80 -1.65 0.04 0.00 -0.72 0.00 0.00 41.12 39.59 2ayx n ASP 821 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2ayx n ASN 822 N 6.25 1.06 -4.14 1.67 2.85 -1.26 -5.05 115.26 116.64 2ayx n ASN 822 Ca 0.48 -2.18 -0.33 0.00 -0.11 0.00 0.00 54.58 52.44 2ayx n ASN 822 Cb 0.40 -0.32 -0.16 0.00 1.24 0.00 0.00 39.78 40.94 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2ayx s ASP 823 N -2.11 3.17 0.00 1.20 2.15 -1.26 -4.88 116.67 114.95 2ayx s ASP 823 Ca 0.34 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.69 2ayx s ASP 823 Cb 0.38 -1.48 0.00 0.00 -0.30 0.00 0.00 42.92 41.52 2ayx s ASP 823 CO -0.16 0.02 0.00 -0.67 -0.17 0.00 0.00 175.17 174.19 2ayx n ASP 824 N 4.50 0.00 -4.72 -0.34 -0.08 -1.26 -5.11 116.55 109.54 2ayx n ASP 824 Ca -0.21 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.70 2ayx n ASP 824 Cb 0.50 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.90 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2ayx s MET 825 N 0.32 4.31 -0.02 -0.67 -1.94 -1.26 -5.03 119.30 115.02 2ayx s MET 825 Ca 0.00 0.33 0.06 0.00 -1.71 0.00 0.00 55.69 54.37 2ayx s MET 825 Cb 0.00 -3.44 -0.01 0.00 2.01 0.00 0.00 34.83 33.39 2ayx s MET 825 CO 0.00 0.18 -0.20 0.00 -0.01 0.00 0.00 175.02 174.99 2ayx s MET 826 N 0.59 1.68 -0.04 2.03 0.23 -1.26 -2.26 119.30 120.28 2ayx s MET 826 Ca 0.23 -0.71 0.07 0.00 -1.03 0.00 0.00 55.69 54.24 2ayx s MET 826 Cb -0.14 -1.60 -0.01 0.00 -1.53 0.00 0.00 34.83 31.55 2ayx s MET 826 CO 0.08 0.41 -0.24 0.42 -2.03 0.00 0.00 175.02 173.66 2ayx s ILE 827 N -0.40 1.92 -0.25 3.16 -1.09 0.32 -2.22 121.20 122.64 2ayx s ILE 827 Ca 0.06 -1.02 -0.12 0.00 -2.23 0.00 0.00 60.65 57.34 2ayx s ILE 827 Cb -0.08 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.14 2ayx s ILE 827 CO -0.00 0.54 0.24 -0.22 -1.23 0.00 0.00 174.94 174.27 2ayx s LEU 828 N -0.33 4.07 -0.28 2.97 2.96 -0.46 -1.02 118.68 126.60 2ayx s LEU 828 Ca 0.02 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.06 2ayx s LEU 828 Cb -0.12 -2.23 0.03 0.00 0.50 0.00 0.00 46.19 44.37 2ayx s LEU 828 CO 0.01 -0.04 0.01 0.68 -1.32 0.00 0.00 176.35 175.69 2ayx s VAL 829 N 1.51 3.31 -0.62 1.68 -7.23 0.03 -0.68 120.40 118.40 2ayx s VAL 829 Ca 0.10 -1.00 0.03 0.00 -1.81 0.00 0.00 61.98 59.30 2ayx s VAL 829 Cb -0.15 -2.75 0.15 0.00 0.56 0.00 0.00 36.38 34.19 2ayx s VAL 829 CO 0.08 0.07 0.40 -0.69 -0.31 0.00 0.00 175.10 174.64 2ayx s VAL 830 N 1.37 2.98 0.27 1.32 1.01 -0.90 -0.94 120.40 125.52 2ayx s VAL 830 Ca -0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 61.98 58.33 2ayx s VAL 830 Cb -0.18 -2.99 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 2ayx s VAL 830 CO -0.01 -0.90 0.52 -0.62 0.00 0.00 0.00 175.10 174.09 2ayx s ASP 831 N -0.50 6.43 0.41 3.32 -1.08 -0.80 -0.81 116.67 123.64 2ayx s ASP 831 Ca 0.20 0.63 0.08 0.00 -0.52 0.00 0.00 52.55 52.94 2ayx s ASP 831 Cb -0.17 -2.11 0.86 0.00 -1.46 0.00 0.00 42.92 40.03 2ayx s ASP 831 CO -0.06 -0.16 2.04 -2.24 0.52 0.00 0.00 175.17 175.26 2ayx h ASP 832 N 1.72 0.42 -3.83 -0.34 2.03 -0.78 -3.38 116.42 112.26 2ayx h ASP 832 Ca -0.48 -0.02 -0.32 0.00 -0.73 0.00 0.00 57.03 55.48 2ayx h ASP 832 Cb 1.19 -0.11 -0.29 0.00 -0.83 0.00 0.00 39.33 39.29 2ayx h ASP 832 CO 0.66 0.34 -0.75 -1.00 -1.03 0.00 0.00 179.24 177.47 2ayx s HIS 833 N -5.35 0.43 0.59 4.15 3.76 -1.26 -4.94 115.29 112.67 2ayx s HIS 833 Ca -0.08 -0.08 0.29 0.00 -0.15 0.00 0.00 55.06 55.04 2ayx s HIS 833 Cb 0.17 -0.30 1.63 0.00 1.11 0.00 0.00 32.58 35.19 2ayx s HIS 833 CO 0.73 -0.03 2.07 -1.35 -0.85 0.00 0.00 174.74 175.31 2ayx h PRO 834 N 6.19 0.00 -0.07 8.40 0.11 -1.95 -0.05 132.00 144.63 2ayx h PRO 834 Ca -0.29 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.79 2ayx h PRO 834 Cb 1.19 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ayx h PRO 834 CO 0.50 0.00 -0.07 0.97 -0.21 0.00 0.00 178.00 179.19 2ayx h ILE 835 N 0.00 1.37 -0.03 4.15 6.09 -1.97 -0.99 117.51 126.12 2ayx h ILE 835 Ca 0.10 -1.21 -0.18 0.00 -1.37 0.00 0.00 64.86 62.20 2ayx h ILE 835 Cb 0.59 2.01 -0.01 0.00 0.47 0.00 0.00 36.82 39.88 2ayx h ILE 835 CO -0.00 0.34 -0.77 0.78 -3.07 0.00 0.00 178.15 175.42 2ayx h ASN 836 N -0.25 0.31 -0.79 2.19 2.35 -1.86 -2.57 115.58 114.96 2ayx h ASN 836 Ca 0.01 -0.22 0.12 0.00 -0.55 0.00 0.00 56.30 55.66 2ayx h ASN 836 Cb 0.57 -0.09 -0.08 0.00 0.05 0.00 0.00 38.32 38.77 2ayx h ASN 836 CO 0.02 0.97 0.40 -0.09 -1.65 0.00 0.00 177.43 177.07 2ayx h ARG 837 N 0.16 0.61 -0.01 0.81 2.43 -0.98 0.63 114.38 118.03 2ayx h ARG 837 Ca -0.03 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.00 2ayx h ARG 837 Cb 1.35 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 2ayx h ARG 837 CO 0.12 0.40 -0.48 0.07 -1.51 0.00 0.00 179.97 178.57 2ayx h ARG 838 N 0.63 0.03 -0.05 0.20 -0.00 -0.93 -1.00 114.38 113.26 2ayx h ARG 838 Ca 0.41 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.98 60.36 2ayx h ARG 838 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.47 2ayx h ARG 838 CO -0.32 0.51 -0.01 1.25 -0.00 0.00 0.00 179.97 181.41 2ayx h LEU 839 N 0.03 0.09 -0.90 0.08 5.85 -0.54 -0.17 115.31 119.74 2ayx h LEU 839 Ca -0.00 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 2ayx h LEU 839 Cb 0.87 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 2ayx h LEU 839 CO 0.06 0.42 -0.41 0.17 -0.34 0.00 0.00 178.44 178.34 2ayx h LEU 840 N -0.24 0.30 -1.34 2.25 -0.00 -1.11 -2.46 115.31 112.71 2ayx h LEU 840 Ca 0.01 -0.13 -0.06 0.00 -0.00 0.00 0.00 57.88 57.71 2ayx h LEU 840 Cb 0.38 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.94 2ayx h LEU 840 CO 0.00 0.68 -0.17 0.00 -0.00 0.00 0.00 178.44 178.96 2ayx h ALA 841 N 1.33 1.45 -0.45 0.17 0.00 -1.07 0.30 119.26 120.99 2ayx h ALA 841 Ca 0.02 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2ayx h ALA 841 Cb 0.83 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2ayx h ALA 841 CO 0.07 0.39 -0.00 0.22 0.00 0.00 0.00 179.25 179.92 2ayx h ASP 842 N 0.22 0.79 -0.21 0.00 1.82 -0.57 0.95 116.42 119.42 2ayx h ASP 842 Ca 0.04 -0.31 -0.03 0.00 -0.39 0.00 0.00 57.03 56.35 2ayx h ASP 842 Cb 0.44 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.23 2ayx h ASP 842 CO 0.03 0.90 0.03 1.56 -1.61 0.00 0.00 179.24 180.15 2ayx h GLN 843 N 0.65 0.35 -0.92 0.28 1.08 -1.14 -1.20 115.11 114.22 2ayx h GLN 843 Ca 0.13 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.26 2ayx h GLN 843 Cb 0.50 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.84 2ayx h GLN 843 CO 0.02 0.50 0.60 -0.07 -0.95 0.00 0.00 178.83 178.94 2ayx h LEU 844 N 0.15 1.01 -1.11 1.46 -0.00 -0.87 -1.27 115.31 114.69 2ayx h LEU 844 Ca 0.06 -0.02 -0.08 0.00 -0.00 0.00 0.00 57.88 57.85 2ayx h LEU 844 Cb 0.32 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2ayx h LEU 844 CO 0.00 0.71 -0.38 1.23 -0.00 0.00 0.00 178.44 180.01 2ayx h GLY 845 N 1.19 0.00 2.00 0.83 0.00 -0.59 -2.00 103.07 104.49 2ayx h GLY 845 Ca 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.61 2ayx h GLY 845 CO -0.10 0.00 -0.36 1.76 0.00 0.00 0.00 176.54 177.84 2ayx h SER 846 N 0.00 0.00 1.75 0.19 0.02 -0.53 -3.07 113.55 111.91 2ayx h SER 846 Ca -0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 2ayx h SER 846 Cb 0.80 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2ayx h SER 846 CO 0.05 0.36 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.77 2ayx h LEU 847 N 0.00 0.00 -2.20 5.07 3.38 -0.77 -3.48 115.31 117.31 2ayx h LEU 847 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ayx h LEU 847 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2ayx h LEU 847 CO 0.05 0.25 0.00 0.61 0.09 0.00 0.00 178.44 179.44 2ayx n GLY 848 N 1.16 0.84 3.10 0.83 0.00 -0.80 -5.10 105.19 105.23 2ayx n GLY 848 Ca 0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.74 0.96 -0.25 1.61 2.02 -1.10 -5.04 117.35 112.81 2ayx s TYR 849 Ca 0.00 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.02 2ayx s TYR 849 Cb 0.00 -0.57 -0.01 0.00 -0.40 0.00 0.00 41.96 40.98 2ayx s TYR 849 CO 0.00 -0.00 1.44 -0.65 -1.57 0.00 0.00 175.55 174.77 2ayx s GLN 850 N -1.28 3.89 -0.10 -0.62 -1.52 -0.96 -4.63 119.66 114.44 2ayx s GLN 850 Ca -0.03 1.47 -0.01 0.00 -1.95 0.00 0.00 55.36 54.84 2ayx s GLN 850 Cb -0.08 -3.94 -0.03 0.00 -0.22 0.00 0.00 33.01 28.74 2ayx s GLN 850 CO 0.01 -1.16 -0.05 0.00 -0.25 0.00 0.00 175.29 173.84 2ayx s LYS 852 N -0.37 3.11 -0.05 0.00 3.01 -0.19 -4.95 119.74 120.30 2ayx s LYS 852 Ca 0.06 -0.82 -0.18 0.00 -1.01 0.00 0.00 55.97 54.01 2ayx s LYS 852 Cb -0.12 -3.16 -0.05 0.00 -1.01 0.00 0.00 37.83 33.49 2ayx s LYS 852 CO 0.02 -0.36 0.51 0.95 0.51 0.00 0.00 175.35 176.98 2ayx s THR 853 N 1.44 5.04 0.17 2.17 -4.23 -1.26 -0.79 115.64 118.18 2ayx s THR 853 Ca 0.03 1.04 -0.13 0.00 -1.18 0.00 0.00 61.69 61.45 2ayx s THR 853 Cb -0.16 -3.84 0.01 0.00 1.34 0.00 0.00 72.50 69.85 2ayx s THR 853 CO -0.01 0.42 0.39 0.00 -0.54 0.00 0.00 174.62 174.88 2ayx s ALA 854 N -0.07 -0.47 -0.47 3.99 0.00 -0.11 -4.96 121.76 119.67 2ayx s ALA 854 Ca 0.27 -0.54 0.06 0.00 0.00 0.00 0.00 51.96 51.76 2ayx s ALA 854 Cb -0.17 0.83 0.22 0.00 0.00 0.00 0.00 23.12 24.01 2ayx s ALA 854 CO 0.14 -0.71 0.70 0.27 0.00 0.00 0.00 175.76 176.16 2ayx n ASN 855 N -0.27 -2.15 0.00 0.00 2.04 -1.26 -1.90 115.26 111.73 2ayx n ASN 855 Ca -0.09 -2.96 0.00 0.00 -0.44 0.00 0.00 54.58 51.09 2ayx n ASN 855 Cb 0.63 1.02 0.00 0.00 -2.53 0.00 0.00 39.78 38.90 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 2ayx n ASP 856 N 2.11 0.00 -0.01 0.53 5.75 -1.26 -4.96 116.55 118.71 2ayx n ASP 856 Ca 0.17 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.73 2ayx n ASP 856 Cb 0.57 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.53 2ayx n ASP 856 CO 0.00 0.00 0.00 1.23 -0.11 0.00 0.00 177.20 178.32 2ayx h GLY 857 N 0.00 0.24 1.26 6.12 0.00 -1.98 -3.31 103.07 105.40 2ayx h GLY 857 Ca 0.00 -0.61 -0.11 0.00 0.00 0.00 0.00 47.33 46.61 2ayx h GLY 857 CO 0.00 0.53 -0.18 -0.39 0.00 0.00 0.00 176.54 176.50 2ayx h VAL 858 N -0.36 1.27 -0.37 4.60 -1.51 -1.98 -2.32 116.25 115.57 2ayx h VAL 858 Ca -0.32 -1.30 -0.12 0.00 -1.23 0.00 0.00 66.70 63.73 2ayx h VAL 858 Cb 1.72 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 2ayx h VAL 858 CO 0.02 0.44 -0.24 -0.78 -1.23 0.00 0.00 177.57 175.79 2ayx h ASP 859 N 0.75 0.76 -0.79 4.19 3.58 -1.97 0.43 116.42 123.36 2ayx h ASP 859 Ca 0.11 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.26 2ayx h ASP 859 Cb 0.71 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 2ayx h ASP 859 CO 0.05 0.97 0.43 0.00 -2.88 0.00 0.00 179.24 177.81 2ayx h ALA 860 N 1.08 1.24 -0.01 -0.78 0.00 -1.59 -0.16 119.26 119.05 2ayx h ALA 860 Ca 0.09 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2ayx h ALA 860 Cb 0.75 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2ayx h ALA 860 CO 0.06 0.60 -0.76 -0.07 0.00 0.00 0.00 179.25 179.08 2ayx h LEU 861 N 1.12 0.12 -0.02 0.00 3.38 -1.07 -1.48 115.31 117.37 2ayx h LEU 861 Ca 0.28 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2ayx h LEU 861 Cb 0.04 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 2ayx h LEU 861 CO -0.04 0.84 0.00 -1.13 0.09 0.00 0.00 178.44 178.20 2ayx h ASN 862 N 0.06 0.03 0.24 -0.43 -1.24 -0.21 0.51 115.58 114.54 2ayx h ASN 862 Ca -0.02 -0.23 -0.08 0.00 0.71 0.00 0.00 56.30 56.68 2ayx h ASN 862 Cb 1.34 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.37 2ayx h ASN 862 CO 0.11 0.25 -0.32 1.62 -1.29 0.00 0.00 177.43 177.80 2ayx h VAL 863 N -0.20 1.25 -0.25 2.57 3.04 -1.08 -1.98 116.25 119.60 2ayx h VAL 863 Ca 0.01 -1.20 -0.07 0.00 -1.01 0.00 0.00 66.70 64.42 2ayx h VAL 863 Cb 0.24 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.06 2ayx h VAL 863 CO 0.00 0.35 -0.15 0.25 -1.01 0.00 0.00 177.57 177.02 2ayx h LEU 864 N 0.11 0.41 -0.81 3.16 7.12 -0.99 -0.70 115.31 123.62 2ayx h LEU 864 Ca 0.01 -0.11 -0.09 0.00 0.13 0.00 0.00 57.88 57.83 2ayx h LEU 864 Cb 0.62 -0.11 -0.02 0.00 -0.53 0.00 0.00 40.66 40.62 2ayx h LEU 864 CO 0.05 0.59 -0.04 0.28 -0.13 0.00 0.00 178.44 179.19 2ayx h SER 865 N 0.40 0.84 0.40 1.25 0.02 -0.15 -0.84 113.55 115.46 2ayx h SER 865 Ca 0.07 -0.23 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 2ayx h SER 865 Cb 0.50 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2ayx h SER 865 CO 0.03 0.92 -0.31 0.50 -1.14 0.00 0.00 176.83 176.84 2ayx h LYS 866 N 0.79 0.00 -5.61 3.45 1.63 -1.09 -3.48 116.57 112.26 2ayx h LYS 866 Ca 0.14 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.85 2ayx h LYS 866 Cb 0.53 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 2ayx h LYS 866 CO 0.03 0.31 -0.34 -1.71 -3.45 0.00 0.00 179.45 174.28 2ayx n ASN 867 N -3.99 -7.30 -2.63 4.20 5.15 -0.31 -4.97 115.26 105.42 2ayx n ASN 867 Ca -0.02 -0.05 -0.11 0.00 -0.60 0.00 0.00 54.58 53.80 2ayx n ASN 867 Cb 0.37 -4.62 0.03 0.00 -0.53 0.00 0.00 39.78 35.03 2ayx n ASN 867 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2ayx n HIS 868 N -1.44 1.67 -3.89 1.20 8.25 -1.25 -5.07 115.22 114.68 2ayx n HIS 868 Ca -0.02 -2.60 -0.11 0.00 -0.26 0.00 0.00 57.72 54.73 2ayx n HIS 868 Cb 0.53 -0.29 -0.12 0.00 1.12 0.00 0.00 29.99 31.23 2ayx n HIS 868 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2ayx s ILE 869 N -3.82 0.06 -0.24 1.59 1.09 -1.26 -4.91 121.20 113.71 2ayx s ILE 869 Ca 0.32 -0.47 -0.14 0.00 -1.10 0.00 0.00 60.65 59.27 2ayx s ILE 869 Cb 0.41 -0.25 -0.10 0.00 -1.06 0.00 0.00 42.46 41.46 2ayx s ILE 869 CO -0.02 -0.26 -0.33 -0.67 -0.10 0.00 0.00 174.94 173.56 2ayx n ASP 870 N 2.16 1.83 -4.33 3.58 -0.08 -0.94 -4.97 116.55 113.80 2ayx n ASP 870 Ca -0.19 0.32 -0.33 0.00 -1.51 0.00 0.00 54.79 53.08 2ayx n ASP 870 Cb 0.57 -0.75 -0.15 0.00 2.34 0.00 0.00 41.12 43.13 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ayx s ILE 871 N -2.56 2.83 -0.21 5.18 -1.09 -1.23 -4.50 121.20 119.61 2ayx s ILE 871 Ca -0.34 -0.74 -0.06 0.00 -2.23 0.00 0.00 60.65 57.28 2ayx s ILE 871 Cb 0.11 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.79 2ayx s ILE 871 CO 0.44 0.53 0.04 -0.69 -1.23 0.00 0.00 174.94 174.03 2ayx s VAL 872 N 0.40 4.28 -0.13 2.92 1.01 -1.08 -1.36 120.40 126.44 2ayx s VAL 872 Ca -0.12 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 2ayx s VAL 872 Cb -0.16 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2ayx s VAL 872 CO 0.06 0.40 -0.06 -0.76 0.00 0.00 0.00 175.10 174.75 2ayx s LEU 873 N 1.06 3.17 -0.42 3.92 1.43 0.15 -0.57 118.68 127.41 2ayx s LEU 873 Ca 0.03 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.05 2ayx s LEU 873 Cb -0.14 -1.74 0.11 0.00 0.03 0.00 0.00 46.19 44.45 2ayx s LEU 873 CO 0.02 0.22 0.15 -0.44 0.23 0.00 0.00 176.35 176.53 2ayx s SER 874 N 0.08 4.50 -0.54 2.29 0.01 0.05 -2.11 113.70 117.97 2ayx s SER 874 Ca -0.01 -2.54 -0.23 0.00 1.31 0.00 0.00 55.95 54.48 2ayx s SER 874 Cb -0.14 -1.58 0.05 0.00 0.21 0.00 0.00 66.02 64.56 2ayx s SER 874 CO 0.03 -0.31 0.85 -1.81 0.41 0.00 0.00 173.24 172.41 2ayx s ASP 875 N 0.37 6.30 -0.93 2.44 1.11 0.01 -1.20 116.67 124.78 2ayx s ASP 875 Ca 0.14 -0.52 -0.09 0.00 0.18 0.00 0.00 52.55 52.26 2ayx s ASP 875 Cb -0.22 -2.39 -0.01 0.00 1.07 0.00 0.00 42.92 41.37 2ayx s ASP 875 CO -0.05 -1.13 0.72 0.52 1.18 0.00 0.00 175.17 176.42 2ayx n VAL 876 N 6.02 -6.66 -0.41 -1.27 0.31 0.54 -0.31 118.33 116.54 2ayx n VAL 876 Ca -0.01 -0.52 -0.14 0.00 -0.01 0.00 0.00 64.34 63.65 2ayx n VAL 876 Cb 0.47 -4.86 0.08 0.00 -0.91 0.00 0.00 33.84 28.61 2ayx n VAL 876 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2ayx n ASN 877 N -2.42 4.41 -4.49 4.52 2.85 -1.26 -3.88 115.26 114.99 2ayx n ASN 877 Ca -0.12 -2.94 -0.42 0.00 -0.11 0.00 0.00 54.58 51.00 2ayx n ASN 877 Cb 0.59 -0.80 -0.10 0.00 1.24 0.00 0.00 39.78 40.71 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 2ayx s MET 878 N -1.82 3.21 0.04 1.20 1.75 -1.26 -4.77 119.30 117.65 2ayx s MET 878 Ca 0.31 -0.85 -0.32 0.00 -1.25 0.00 0.00 55.69 53.58 2ayx s MET 878 Cb 0.26 -3.89 -0.18 0.00 2.84 0.00 0.00 34.83 33.85 2ayx s MET 878 CO 0.04 -0.61 1.42 -1.35 -0.65 0.00 0.00 175.02 173.87 2ayx h PRO 879 N 8.56 -1.03 0.00 4.11 0.11 -1.89 -3.48 132.00 138.38 2ayx h PRO 879 Ca -0.29 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2ayx h PRO 879 Cb 1.14 0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2ayx h PRO 879 CO 0.68 -0.67 0.00 -1.71 -0.21 0.00 0.00 178.00 176.09 2ayx n ASN 880 N -5.51 -0.79 -4.35 -2.05 2.85 -1.26 -5.05 115.26 99.10 2ayx n ASN 880 Ca -0.14 0.58 -0.46 0.00 -0.11 0.00 0.00 54.58 54.44 2ayx n ASN 880 Cb 0.43 1.13 -0.02 0.00 1.24 0.00 0.00 39.78 42.57 2ayx n ASN 880 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 2ayx s MET 881 N -1.99 3.70 0.34 1.20 1.75 -1.26 -4.93 119.30 118.10 2ayx s MET 881 Ca 0.00 -2.48 0.00 0.00 -1.25 0.00 0.00 55.69 51.96 2ayx s MET 881 Cb 0.00 -4.53 0.00 0.00 2.84 0.00 0.00 34.83 33.14 2ayx s MET 881 CO 0.00 -1.36 0.00 -3.47 -0.65 0.00 0.00 175.02 169.54 2ayx n ASP 882 N 4.16 -5.08 -0.41 1.11 2.03 -1.26 -4.86 116.55 112.24 2ayx n ASP 882 Ca 0.17 1.00 0.07 0.00 0.52 0.00 0.00 54.79 56.55 2ayx n ASP 882 Cb 0.46 -2.51 0.18 0.00 -0.72 0.00 0.00 41.12 38.53 2ayx n ASP 882 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ayx n GLY 883 N -1.81 4.93 0.19 0.27 0.00 -1.26 -4.35 105.19 103.15 2ayx n GLY 883 Ca 0.00 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 44.94 2ayx n GLY 883 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ayx h TYR 884 N 0.57 0.00 -0.15 1.61 -0.00 -1.92 -3.07 116.97 114.02 2ayx h TYR 884 Ca 0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.69 2ayx h TYR 884 Cb 1.08 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.80 2ayx h TYR 884 CO 0.39 0.00 -0.16 -0.09 -0.00 0.00 0.00 178.16 178.30 2ayx h ARG 885 N 0.00 0.24 0.03 0.10 1.12 -1.95 0.94 114.38 114.86 2ayx h ARG 885 Ca 0.00 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.81 2ayx h ARG 885 Cb 0.94 -0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.87 2ayx h ARG 885 CO 0.00 0.41 -0.01 1.25 -3.11 0.00 0.00 179.97 178.51 2ayx h LEU 886 N 0.23 -0.03 -0.75 3.80 5.85 -1.89 -1.40 115.31 121.11 2ayx h LEU 886 Ca 0.04 -0.58 -0.04 0.00 0.84 0.00 0.00 57.88 58.14 2ayx h LEU 886 Cb 0.43 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 2ayx h LEU 886 CO 0.03 0.59 0.30 0.71 -0.34 0.00 0.00 178.44 179.72 2ayx h THR 887 N -0.67 1.26 -0.49 1.05 1.35 -1.61 -0.61 112.91 113.19 2ayx h THR 887 Ca -0.00 -0.81 -0.06 0.00 -0.55 0.00 0.00 66.41 64.99 2ayx h THR 887 Cb 0.61 0.37 -0.02 0.00 -1.73 0.00 0.00 68.15 67.39 2ayx h THR 887 CO 0.01 0.33 0.07 -0.61 -0.25 0.00 0.00 175.52 175.06 2ayx h GLN 888 N 1.09 0.81 -0.30 4.72 5.75 -0.88 -1.15 115.11 125.15 2ayx h GLN 888 Ca 0.25 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.50 2ayx h GLN 888 Cb 0.22 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.67 2ayx h GLN 888 CO -0.02 0.82 0.06 -0.09 -2.65 0.00 0.00 178.83 176.95 2ayx h ARG 889 N 0.68 0.48 -0.18 1.69 2.43 -0.83 -0.32 114.38 118.33 2ayx h ARG 889 Ca 0.15 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 59.08 2ayx h ARG 889 Cb 0.41 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 2ayx h ARG 889 CO 0.01 0.57 -0.39 0.97 -1.51 0.00 0.00 179.97 179.62 2ayx h ILE 890 N 0.32 1.30 0.00 1.20 2.10 -1.07 0.07 117.51 121.42 2ayx h ILE 890 Ca 0.09 -1.52 -0.05 0.00 1.08 0.00 0.00 64.86 64.46 2ayx h ILE 890 Cb 0.31 1.60 -0.01 0.00 -1.09 0.00 0.00 36.82 37.63 2ayx h ILE 890 CO 0.00 0.47 -0.23 0.08 -1.08 0.00 0.00 178.15 177.39 2ayx h ARG 891 N 0.34 0.00 0.02 2.19 0.11 -1.05 -2.41 114.38 113.58 2ayx h ARG 891 Ca 0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.11 2ayx h ARG 891 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 2ayx h ARG 891 CO 0.07 0.23 -0.01 1.96 0.10 0.00 0.00 179.97 182.32 2ayx h GLN 892 N 0.00 -0.03 0.93 0.08 1.08 -0.55 -3.40 115.11 113.21 2ayx h GLN 892 Ca -0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 2ayx h GLN 892 Cb 0.94 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.38 2ayx h GLN 892 CO 0.03 0.67 -0.44 -0.07 -0.95 0.00 0.00 178.83 178.07 2ayx h LEU 893 N -0.92 -1.05 0.00 1.46 4.07 -1.00 -3.46 115.31 114.41 2ayx h LEU 893 Ca -0.00 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2ayx h LEU 893 Cb 0.72 0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.73 2ayx h LEU 893 CO 0.01 -0.73 0.00 0.61 -1.08 0.00 0.00 178.44 177.24 2ayx n GLY 894 N -1.50 -1.95 3.52 0.83 0.00 -0.95 -5.11 105.19 100.03 2ayx n GLY 894 Ca -0.15 0.92 -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 4.52 0.00 0.99 2.96 -0.96 -4.80 118.68 121.39 2ayx s LEU 895 Ca 0.00 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2ayx s LEU 895 Cb 0.00 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.99 2ayx s LEU 895 CO 0.00 -0.75 0.00 0.41 -1.32 0.00 0.00 176.35 174.69 2ayx n THR 896 N 5.80 0.00 -3.77 3.68 -1.04 -1.26 -5.02 114.28 112.67 2ayx n THR 896 Ca -0.02 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.69 2ayx n THR 896 Cb 0.48 -0.40 -0.04 0.00 -1.82 0.00 0.00 70.33 68.55 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 -3.16 4.28 0.11 -4.42 2.34 -1.26 -5.05 118.68 111.52 2ayx s LEU 897 Ca 0.00 0.41 -0.31 0.00 0.06 0.00 0.00 54.13 54.29 2ayx s LEU 897 Cb 0.00 -3.14 -0.08 0.00 -0.56 0.00 0.00 46.19 42.41 2ayx s LEU 897 CO 0.00 0.05 1.50 -2.16 -1.06 0.00 0.00 176.35 174.68 2ayx s PRO 898 N -2.88 4.26 -0.37 1.48 0.04 -1.26 -4.92 135.00 131.34 2ayx s PRO 898 Ca 0.38 2.20 -0.10 0.00 0.04 0.00 0.00 61.00 63.53 2ayx s PRO 898 Cb -0.12 -3.32 0.04 0.00 0.04 0.00 0.00 34.50 31.14 2ayx s PRO 898 CO 0.27 -0.56 0.19 0.08 0.04 0.00 0.00 177.00 177.02 2ayx s VAL 899 N 1.55 4.35 -0.35 -0.36 1.01 -1.08 -2.63 120.40 122.89 2ayx s VAL 899 Ca 0.68 -1.00 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 2ayx s VAL 899 Cb -0.39 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 2ayx s VAL 899 CO 0.30 -0.26 0.23 -0.63 0.00 0.00 0.00 175.10 174.74 2ayx s ILE 900 N 1.50 5.12 -0.25 2.22 1.09 0.27 -1.18 121.20 129.97 2ayx s ILE 900 Ca 0.01 -0.35 -0.04 0.00 -1.10 0.00 0.00 60.65 59.18 2ayx s ILE 900 Cb -0.20 -3.67 0.01 0.00 -1.06 0.00 0.00 42.46 37.54 2ayx s ILE 900 CO 0.05 -0.05 -0.02 -0.83 -0.10 0.00 0.00 174.94 173.99 2ayx s GLY 901 N 1.69 1.66 0.05 6.18 0.00 -0.04 -0.77 107.32 116.08 2ayx s GLY 901 Ca 0.05 -1.38 -0.19 0.00 0.00 0.00 0.00 44.72 43.21 2ayx s GLY 901 CO 0.09 0.53 0.56 -1.34 0.00 0.00 0.00 173.10 172.94 2ayx s VAL 902 N 1.41 4.81 0.08 1.40 -7.23 -0.34 -0.73 120.40 119.79 2ayx s VAL 902 Ca 0.02 1.19 0.00 0.00 -1.81 0.00 0.00 61.98 61.38 2ayx s VAL 902 Cb -0.16 -3.89 -0.04 0.00 0.56 0.00 0.00 36.38 32.85 2ayx s VAL 902 CO -0.02 0.52 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.36 2ayx s THR 903 N -0.87 0.40 -0.55 5.32 2.01 0.16 -0.34 115.64 121.77 2ayx s THR 903 Ca 0.29 -1.87 -0.25 0.00 0.31 0.00 0.00 61.69 60.17 2ayx s THR 903 Cb -0.19 -1.64 0.04 0.00 0.01 0.00 0.00 72.50 70.73 2ayx s THR 903 CO 0.18 -0.90 0.98 0.00 -0.69 0.00 0.00 174.62 174.19 2ayx s ALA 904 N -3.81 3.14 0.00 7.40 0.00 -1.26 -0.86 121.76 126.36 2ayx s ALA 904 Ca 0.10 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2ayx s ALA 904 Cb 0.07 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.41 2ayx s ALA 904 CO -0.07 -2.42 0.00 -1.71 0.00 0.00 0.00 175.76 171.56 2ayx n ASN 905 N 7.60 0.00 -3.62 0.00 2.85 -1.26 -4.85 115.26 115.98 2ayx n ASN 905 Ca 0.03 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.25 2ayx n ASN 905 Cb 0.48 0.00 0.04 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 6.82 -2.31 -1.54 5.20 0.00 -1.26 -4.86 120.51 122.56 2ayx n ALA 906 Ca 0.00 -0.14 -0.43 0.00 0.00 0.00 0.00 53.44 52.87 2ayx n ALA 906 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 19.45 15.99 2ayx n ALA 906 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ayx n LEU 907 N -4.05 1.38 -1.00 0.00 7.94 -1.26 -2.71 117.00 117.29 2ayx n LEU 907 Ca -0.18 1.04 -0.04 0.00 -1.11 0.00 0.00 56.01 55.72 2ayx n LEU 907 Cb 0.64 -1.24 0.01 0.00 0.53 0.00 0.00 43.42 43.36 2ayx n LEU 907 CO 0.66 -1.97 0.04 0.00 -1.11 0.00 0.00 177.39 175.01 2ayx n ALA 908 N -0.39 -0.22 -0.17 1.96 0.00 -1.26 -4.96 120.51 115.47 2ayx n ALA 908 Ca 0.11 0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.57 2ayx n ALA 908 Cb 0.36 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.52 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 -0.45 0.54 -0.62 0.00 3.07 -1.84 -0.15 114.58 115.14 2ayx h GLU 909 Ca -0.10 -0.03 0.03 0.00 -0.50 0.00 0.00 59.36 58.76 2ayx h GLU 909 Cb 1.06 -0.12 -0.04 0.00 -0.84 0.00 0.00 28.75 28.81 2ayx h GLU 909 CO 0.10 0.36 0.38 1.05 -1.40 0.00 0.00 179.01 179.49 2ayx h GLU 910 N 0.56 0.71 -0.21 2.33 4.11 -1.93 -1.31 114.58 118.84 2ayx h GLU 910 Ca 0.22 -0.04 -0.10 0.00 0.07 0.00 0.00 59.36 59.51 2ayx h GLU 910 Cb 0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2ayx h GLU 910 CO -0.13 0.47 -0.29 -0.22 0.07 0.00 0.00 179.01 178.91 2ayx h LYS 911 N 0.74 0.41 0.68 1.06 3.64 -1.77 -1.49 116.57 119.83 2ayx h LYS 911 Ca 0.25 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 2ayx h LYS 911 Cb 0.04 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2ayx h LYS 911 CO -0.11 0.66 -0.33 0.37 -2.27 0.00 0.00 179.45 177.77 2ayx h GLN 912 N 0.36 -0.88 -0.36 1.90 5.75 -0.41 -0.09 115.11 121.37 2ayx h GLN 912 Ca 0.05 0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 2ayx h GLN 912 Cb 0.69 0.20 -0.02 0.00 1.07 0.00 0.00 27.48 29.42 2ayx h GLN 912 CO 0.05 -0.55 0.24 -0.09 -2.65 0.00 0.00 178.83 175.83 2ayx h ARG 913 N -1.07 0.46 0.01 1.69 1.12 -1.17 0.11 114.38 115.52 2ayx h ARG 913 Ca -0.09 -0.03 -0.21 0.00 -1.11 0.00 0.00 59.98 58.54 2ayx h ARG 913 Cb 0.73 -0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 2ayx h ARG 913 CO 0.15 0.30 -0.91 0.00 -3.11 0.00 0.00 179.97 176.41 2ayx h LEU 915 N 0.13 0.22 -1.14 0.00 5.85 0.23 -3.20 115.31 117.41 2ayx h LEU 915 Ca -0.06 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 58.05 2ayx h LEU 915 Cb 1.54 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.50 2ayx h LEU 915 CO 0.14 0.71 -0.37 -0.33 -0.34 0.00 0.00 178.44 178.26 2ayx h GLU 916 N -0.26 0.00 -5.29 1.25 5.08 -1.11 -3.47 114.58 110.78 2ayx h GLU 916 Ca 0.01 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.98 2ayx h GLU 916 Cb 0.67 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.87 2ayx h GLU 916 CO 0.03 0.37 -0.57 0.43 -1.00 0.00 0.00 179.01 178.26 2ayx n SER 917 N -3.74 -4.22 -0.96 1.42 7.64 -0.77 -4.53 113.62 108.46 2ayx n SER 917 Ca -0.01 -0.39 0.02 0.00 1.01 0.00 0.00 58.87 59.50 2ayx n SER 917 Cb 0.46 -3.46 0.01 0.00 -1.01 0.00 0.00 64.21 60.20 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 -1.26 0.74 0.00 0.23 0.00 -1.26 -4.82 105.19 98.82 2ayx n GLY 918 Ca -0.03 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.60 2ayx n GLY 918 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2ayx n MET 919 N 0.23 0.00 0.00 1.61 0.00 -1.26 -4.68 117.12 113.01 2ayx n MET 919 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.72 2ayx n MET 919 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.12 2ayx n MET 919 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2ayx n ASP 920 N 0.00 0.00 -4.10 6.12 2.03 -0.32 -2.62 116.55 117.66 2ayx n ASP 920 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 2ayx n ASP 920 Cb 0.00 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.25 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ayx s SER 921 N 0.00 1.74 -0.18 1.67 0.01 -1.03 -5.00 113.70 110.91 2ayx s SER 921 Ca 0.00 -0.27 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 2ayx s SER 921 Cb 0.00 -0.34 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2ayx s SER 921 CO 0.00 0.15 0.07 0.00 0.41 0.00 0.00 173.24 173.87 2ayx s LEU 923 N 0.37 2.12 0.06 0.00 1.43 0.09 -4.95 118.68 117.80 2ayx s LEU 923 Ca 0.03 -1.66 0.03 0.00 -1.03 0.00 0.00 54.13 51.51 2ayx s LEU 923 Cb -0.12 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.71 2ayx s LEU 923 CO -0.00 -0.89 0.00 -0.44 0.23 0.00 0.00 176.35 175.25 2ayx s SER 924 N -3.71 5.08 0.03 2.29 0.01 -1.26 -0.66 113.70 115.48 2ayx s SER 924 Ca 0.17 -0.11 -0.23 0.00 1.31 0.00 0.00 55.95 57.09 2ayx s SER 924 Cb 0.02 -1.26 -0.16 0.00 0.21 0.00 0.00 66.02 64.83 2ayx s SER 924 CO 0.10 0.21 1.42 0.50 0.41 0.00 0.00 173.24 175.88 2ayx h LYS 925 N 3.76 0.13 -3.91 12.44 3.64 -1.27 -3.28 116.57 128.09 2ayx h LYS 925 Ca -0.48 -0.05 -0.52 0.00 -1.27 0.00 0.00 60.65 58.33 2ayx h LYS 925 Cb 1.17 -0.01 0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2ayx h LYS 925 CO 0.59 0.45 2.53 -0.35 -2.27 0.00 0.00 179.45 180.40 2ayx n PRO 926 N -4.82 1.91 -4.08 1.90 -0.04 -1.26 -4.89 135.00 123.71 2ayx n PRO 926 Ca -0.07 -1.70 -0.31 0.00 -0.04 0.00 0.00 63.50 61.38 2ayx n PRO 926 Cb 0.22 -2.70 -0.07 0.00 -0.04 0.00 0.00 33.50 30.90 2ayx n PRO 926 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ayx s VAL 927 N 4.06 4.47 0.59 0.52 0.11 -1.24 -5.11 120.40 123.81 2ayx s VAL 927 Ca 0.48 -0.74 -0.16 0.00 -2.93 0.00 0.00 61.98 58.63 2ayx s VAL 927 Cb 0.12 -3.13 -0.03 0.00 -1.53 0.00 0.00 36.38 31.81 2ayx s VAL 927 CO 0.03 0.17 1.07 0.42 -3.33 0.00 0.00 175.10 173.46 2ayx s THR 928 N -1.34 3.62 0.47 5.04 -4.23 -1.26 -4.90 115.64 113.04 2ayx s THR 928 Ca 0.28 0.81 0.12 0.00 -1.18 0.00 0.00 61.69 61.71 2ayx s THR 928 Cb -0.12 -3.32 0.27 0.00 1.34 0.00 0.00 72.50 70.67 2ayx s THR 928 CO 0.20 -0.42 2.11 0.25 -0.54 0.00 0.00 174.62 176.22 2ayx h LEU 929 N 0.52 0.21 -1.03 4.79 7.12 -2.00 -0.63 115.31 124.29 2ayx h LEU 929 Ca -0.47 -0.01 -0.08 0.00 0.13 0.00 0.00 57.88 57.45 2ayx h LEU 929 Cb 1.23 -0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.30 2ayx h LEU 929 CO 0.57 0.15 -0.37 -0.78 -0.13 0.00 0.00 178.44 177.88 2ayx h ASP 930 N 0.24 0.00 0.08 1.25 3.58 -1.98 -1.90 116.42 117.70 2ayx h ASP 930 Ca 0.07 0.00 -0.16 0.00 0.42 0.00 0.00 57.03 57.36 2ayx h ASP 930 Cb -0.02 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.05 2ayx h ASP 930 CO -0.01 0.37 -0.67 0.58 -2.88 0.00 0.00 179.24 176.62 2ayx h VAL 931 N 0.00 1.51 -0.79 2.25 2.07 -1.49 0.80 116.25 120.60 2ayx h VAL 931 Ca -0.00 -2.36 -0.00 0.00 0.82 0.00 0.00 66.70 65.16 2ayx h VAL 931 Cb 0.85 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 33.59 2ayx h VAL 931 CO 0.05 0.67 0.49 -0.29 0.02 0.00 0.00 177.57 178.51 2ayx h ILE 932 N -0.34 1.22 -0.47 4.57 -0.00 -1.48 0.02 117.51 121.02 2ayx h ILE 932 Ca -0.11 -0.45 -0.01 0.00 -0.00 0.00 0.00 64.86 64.29 2ayx h ILE 932 Cb 1.47 0.09 -0.02 0.00 -0.00 0.00 0.00 36.82 38.36 2ayx h ILE 932 CO 0.13 0.22 0.24 0.50 -0.00 0.00 0.00 178.15 179.24 2ayx h LYS 933 N 1.08 0.66 0.19 2.19 3.11 -1.37 -1.62 116.57 120.82 2ayx h LYS 933 Ca 0.29 -0.09 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 2ayx h LYS 933 Cb -0.07 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.03 2ayx h LYS 933 CO -0.06 0.54 -0.17 1.96 -2.81 0.00 0.00 179.45 178.91 2ayx h GLN 934 N 0.62 -0.37 -0.62 1.90 1.08 -0.33 0.26 115.11 117.65 2ayx h GLN 934 Ca 0.16 0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.38 2ayx h GLN 934 Cb 0.08 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.57 2ayx h GLN 934 CO -0.02 -0.25 0.35 1.15 -0.95 0.00 0.00 178.83 179.11 2ayx h THR 935 N -0.38 1.20 0.10 -0.54 2.02 -0.94 0.13 112.91 114.50 2ayx h THR 935 Ca -0.00 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2ayx h THR 935 Cb 0.35 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2ayx h THR 935 CO -0.03 0.21 -0.05 -0.07 0.37 0.00 0.00 175.52 175.95 2ayx h LEU 936 N 0.84 -0.12 -0.64 2.58 4.07 -1.14 -2.15 115.31 118.76 2ayx h LEU 936 Ca 0.22 -0.19 -0.10 0.00 0.08 0.00 0.00 57.88 57.88 2ayx h LEU 936 Cb 0.03 0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.78 2ayx h LEU 936 CO -0.04 0.13 -0.06 0.74 -1.08 0.00 0.00 178.44 178.13 2ayx h THR 937 N -0.37 1.26 -0.23 0.22 2.02 -0.83 0.21 112.91 115.21 2ayx h THR 937 Ca -0.01 -1.20 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 2ayx h THR 937 Cb 0.30 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 2ayx h THR 937 CO 0.02 0.43 0.12 0.25 0.37 0.00 0.00 175.52 176.71 2ayx h LEU 938 N 0.91 0.29 -0.23 2.58 6.46 -0.72 -1.03 115.31 123.57 2ayx h LEU 938 Ca 0.15 -0.10 -0.20 0.00 -0.12 0.00 0.00 57.88 57.60 2ayx h LEU 938 Cb 0.61 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 2ayx h LEU 938 CO 0.04 0.31 -0.92 1.88 -0.62 0.00 0.00 178.44 179.13 2ayx h TYR 939 N 0.25 0.29 -0.06 1.25 0.05 -1.30 -2.08 116.97 115.38 2ayx h TYR 939 Ca 0.08 -0.17 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 2ayx h TYR 939 Cb 0.09 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 37.80 2ayx h TYR 939 CO -0.03 1.00 0.03 0.00 -1.05 0.00 0.00 178.16 178.11 2ayx h ALA 940 N 0.94 0.07 -0.04 3.88 0.00 -0.81 0.05 119.26 123.35 2ayx h ALA 940 Ca -0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2ayx h ALA 940 Cb 1.56 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 2ayx h ALA 940 CO 0.14 -0.38 -0.34 1.05 0.00 0.00 0.00 179.25 179.72 2ayx h GLU 941 N -0.01 0.07 -0.03 0.00 4.11 -1.21 -1.72 114.58 115.79 2ayx h GLU 941 Ca 0.02 -0.03 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2ayx h GLU 941 Cb 0.09 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 2ayx h GLU 941 CO -0.00 0.41 -0.03 -0.09 0.07 0.00 0.00 179.01 179.36 2ayx h ARG 942 N 0.07 0.07 -0.14 1.06 9.65 -0.92 -0.02 114.38 124.13 2ayx h ARG 942 Ca 0.01 -0.04 -0.13 0.00 -1.10 0.00 0.00 59.98 58.72 2ayx h ARG 942 Cb 0.63 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.20 2ayx h ARG 942 CO 0.05 0.53 -0.49 -0.39 2.80 0.00 0.00 179.97 182.47 2ayx h VAL 943 N -0.39 1.33 0.00 0.20 -1.51 -0.96 -1.41 116.25 113.51 2ayx h VAL 943 Ca 0.00 -1.72 0.00 0.00 -1.23 0.00 0.00 66.70 63.76 2ayx h VAL 943 Cb 0.52 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 2ayx h VAL 943 CO 0.01 0.52 0.00 -0.09 -1.23 0.00 0.00 177.57 176.78 2ayx h ARG 944 N 0.30 0.00 0.00 5.19 1.12 -1.32 -2.73 114.38 116.94 2ayx h ARG 944 Ca 0.01 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.80 2ayx h ARG 944 Cb 0.98 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.92 2ayx h ARG 944 CO 0.08 0.00 -0.80 -0.22 -3.11 0.00 0.00 179.97 175.92 2ayx h LYS 945 N 0.00 0.00 -0.11 0.20 3.64 0.06 0.90 116.57 121.26 2ayx h LYS 945 Ca 0.00 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.15 2ayx h LYS 945 Cb 0.58 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2ayx h LYS 945 CO 0.00 0.25 -0.84 0.77 -2.27 0.00 0.00 179.45 177.36 2ayx h SER 946 N 0.00 0.92 0.00 4.20 0.02 -1.09 -3.07 113.55 114.54 2ayx h SER 946 Ca -0.05 -0.64 -0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2ayx h SER 946 Cb 1.30 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.57 2ayx h SER 946 CO 0.04 1.44 -0.00 0.03 -1.14 0.00 0.00 176.83 177.19 2ayx h ARG 947 N 0.50 -0.00 -4.65 3.45 3.08 -1.54 -3.41 114.38 111.80 2ayx h ARG 947 Ca -0.07 0.00 -0.68 0.00 0.07 0.00 0.00 59.98 59.30 2ayx h ARG 947 Cb 1.48 0.00 -0.37 0.00 0.08 0.00 0.00 29.97 31.16 2ayx h ARG 947 CO 0.17 0.64 -0.67 0.34 -1.07 0.00 0.00 179.97 179.38 2ayx s ASP 948 N -5.85 4.91 0.00 7.04 2.15 0.31 -5.11 116.67 120.12 2ayx s ASP 948 Ca -0.17 -1.91 0.24 0.00 0.43 0.00 0.00 52.55 51.14 2ayx s ASP 948 Cb 0.00 -1.70 1.43 0.00 -0.30 0.00 0.00 42.92 42.35 2ayx s ASP 948 CO 0.68 -0.40 1.79 -1.20 -0.17 0.00 0.00 175.17 175.88