#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 0.54 3.86 -5.12 0.00 -1.26 -5.05 105.19 98.17 2ayx n GLY 697 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.96 3.66 -0.02 0.00 -1.26 -4.93 105.19 104.60 2ayx n GLY 698 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 6.62 0.00 1.61 0.01 -1.26 -3.07 113.70 117.61 2ayx s SER 699 Ca 0.00 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.55 2ayx s SER 699 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2ayx s SER 699 CO 0.00 -0.96 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2ayx n GLY 700 N 4.22 1.27 0.00 3.44 0.00 -1.26 -5.13 105.19 107.72 2ayx n GLY 700 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2ayx n GLY 700 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ayx n VAL 701 N 0.00 0.00 -1.70 1.61 0.24 -1.17 -4.99 118.33 112.31 2ayx n VAL 701 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2ayx n VAL 701 Cb 0.00 -1.64 -0.03 0.00 -1.47 0.00 0.00 33.84 30.70 2ayx n VAL 701 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ayx n GLU 702 N -0.96 2.59 -3.00 7.34 4.71 -1.26 -4.94 120.64 125.12 2ayx n GLU 702 Ca 0.00 0.94 -0.40 0.00 -0.01 0.00 0.00 57.16 57.69 2ayx n GLU 702 Cb 0.00 -2.77 -0.05 0.00 -1.01 0.00 0.00 31.44 27.62 2ayx n GLU 702 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ayx s GLY 703 N 1.37 2.73 0.00 0.62 0.00 -1.26 -4.85 107.32 105.93 2ayx s GLY 703 Ca 0.77 0.24 0.00 0.00 0.00 0.00 0.00 44.72 45.73 2ayx s GLY 703 CO 0.35 1.15 0.00 -0.10 0.00 0.00 0.00 173.10 174.50 2ayx n LEU 704 N 3.21 0.00 -0.75 0.66 7.94 -1.26 -4.33 117.00 122.47 2ayx n LEU 704 Ca -0.02 0.00 0.09 0.00 -1.11 0.00 0.00 56.01 54.97 2ayx n LEU 704 Cb 0.51 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.41 2ayx n LEU 704 CO 0.47 0.00 -0.34 -1.20 -1.11 0.00 0.00 177.39 175.22 2ayx n SER 705 N 6.50 -4.06 0.00 1.96 7.64 -1.17 -4.87 113.62 119.62 2ayx n SER 705 Ca 0.00 0.76 0.00 0.00 1.01 0.00 0.00 58.87 60.64 2ayx n SER 705 Cb 0.00 -2.58 0.00 0.00 -1.01 0.00 0.00 64.21 60.62 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 -3.22 3.34 3.85 0.23 0.00 -0.41 -4.95 105.19 104.03 2ayx n GLY 706 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.69 3.97 0.24 1.61 -0.14 -1.25 -4.89 119.74 118.59 2ayx s LYS 707 Ca 0.00 0.83 0.06 0.00 -1.36 0.00 0.00 55.97 55.50 2ayx s LYS 707 Cb 0.00 -2.25 -0.03 0.00 -1.68 0.00 0.00 37.83 33.87 2ayx s LYS 707 CO 0.00 -0.11 0.26 1.03 -0.76 0.00 0.00 175.35 175.77 2ayx s ARG 708 N -3.68 3.14 -0.08 1.68 1.81 -1.26 -1.16 118.95 119.39 2ayx s ARG 708 Ca 0.57 -0.91 -0.03 0.00 -1.72 0.00 0.00 55.73 53.64 2ayx s ARG 708 Cb -0.10 -2.71 0.04 0.00 -0.45 0.00 0.00 34.95 31.74 2ayx s ARG 708 CO 0.26 0.42 0.13 0.00 -0.68 0.00 0.00 175.30 175.43 2ayx s TRP 710 N 2.26 3.30 -0.15 0.00 0.52 -0.83 -0.63 118.94 123.40 2ayx s TRP 710 Ca 0.04 0.32 0.02 0.00 0.02 0.00 0.00 56.10 56.49 2ayx s TRP 710 Cb -0.12 -2.38 0.01 0.00 -1.15 0.00 0.00 33.47 29.83 2ayx s TRP 710 CO -0.05 -0.03 -0.21 -0.48 0.02 0.00 0.00 176.95 176.20 2ayx s LEU 711 N 1.36 2.12 -0.43 2.99 2.34 -0.24 -0.84 118.68 125.99 2ayx s LEU 711 Ca 0.11 -0.62 0.05 0.00 0.06 0.00 0.00 54.13 53.72 2ayx s LEU 711 Cb -0.14 -1.46 0.56 0.00 -0.56 0.00 0.00 46.19 44.59 2ayx s LEU 711 CO 0.07 0.05 1.74 0.00 -1.06 0.00 0.00 176.35 177.15 2ayx n ALA 712 N 4.25 5.30 -2.54 1.48 0.00 0.68 -0.89 120.51 128.80 2ayx n ALA 712 Ca -0.20 -3.17 -0.41 0.00 0.00 0.00 0.00 53.44 49.65 2ayx n ALA 712 Cb 0.51 -1.19 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 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 -3.69 3.81 -0.23 0.00 1.01 -1.20 -2.46 120.40 117.64 2ayx s VAL 713 Ca 0.54 0.58 0.28 0.00 0.00 0.00 0.00 61.98 63.39 2ayx s VAL 713 Cb 0.46 -4.81 0.34 0.00 0.00 0.00 0.00 36.38 32.37 2ayx s VAL 713 CO 0.04 -1.63 1.82 0.03 0.00 0.00 0.00 175.10 175.37 2ayx h ARG 714 N 10.06 0.00 -6.57 2.72 3.08 -1.92 -3.42 114.38 118.33 2ayx h ARG 714 Ca -0.27 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.22 2ayx h ARG 714 Cb 1.06 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 31.05 2ayx h ARG 714 CO 1.24 0.00 0.99 1.21 -1.07 0.00 0.00 179.97 182.34 2ayx s ASN 715 N -5.37 6.53 0.26 7.04 3.84 -1.26 -4.91 114.94 121.08 2ayx s ASN 715 Ca 0.04 0.75 -0.03 0.00 0.21 0.00 0.00 52.86 53.83 2ayx s ASN 715 Cb 0.09 -2.54 0.33 0.00 -0.55 0.00 0.00 41.25 38.57 2ayx s ASN 715 CO 0.54 -1.29 1.81 0.00 -2.79 0.00 0.00 177.10 175.38 2ayx h ALA 716 N 9.79 1.17 -0.17 1.71 0.00 -1.98 0.60 119.26 130.37 2ayx h ALA 716 Ca -0.25 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2ayx h ALA 716 Cb 1.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2ayx h ALA 716 CO 1.09 0.58 0.01 0.77 0.00 0.00 0.00 179.25 181.70 2ayx h SER 717 N 0.90 0.29 -0.27 0.00 0.02 -1.96 -0.46 113.55 112.07 2ayx h SER 717 Ca 0.20 -0.29 -0.10 0.00 -0.84 0.00 0.00 61.79 60.76 2ayx h SER 717 Cb 0.27 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2ayx h SER 717 CO -0.01 0.51 -0.21 0.25 -1.14 0.00 0.00 176.83 176.23 2ayx h LEU 718 N 0.06 0.66 -0.23 5.07 6.46 -1.83 -2.66 115.31 122.84 2ayx h LEU 718 Ca 0.05 -0.45 -0.03 0.00 -0.12 0.00 0.00 57.88 57.33 2ayx h LEU 718 Cb 0.36 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 2ayx h LEU 718 CO 0.01 0.97 0.03 0.00 -0.62 0.00 0.00 178.44 178.82 2ayx h GLN 720 N 0.18 0.84 0.74 0.00 4.15 -1.14 -0.19 115.11 119.69 2ayx h GLN 720 Ca 0.07 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2ayx h GLN 720 Cb 0.35 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2ayx h GLN 720 CO 0.01 0.65 -0.38 0.35 -1.93 0.00 0.00 178.83 177.53 2ayx h PHE 721 N 0.82 -0.99 -0.49 3.99 3.57 -1.32 -1.14 116.94 121.38 2ayx h PHE 721 Ca 0.21 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.74 2ayx h PHE 721 Cb 0.05 0.33 -0.05 0.00 2.79 0.00 0.00 35.95 39.08 2ayx h PHE 721 CO -0.01 -0.60 0.23 -0.07 -2.23 0.00 0.00 178.31 175.63 2ayx h LEU 722 N -1.02 0.31 -0.97 0.59 3.38 -1.23 -1.91 115.31 114.46 2ayx h LEU 722 Ca -0.10 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.92 2ayx h LEU 722 Cb 0.80 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.48 2ayx h LEU 722 CO 0.15 0.21 0.64 1.05 0.09 0.00 0.00 178.44 180.58 2ayx h GLU 723 N 0.45 1.26 -0.36 1.13 4.11 -0.91 -1.38 114.58 118.88 2ayx h GLU 723 Ca 0.22 -0.08 -0.08 0.00 0.07 0.00 0.00 59.36 59.49 2ayx h GLU 723 Cb 0.16 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2ayx h GLU 723 CO -0.18 0.84 -0.10 1.15 0.07 0.00 0.00 179.01 180.79 2ayx h THR 724 N 1.30 1.28 -0.22 -1.06 2.02 -0.68 -0.47 112.91 115.08 2ayx h THR 724 Ca 0.36 -1.17 -0.05 0.00 0.77 0.00 0.00 66.41 66.32 2ayx h THR 724 Cb -0.14 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2ayx h THR 724 CO -0.08 0.39 -0.09 0.28 0.37 0.00 0.00 175.52 176.39 2ayx h SER 725 N 0.49 0.32 0.10 4.18 0.02 -0.93 -2.34 113.55 115.38 2ayx h SER 725 Ca 0.09 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.80 2ayx h SER 725 Cb 0.61 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.07 2ayx h SER 725 CO 0.04 0.45 -0.83 -0.07 -1.14 0.00 0.00 176.83 175.27 2ayx h LEU 726 N 0.33 0.32 -2.09 5.07 3.38 -1.11 -3.33 115.31 117.89 2ayx h LEU 726 Ca 0.07 -0.91 -0.01 0.00 0.09 0.00 0.00 57.88 57.12 2ayx h LEU 726 Cb 0.36 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ayx h LEU 726 CO 0.02 1.38 -0.06 0.06 0.09 0.00 0.00 178.44 179.93 2ayx h GLN 727 N -0.52 0.00 0.00 1.13 3.07 -0.98 -0.17 115.11 117.64 2ayx h GLN 727 Ca -0.17 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.56 2ayx h GLN 727 Cb 1.52 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.08 2ayx h GLN 727 CO 0.07 0.06 -0.05 0.07 0.09 0.00 0.00 178.83 179.07 2ayx h ARG 728 N 0.00 0.00 -0.61 0.06 0.11 -1.52 -1.15 114.38 111.26 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 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 2ayx h ARG 728 CO 0.01 0.05 0.00 0.43 0.10 0.00 0.00 179.97 180.56 2ayx n SER 729 N -3.30 4.96 0.00 0.08 7.64 -0.10 -4.90 113.62 118.00 2ayx n SER 729 Ca -0.01 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.29 2ayx n SER 729 Cb 0.22 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 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 0.94 0.55 3.43 0.23 0.00 -0.44 -3.02 105.19 106.88 2ayx n GLY 730 Ca 0.26 -0.44 -0.44 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.00 4.94 -0.33 -0.61 -1.09 -1.08 -1.29 121.20 119.74 2ayx s ILE 731 Ca 0.00 -0.62 -0.28 0.00 -2.23 0.00 0.00 60.65 57.52 2ayx s ILE 731 Cb 0.00 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.60 2ayx s ILE 731 CO 0.00 -0.77 1.73 0.54 -1.23 0.00 0.00 174.94 175.21 2ayx s VAL 732 N 2.44 3.55 0.01 2.92 0.11 -0.31 -2.98 120.40 126.13 2ayx s VAL 732 Ca 0.13 0.56 -0.22 0.00 -2.93 0.00 0.00 61.98 59.52 2ayx s VAL 732 Cb -0.20 -3.73 -0.05 0.00 -1.53 0.00 0.00 36.38 30.87 2ayx s VAL 732 CO 0.11 -0.46 0.65 0.68 -3.33 0.00 0.00 175.10 172.75 2ayx s VAL 733 N 6.58 4.86 -0.00 2.04 -7.23 -1.26 -0.97 120.40 124.41 2ayx s VAL 733 Ca 0.77 1.37 0.00 0.00 -1.81 0.00 0.00 61.98 62.32 2ayx s VAL 733 Cb -0.21 -3.99 0.00 0.00 0.56 0.00 0.00 36.38 32.73 2ayx s VAL 733 CO 0.34 0.39 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.62 2ayx s THR 734 N -0.11 0.13 -0.01 5.32 2.01 0.19 -4.95 115.64 118.22 2ayx s THR 734 Ca 0.34 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.98 2ayx s THR 734 Cb -0.19 -0.12 -0.06 0.00 0.01 0.00 0.00 72.50 72.14 2ayx s THR 734 CO 0.19 0.04 1.49 -0.89 -0.69 0.00 0.00 174.62 174.77 2ayx s THR 735 N 0.05 3.61 -0.65 -0.82 2.01 -1.26 -1.08 115.64 117.50 2ayx s THR 735 Ca -0.00 0.93 -0.25 0.00 0.31 0.00 0.00 61.69 62.68 2ayx s THR 735 Cb -0.02 -3.60 0.05 0.00 0.01 0.00 0.00 72.50 68.94 2ayx s THR 735 CO -0.00 -0.03 1.07 -0.47 -0.69 0.00 0.00 174.62 174.50 2ayx s TYR 736 N 2.92 2.58 -0.27 4.92 5.04 -0.07 -4.80 117.35 127.66 2ayx s TYR 736 Ca 0.67 -0.21 -0.15 0.00 -2.44 0.00 0.00 57.07 54.95 2ayx s TYR 736 Cb -0.33 -4.36 -0.12 0.00 0.35 0.00 0.00 41.96 37.50 2ayx s TYR 736 CO 0.27 -1.71 -0.32 0.39 -1.34 0.00 0.00 175.55 172.85 2ayx n GLU 737 N 8.21 0.59 -2.27 4.97 -0.58 -1.26 -4.65 120.64 125.64 2ayx n GLU 737 Ca 0.00 0.28 -0.02 0.00 -0.42 0.00 0.00 57.16 57.00 2ayx n GLU 737 Cb 0.47 -1.51 0.06 0.00 -0.57 0.00 0.00 31.44 29.89 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ayx n GLY 738 N 1.27 0.47 3.95 0.62 0.00 -1.26 -5.16 105.19 105.09 2ayx n GLY 738 Ca -0.51 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 0.08 1.57 0.30 1.61 1.11 -1.26 -5.06 119.66 118.00 2ayx s GLN 739 Ca 0.07 -0.62 -0.21 0.00 0.01 0.00 0.00 55.36 54.60 2ayx s GLN 739 Cb 0.23 -2.14 -0.09 0.00 -1.01 0.00 0.00 33.01 29.99 2ayx s GLN 739 CO -0.06 -1.64 0.82 -1.83 0.01 0.00 0.00 175.29 172.58 2ayx s GLU 740 N -5.38 4.30 0.30 2.91 -1.05 -1.26 -5.06 118.70 113.46 2ayx s GLU 740 Ca 0.66 0.99 -0.20 0.00 -0.15 0.00 0.00 54.97 56.28 2ayx s GLU 740 Cb -0.07 -2.69 -0.09 0.00 -0.44 0.00 0.00 34.13 30.84 2ayx s GLU 740 CO 0.47 0.26 0.80 -1.25 0.95 0.00 0.00 175.26 176.49 2ayx s PRO 741 N -2.33 4.24 0.01 -4.83 0.04 -1.26 -5.09 135.00 125.77 2ayx s PRO 741 Ca 0.49 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.50 2ayx s PRO 741 Cb -0.15 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 2ayx s PRO 741 CO 0.20 0.24 -0.09 0.99 0.04 0.00 0.00 177.00 178.38 2ayx s THR 742 N -1.77 0.73 -1.08 1.26 2.01 -1.26 -5.02 115.64 110.51 2ayx s THR 742 Ca 0.50 -0.54 0.10 0.00 0.31 0.00 0.00 61.69 62.06 2ayx s THR 742 Cb -0.14 -0.64 0.10 0.00 0.01 0.00 0.00 72.50 71.83 2ayx s THR 742 CO 0.19 0.10 1.29 -0.81 -0.69 0.00 0.00 174.62 174.70 2ayx n PRO 743 N 2.58 0.03 0.00 4.92 -0.04 -1.26 -1.08 135.00 140.14 2ayx n PRO 743 Ca -0.15 0.31 0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2ayx n PRO 743 Cb 0.56 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.46 1.62 -4.02 0.54 -0.58 -1.26 -2.82 120.64 112.67 2ayx n GLU 744 Ca 0.03 -0.91 -0.34 0.00 -0.42 0.00 0.00 57.16 55.52 2ayx n GLU 744 Cb 0.11 -1.24 -0.06 0.00 -0.57 0.00 0.00 31.44 29.67 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayx s ASP 745 N -1.63 6.00 -0.05 1.62 1.01 -0.24 -4.76 116.67 118.61 2ayx s ASP 745 Ca 0.13 0.27 0.04 0.00 0.71 0.00 0.00 52.55 53.71 2ayx s ASP 745 Cb 0.12 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 42.20 2ayx s ASP 745 CO 0.32 0.31 -0.16 0.54 0.21 0.00 0.00 175.17 176.39 2ayx s VAL 746 N -1.18 2.93 -0.37 -1.27 0.11 -1.26 -1.00 120.40 118.37 2ayx s VAL 746 Ca 0.22 -0.77 -0.11 0.00 -2.93 0.00 0.00 61.98 58.39 2ayx s VAL 746 Cb -0.12 -2.14 0.02 0.00 -1.53 0.00 0.00 36.38 32.62 2ayx s VAL 746 CO 0.12 0.59 0.21 -0.22 -3.33 0.00 0.00 175.10 172.47 2ayx s LEU 747 N -0.66 4.68 -0.46 2.54 0.20 -0.07 -1.97 118.68 122.95 2ayx s LEU 747 Ca 0.10 -0.94 -0.17 0.00 0.69 0.00 0.00 54.13 53.81 2ayx s LEU 747 Cb -0.11 -2.03 0.04 0.00 -0.43 0.00 0.00 46.19 43.67 2ayx s LEU 747 CO 0.01 -0.37 0.46 -0.63 -0.29 0.00 0.00 176.35 175.53 2ayx s ILE 748 N 1.57 5.09 0.05 6.68 1.01 -0.02 -0.64 121.20 134.94 2ayx s ILE 748 Ca 0.02 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2ayx s ILE 748 Cb -0.19 -4.12 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2ayx s ILE 748 CO 0.07 -0.56 0.09 0.42 0.00 0.00 0.00 174.94 174.97 2ayx s THR 749 N 2.09 4.68 -0.44 2.92 -4.23 0.17 -0.23 115.64 120.60 2ayx s THR 749 Ca 0.10 -0.61 -0.17 0.00 -1.18 0.00 0.00 61.69 59.82 2ayx s THR 749 Cb -0.20 -3.22 0.03 0.00 1.34 0.00 0.00 72.50 70.45 2ayx s THR 749 CO 0.11 0.20 0.47 -0.62 -0.54 0.00 0.00 174.62 174.24 2ayx s ASP 750 N -2.20 6.20 0.85 3.99 2.15 -1.03 -0.84 116.67 125.80 2ayx s ASP 750 Ca 0.28 -0.77 0.00 0.00 0.43 0.00 0.00 52.55 52.49 2ayx s ASP 750 Cb -0.12 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2ayx s ASP 750 CO 0.20 -0.64 0.00 -0.62 -0.17 0.00 0.00 175.17 173.94 2ayx n GLU 751 N 5.67 0.00 -2.72 4.34 -0.58 0.30 -4.66 120.64 122.99 2ayx n GLU 751 Ca -0.07 0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.25 2ayx n GLU 751 Cb 0.47 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.30 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 4.55 -0.01 2.62 1.01 -1.26 -4.67 120.40 122.64 2ayx s VAL 752 Ca 0.00 2.06 0.07 0.00 0.00 0.00 0.00 61.98 64.11 2ayx s VAL 752 Cb 0.00 -4.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 2ayx s VAL 752 CO 0.00 0.29 -0.22 0.54 0.00 0.00 0.00 175.10 175.71 2ayx s VAL 753 N 0.18 2.42 -0.64 2.92 0.11 -1.26 -5.03 120.40 119.10 2ayx s VAL 753 Ca 0.48 -1.06 -0.06 0.00 -2.93 0.00 0.00 61.98 58.41 2ayx s VAL 753 Cb -0.23 -1.91 -0.05 0.00 -1.53 0.00 0.00 36.38 32.65 2ayx s VAL 753 CO 0.30 0.52 3.00 -1.54 -3.33 0.00 0.00 175.10 174.05 2ayx n SER 754 N 2.19 6.72 -3.65 3.54 3.41 -1.26 -4.80 113.62 119.76 2ayx n SER 754 Ca -0.16 -2.87 -0.09 0.00 -0.26 0.00 0.00 58.87 55.48 2ayx n SER 754 Cb 0.52 -1.36 -0.08 0.00 -0.26 0.00 0.00 64.21 63.02 2ayx n SER 754 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2ayx s LYS 755 N -0.19 0.65 -1.15 4.33 2.20 -1.26 -5.08 119.74 119.24 2ayx s LYS 755 Ca 0.62 1.08 -0.14 0.00 -0.36 0.00 0.00 55.97 57.17 2ayx s LYS 755 Cb 0.30 0.15 0.18 0.00 -1.51 0.00 0.00 37.83 36.94 2ayx s LYS 755 CO -0.11 -0.14 1.34 0.21 -0.36 0.00 0.00 175.35 176.29 2ayx s LYS 756 N 1.36 4.02 0.05 4.03 2.47 -1.26 -5.00 119.74 125.42 2ayx s LYS 756 Ca -0.08 -2.53 -0.31 0.00 -1.56 0.00 0.00 55.97 51.50 2ayx s LYS 756 Cb -0.06 -4.97 -0.08 0.00 -1.46 0.00 0.00 37.83 31.26 2ayx s LYS 756 CO -0.15 -1.70 1.64 -0.46 0.16 0.00 0.00 175.35 174.84 2ayx s TRP 757 N 1.40 2.39 -0.47 4.03 -0.11 -1.26 -4.93 118.94 119.99 2ayx s TRP 757 Ca 0.39 0.33 0.09 0.00 1.22 0.00 0.00 56.10 58.13 2ayx s TRP 757 Cb -0.04 -3.95 0.32 0.00 -1.50 0.00 0.00 33.47 28.30 2ayx s TRP 757 CO -0.02 -3.80 0.77 1.04 -4.62 0.00 0.00 176.95 170.31 2ayx n GLN 758 N 5.74 1.82 0.00 5.86 1.13 -1.26 -4.87 117.38 125.81 2ayx n GLN 758 Ca 0.16 -3.97 0.00 0.00 -1.94 0.00 0.00 57.00 51.25 2ayx n GLN 758 Cb 0.41 -1.86 0.00 0.00 0.11 0.00 0.00 30.24 28.89 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ayx n GLY 759 N 0.34 1.05 0.07 1.08 0.00 -1.26 -4.77 105.19 101.71 2ayx n GLY 759 Ca 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 0.02 -2.18 1.61 2.43 -0.90 -3.43 114.38 111.93 2ayx h ARG 760 Ca 0.00 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.30 2ayx h ARG 760 Cb 0.00 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 29.44 2ayx h ARG 760 CO 0.00 0.94 0.54 0.00 -1.51 0.00 0.00 179.97 179.94 2ayx s ALA 761 N -2.54 -1.81 -0.04 2.80 0.00 -1.22 -4.70 121.76 114.25 2ayx s ALA 761 Ca -0.18 0.68 -0.01 0.00 0.00 0.00 0.00 51.96 52.45 2ayx s ALA 761 Cb -0.02 0.46 0.03 0.00 0.00 0.00 0.00 23.12 23.60 2ayx s ALA 761 CO 0.70 -0.85 0.08 0.54 0.00 0.00 0.00 175.76 176.22 2ayx s VAL 762 N -3.08 -0.09 -0.23 0.00 0.11 0.22 -0.89 120.40 116.44 2ayx s VAL 762 Ca 0.09 0.27 0.02 0.00 -2.93 0.00 0.00 61.98 59.43 2ayx s VAL 762 Cb -0.01 -0.15 0.04 0.00 -1.53 0.00 0.00 36.38 34.73 2ayx s VAL 762 CO -0.04 0.11 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.01 2ayx s VAL 763 N 1.48 2.19 -0.37 2.04 1.01 0.19 -0.69 120.40 126.24 2ayx s VAL 763 Ca -0.05 -1.29 -0.17 0.00 0.00 0.00 0.00 61.98 60.48 2ayx s VAL 763 Cb -0.12 -2.12 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2ayx s VAL 763 CO -0.04 0.23 0.46 -0.89 0.00 0.00 0.00 175.10 174.86 2ayx s THR 764 N 1.20 5.07 -0.48 3.92 2.01 0.16 -0.66 115.64 126.86 2ayx s THR 764 Ca -0.02 0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.76 2ayx s THR 764 Cb -0.17 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.41 2ayx s THR 764 CO -0.08 -0.27 0.95 -0.36 -0.69 0.00 0.00 174.62 174.17 2ayx s PHE 765 N 2.24 2.89 0.20 4.92 0.40 -0.02 -1.17 117.98 127.44 2ayx s PHE 765 Ca 0.15 0.34 -0.01 0.00 -0.60 0.00 0.00 56.93 56.81 2ayx s PHE 765 Cb -0.16 -4.03 -0.04 0.00 0.51 0.00 0.00 43.02 39.30 2ayx s PHE 765 CO 0.13 -1.16 0.39 0.00 0.70 0.00 0.00 175.22 175.28 2ayx n ARG 767 N -0.56 0.00 -1.22 0.00 1.85 -1.26 -2.81 116.66 112.65 2ayx n ARG 767 Ca -0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 57.85 56.79 2ayx n ARG 767 Cb 0.53 -0.49 0.01 0.00 -1.05 0.00 0.00 32.46 31.46 2ayx n ARG 767 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2ayx n ARG 768 N -1.30 0.21 0.00 2.89 0.63 -1.26 -5.05 116.66 112.78 2ayx n ARG 768 Ca 0.00 -0.37 0.00 0.00 -0.92 0.00 0.00 57.85 56.56 2ayx n ARG 768 Cb 0.00 0.34 0.00 0.00 0.45 0.00 0.00 32.46 33.25 2ayx n ARG 768 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2ayx n HIS 769 N -0.24 0.00 -2.34 -0.14 8.25 -1.26 -5.14 115.22 114.35 2ayx n HIS 769 Ca -0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.34 2ayx n HIS 769 Cb 0.50 0.34 -0.04 0.00 1.12 0.00 0.00 29.99 31.92 2ayx n HIS 769 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2ayx n ILE 770 N -2.29-11.07 -0.13 1.59 5.41 -1.26 -5.01 119.36 106.60 2ayx n ILE 770 Ca 0.00 2.30 0.00 0.00 1.00 0.00 0.00 62.75 66.05 2ayx n ILE 770 Cb 0.00 -5.92 0.00 0.00 -0.71 0.00 0.00 39.64 33.01 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 1.39 0.06 3.79 7.39 0.00 -1.26 -5.01 105.19 111.54 2ayx n GLY 771 Ca -0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.37 4.73 0.00 -0.61 1.09 -1.26 -5.04 121.20 119.75 2ayx s ILE 772 Ca 0.00 -0.47 0.00 0.00 -1.10 0.00 0.00 60.65 59.08 2ayx s ILE 772 Cb 0.00 -3.19 0.00 0.00 -1.06 0.00 0.00 42.46 38.21 2ayx s ILE 772 CO 0.00 0.30 0.00 -2.65 -0.10 0.00 0.00 174.94 172.49 2ayx n PRO 773 N 1.01 0.00 -3.38 2.79 -0.02 -1.26 -5.04 135.00 129.10 2ayx n PRO 773 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 2ayx n PRO 773 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 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 -4.80 117.00 109.91 2ayx n LEU 774 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.59 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 1.54 -0.62 -0.00 0.00 0.00 177.39 178.31 2ayx n GLU 775 N 0.00 0.21 0.00 1.47 4.71 -0.66 -3.43 120.64 122.94 2ayx n GLU 775 Ca 0.00 -1.08 0.00 0.00 -0.01 0.00 0.00 57.16 56.07 2ayx n GLU 775 Cb 0.00 -2.52 0.00 0.00 -1.01 0.00 0.00 31.44 27.91 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 7.64 0.07 -4.36 3.49 2.85 -1.26 -5.04 118.16 121.55 2ayx n LYS 776 Ca 0.44 -0.34 -0.19 0.00 -1.05 0.00 0.00 58.31 57.18 2ayx n LYS 776 Cb 0.39 -0.52 -0.10 0.00 -0.65 0.00 0.00 35.03 34.14 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 -0.03 2.01 -0.68 0.58 0.00 -1.22 -5.04 121.76 117.38 2ayx s ALA 777 Ca 0.00 -1.73 -0.17 0.00 0.00 0.00 0.00 51.96 50.05 2ayx s ALA 777 Cb 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 23.12 23.10 2ayx s ALA 777 CO 0.00 -0.05 1.88 -0.35 0.00 0.00 0.00 175.76 177.24 2ayx n PRO 778 N -0.43 1.41 0.00 0.00 -0.04 -1.26 -2.80 135.00 131.88 2ayx n PRO 778 Ca -0.07 -1.57 0.00 0.00 -0.04 0.00 0.00 63.50 61.82 2ayx n PRO 778 Cb 0.62 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 2ayx n PRO 778 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ayx n GLY 779 N 4.33 1.88 3.33 0.55 0.00 -1.26 -4.90 105.19 109.12 2ayx n GLY 779 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.07 3.31 0.02 1.61 2.12 -1.12 -0.61 118.70 123.96 2ayx s GLU 780 Ca 0.00 -0.72 0.03 0.00 0.36 0.00 0.00 54.97 54.63 2ayx s GLU 780 Cb 0.00 -2.59 -0.01 0.00 0.26 0.00 0.00 34.13 31.79 2ayx s GLU 780 CO 0.00 0.17 -0.09 -1.58 -0.54 0.00 0.00 175.26 173.22 2ayx s TRP 781 N 0.45 0.75 0.06 5.30 0.52 0.13 -1.65 118.94 124.50 2ayx s TRP 781 Ca -0.11 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 55.75 2ayx s TRP 781 Cb -0.16 -0.46 -0.03 0.00 -1.15 0.00 0.00 33.47 31.67 2ayx s TRP 781 CO 0.05 -0.02 -0.09 0.14 0.02 0.00 0.00 176.95 177.04 2ayx s VAL 782 N -0.71 0.72 -0.30 4.03 -7.23 -1.26 -0.67 120.40 114.98 2ayx s VAL 782 Ca -0.02 -1.29 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 2ayx s VAL 782 Cb -0.06 -0.91 0.13 0.00 0.56 0.00 0.00 36.38 36.10 2ayx s VAL 782 CO 0.00 -0.43 0.76 -2.28 -0.31 0.00 0.00 175.10 172.84 2ayx s HIS 783 N -1.74 -1.10 -0.63 2.82 2.46 -0.31 -4.90 115.29 111.88 2ayx s HIS 783 Ca -0.04 1.96 -0.22 0.00 0.47 0.00 0.00 55.06 57.23 2ayx s HIS 783 Cb -0.07 0.66 0.07 0.00 -0.13 0.00 0.00 32.58 33.11 2ayx s HIS 783 CO 0.00 -0.55 0.93 -1.12 -2.47 0.00 0.00 174.74 171.53 2ayx s SER 784 N 2.54 6.19 0.00 9.88 0.01 -1.26 -1.11 113.70 129.95 2ayx s SER 784 Ca -0.06 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.25 2ayx s SER 784 Cb -0.09 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2ayx s SER 784 CO -0.19 -1.37 0.00 0.55 0.41 0.00 0.00 173.24 172.64 2ayx n VAL 785 N 5.91 0.00 -1.33 3.43 3.14 -1.13 -4.91 118.33 123.45 2ayx n VAL 785 Ca -0.04 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 61.12 2ayx n VAL 785 Cb 0.45 0.00 0.16 0.00 -1.06 0.00 0.00 33.84 33.39 2ayx n VAL 785 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ayx n ALA 786 N -0.07 5.45 -3.16 1.55 0.00 -1.26 -4.71 120.51 118.31 2ayx n ALA 786 Ca 0.00 -3.10 -0.04 0.00 0.00 0.00 0.00 53.44 50.30 2ayx n ALA 786 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.09 -2.56 0.03 0.00 0.00 -1.26 -4.89 120.51 110.74 2ayx n ALA 787 Ca 0.54 0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.87 2ayx n ALA 787 Cb 1.33 -1.48 -0.08 0.00 0.00 0.00 0.00 19.45 19.21 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 0.43 -0.02 0.00 0.00 0.11 -2.02 -3.46 132.00 127.04 2ayx h PRO 788 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2ayx h PRO 788 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2ayx h PRO 788 CO 0.31 0.15 0.00 -2.39 -0.21 0.00 0.00 178.00 175.86 2ayx n HIS 789 N -5.02 0.00 -0.03 0.65 1.44 -1.26 -5.03 115.22 105.97 2ayx n HIS 789 Ca -0.08 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.50 2ayx n HIS 789 Cb 0.11 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.11 2ayx n HIS 789 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 2ayx h GLU 790 N 0.00 -0.01 -0.17 -1.40 -0.00 -1.99 -2.58 114.58 108.43 2ayx h GLU 790 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 59.34 2ayx h GLU 790 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.75 2ayx h GLU 790 CO 0.00 0.67 0.02 -0.07 -0.00 0.00 0.00 179.01 179.64 2ayx h LEU 791 N -0.73 0.27 -1.80 3.06 3.38 -1.96 0.25 115.31 117.79 2ayx h LEU 791 Ca -0.00 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.75 2ayx h LEU 791 Cb 0.70 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2ayx h LEU 791 CO 0.00 0.47 0.23 1.55 0.09 0.00 0.00 178.44 180.78 2ayx h PRO 792 N 0.06 0.25 -0.24 1.13 0.13 -1.91 -1.32 132.00 130.10 2ayx h PRO 792 Ca 0.05 -0.01 -0.15 0.00 -0.87 0.00 0.00 66.00 65.01 2ayx h PRO 792 Cb 0.32 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 2ayx h PRO 792 CO 0.00 0.16 -0.48 0.00 -0.23 0.00 0.00 178.00 177.46 2ayx h ALA 793 N 1.82 0.71 -0.71 -0.56 0.00 -1.00 -2.34 119.26 117.18 2ayx h ALA 793 Ca 0.15 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2ayx h ALA 793 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2ayx h ALA 793 CO -0.03 0.67 0.39 1.25 0.00 0.00 0.00 179.25 181.54 2ayx h LEU 794 N 0.51 0.88 -0.76 0.00 7.12 0.02 -0.74 115.31 122.35 2ayx h LEU 794 Ca 0.03 -0.09 0.01 0.00 0.13 0.00 0.00 57.88 57.96 2ayx h LEU 794 Cb 1.02 -0.22 -0.04 0.00 -0.53 0.00 0.00 40.66 40.89 2ayx h LEU 794 CO 0.10 0.72 0.50 -0.07 -0.13 0.00 0.00 178.44 179.55 2ayx h LEU 795 N 0.97 0.85 -0.90 2.25 3.38 -1.11 0.12 115.31 120.87 2ayx h LEU 795 Ca 0.25 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 2ayx h LEU 795 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 2ayx h LEU 795 CO -0.04 0.61 0.06 0.00 0.09 0.00 0.00 178.44 179.16 2ayx h ALA 796 N 1.29 1.09 0.00 1.53 0.00 -0.99 -2.08 119.26 120.10 2ayx h ALA 796 Ca 0.28 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2ayx h ALA 796 Cb -0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2ayx h ALA 796 CO -0.07 0.59 -0.33 0.07 0.00 0.00 0.00 179.25 179.50 2ayx h ARG 797 N 0.82 0.00 -0.28 0.00 -0.00 -0.39 -1.34 114.38 113.19 2ayx h ARG 797 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 59.98 60.02 2ayx h ARG 797 Cb 0.40 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.36 2ayx h ARG 797 CO 0.01 0.33 -0.36 0.82 -0.00 0.00 0.00 179.97 180.77 2ayx h ILE 798 N 0.00 1.29 0.00 0.08 2.04 -0.33 -2.37 117.51 118.21 2ayx h ILE 798 Ca -0.00 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.34 2ayx h ILE 798 Cb 0.77 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 2ayx h ILE 798 CO 0.04 0.48 0.00 1.88 0.00 0.00 0.00 178.15 180.56 2ayx h TYR 799 N 0.52 0.00 0.00 1.37 0.05 -0.97 -3.47 116.97 114.48 2ayx h TYR 799 Ca 0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.83 2ayx h TYR 799 Cb 0.87 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.61 2ayx h TYR 799 CO 0.04 0.00 0.00 -0.11 -1.05 0.00 0.00 178.16 177.04 2ayx n LEU 800 N -2.86 0.00 -3.50 3.88 7.94 -0.55 -4.38 117.00 117.53 2ayx n LEU 800 Ca 0.04 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.72 2ayx n LEU 800 Cb 0.44 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.45 2ayx n LEU 800 CO 0.31 0.00 -0.02 -0.38 -1.11 0.00 0.00 177.39 176.19 2ayx n ILE 801 N 0.00 -6.89 1.94 1.96 5.41 -1.26 -4.87 119.36 115.65 2ayx n ILE 801 Ca 0.00 -0.98 0.16 0.00 1.00 0.00 0.00 62.75 62.93 2ayx n ILE 801 Cb 0.00 -5.14 0.93 0.00 -0.71 0.00 0.00 39.64 34.72 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 -3.83 0.95 -0.94 0.38 1.02 -1.26 -4.86 120.64 112.10 2ayx n GLU 802 Ca -0.15 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.11 2ayx n GLU 802 Cb 0.63 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.49 2ayx n GLU 802 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2ayx n MET 803 N -1.02 -2.17 -0.66 3.49 2.81 -1.26 -5.05 117.12 113.25 2ayx n MET 803 Ca 0.23 1.76 0.00 0.00 -1.81 0.00 0.00 57.70 57.88 2ayx n MET 803 Cb 0.12 -2.54 0.00 0.00 -0.71 0.00 0.00 33.22 30.09 2ayx n MET 803 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2ayx n GLU 804 N -3.56 3.05 -2.39 0.03 -0.58 -1.26 -4.97 120.64 110.96 2ayx n GLU 804 Ca -0.06 0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.44 2ayx n GLU 804 Cb 0.45 0.00 0.08 0.00 -0.57 0.00 0.00 31.44 31.40 2ayx n GLU 804 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2ayx s SER 805 N -0.01 4.64 -1.04 1.62 0.01 -1.26 -4.97 113.70 112.69 2ayx s SER 805 Ca 0.00 0.10 -0.23 0.00 1.31 0.00 0.00 55.95 57.14 2ayx s SER 805 Cb 0.00 -0.68 0.02 0.00 0.21 0.00 0.00 66.02 65.58 2ayx s SER 805 CO 0.00 -1.67 1.63 -0.62 0.41 0.00 0.00 173.24 172.99 2ayx s ASP 806 N -4.59 6.17 -0.11 2.44 2.15 -1.26 -4.94 116.67 116.53 2ayx s ASP 806 Ca 0.62 -1.44 -0.33 0.00 0.43 0.00 0.00 52.55 51.84 2ayx s ASP 806 Cb -0.09 -2.57 -0.10 0.00 -0.30 0.00 0.00 42.92 39.86 2ayx s ASP 806 CO 0.44 -1.82 1.98 -0.67 -0.17 0.00 0.00 175.17 174.93 2ayx n ASP 807 N 10.24 3.42 -4.65 -0.34 2.03 -1.26 -4.89 116.55 121.09 2ayx n ASP 807 Ca 0.38 0.80 -0.42 0.00 0.52 0.00 0.00 54.79 56.06 2ayx n ASP 807 Cb 0.49 -1.41 -0.03 0.00 -0.72 0.00 0.00 41.12 39.45 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 4.69 4.07 0.83 -0.67 0.04 -1.26 -4.99 135.00 137.70 2ayx s PRO 808 Ca 0.95 2.19 -0.12 0.00 0.04 0.00 0.00 61.00 64.06 2ayx s PRO 808 Cb -0.62 -4.05 0.09 0.00 0.04 0.00 0.00 34.50 29.97 2ayx s PRO 808 CO 0.48 -0.99 1.10 0.00 0.04 0.00 0.00 177.00 177.62 2ayx s ALA 809 N 4.49 2.06 -1.02 8.56 0.00 -1.26 -4.98 121.76 129.61 2ayx s ALA 809 Ca 0.77 -0.20 -0.12 0.00 0.00 0.00 0.00 51.96 52.41 2ayx s ALA 809 Cb -0.34 -3.12 0.23 0.00 0.00 0.00 0.00 23.12 19.89 2ayx s ALA 809 CO 0.32 -1.91 1.05 1.21 0.00 0.00 0.00 175.76 176.43 2ayx s ASN 810 N -3.81 7.05 0.03 0.00 3.84 -1.26 -5.02 114.94 115.77 2ayx s ASN 810 Ca 0.62 -3.09 -0.14 0.00 0.21 0.00 0.00 52.86 50.45 2ayx s ASN 810 Cb -0.15 -2.25 -0.06 0.00 -0.55 0.00 0.00 41.25 38.24 2ayx s ASN 810 CO 0.55 -0.51 0.43 0.00 -2.79 0.00 0.00 177.10 174.78 2ayx s ALA 811 N -0.07 3.68 0.10 1.71 0.00 -1.26 -5.07 121.76 120.86 2ayx s ALA 811 Ca 0.29 -0.21 -0.25 0.00 0.00 0.00 0.00 51.96 51.78 2ayx s ALA 811 Cb -0.09 -2.40 -0.07 0.00 0.00 0.00 0.00 23.12 20.57 2ayx s ALA 811 CO -0.07 0.48 0.79 -0.51 0.00 0.00 0.00 175.76 176.45 2ayx s LEU 812 N -1.24 4.52 0.00 0.00 1.02 -1.26 -5.08 118.68 116.64 2ayx s LEU 812 Ca 0.26 1.56 0.00 0.00 0.02 0.00 0.00 54.13 55.98 2ayx s LEU 812 Cb -0.16 -3.29 0.00 0.00 0.02 0.00 0.00 46.19 42.76 2ayx s LEU 812 CO 0.15 0.10 0.00 -0.81 0.02 0.00 0.00 176.35 175.81 2ayx n PRO 813 N 2.26 3.19 -2.01 1.29 -0.04 -1.26 -4.91 135.00 133.52 2ayx n PRO 813 Ca -0.04 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.12 2ayx n PRO 813 Cb 0.49 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.91 2ayx n PRO 813 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ayx s SER 814 N -1.00 5.12 0.51 3.54 0.01 -1.26 -4.94 113.70 115.68 2ayx s SER 814 Ca 0.00 -0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.04 2ayx s SER 814 Cb 0.00 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.71 2ayx s SER 814 CO 0.00 -2.67 0.71 0.42 0.41 0.00 0.00 173.24 172.11 2ayx s THR 815 N 9.99 2.75 -0.03 1.44 -4.23 -1.26 -5.03 115.64 119.28 2ayx s THR 815 Ca 0.71 -0.78 -0.30 0.00 -1.18 0.00 0.00 61.69 60.13 2ayx s THR 815 Cb -0.09 -2.97 -0.06 0.00 1.34 0.00 0.00 72.50 70.72 2ayx s THR 815 CO 0.08 0.00 1.61 -0.62 -0.54 0.00 0.00 174.62 175.15 2ayx s ASP 816 N -4.41 6.69 0.18 3.99 -1.08 -1.26 -4.89 116.67 115.88 2ayx s ASP 816 Ca 0.57 2.25 -0.07 0.00 -0.52 0.00 0.00 52.55 54.78 2ayx s ASP 816 Cb -0.10 -2.54 0.08 0.00 -1.46 0.00 0.00 42.92 38.89 2ayx s ASP 816 CO 0.37 -0.89 1.55 0.11 0.52 0.00 0.00 175.17 176.83 2ayx h LYS 817 N 9.07 0.83 -4.51 4.34 1.79 -2.01 -3.44 116.57 122.64 2ayx h LYS 817 Ca -0.39 -0.40 -0.22 0.00 -2.18 0.00 0.00 60.65 57.46 2ayx h LYS 817 Cb 1.18 -0.01 -0.17 0.00 -1.58 0.00 0.00 32.23 31.65 2ayx h LYS 817 CO 0.94 1.03 -0.71 0.00 -1.08 0.00 0.00 179.45 179.64 2ayx s ALA 818 N -4.45 0.71 0.01 3.86 0.00 -1.26 -5.15 121.76 115.47 2ayx s ALA 818 Ca -0.10 -1.08 -0.11 0.00 0.00 0.00 0.00 51.96 50.67 2ayx s ALA 818 Cb 0.12 0.14 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 2ayx s ALA 818 CO 0.86 -0.18 0.35 0.08 0.00 0.00 0.00 175.76 176.87 2ayx s VAL 819 N -2.77 5.14 0.53 0.00 1.01 -1.26 -5.05 120.40 118.00 2ayx s VAL 819 Ca 0.02 0.56 -0.20 0.00 0.00 0.00 0.00 61.98 62.36 2ayx s VAL 819 Cb -0.00 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 2ayx s VAL 819 CO -0.04 0.47 0.72 -1.20 0.00 0.00 0.00 175.10 175.05 2ayx n SER 820 N 1.48 -0.17 -3.29 3.32 7.64 -1.26 -4.79 113.62 116.55 2ayx n SER 820 Ca -0.13 0.83 -0.30 0.00 1.01 0.00 0.00 58.87 60.29 2ayx n SER 820 Cb 0.53 -1.25 -0.02 0.00 -1.01 0.00 0.00 64.21 62.46 2ayx n SER 820 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2ayx n ASP 821 N 0.32 5.72 -2.86 6.43 5.75 -1.26 -4.75 116.55 125.91 2ayx n ASP 821 Ca 0.12 -2.46 -0.26 0.00 -0.01 0.00 0.00 54.79 52.17 2ayx n ASP 821 Cb 0.45 -1.26 -0.07 0.00 -1.03 0.00 0.00 41.12 39.20 2ayx n ASP 821 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2ayx n ASN 822 N 4.46 6.75 -4.43 -1.12 2.85 -1.26 -4.82 115.26 117.69 2ayx n ASN 822 Ca 0.55 -2.46 -0.42 0.00 -0.11 0.00 0.00 54.58 52.14 2ayx n ASN 822 Cb 0.20 -1.38 -0.10 0.00 1.24 0.00 0.00 39.78 39.74 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 2.35 6.00 0.00 1.20 2.15 -1.26 -4.92 116.67 122.19 2ayx s ASP 823 Ca 0.61 -0.97 -0.01 0.00 0.43 0.00 0.00 52.55 52.62 2ayx s ASP 823 Cb 0.20 -2.12 -0.00 0.00 -0.30 0.00 0.00 42.92 40.70 2ayx s ASP 823 CO -0.04 -0.45 -0.01 -0.67 -0.17 0.00 0.00 175.17 173.83 2ayx n ASP 824 N 5.11 0.17 -4.25 -0.34 -0.08 -1.26 -4.98 116.55 110.92 2ayx n ASP 824 Ca -0.11 0.02 -0.38 0.00 -1.51 0.00 0.00 54.79 52.81 2ayx n ASP 824 Cb 0.46 -0.21 -0.12 0.00 2.34 0.00 0.00 41.12 43.59 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2ayx s MET 825 N -1.16 2.55 -0.44 -0.67 1.75 -1.26 -5.04 119.30 115.03 2ayx s MET 825 Ca -0.01 -1.29 -0.18 0.00 -1.25 0.00 0.00 55.69 52.96 2ayx s MET 825 Cb 0.00 -3.50 0.03 0.00 2.84 0.00 0.00 34.83 34.20 2ayx s MET 825 CO 0.02 -0.75 0.50 1.41 -0.65 0.00 0.00 175.02 175.56 2ayx s MET 826 N 1.37 3.12 -0.18 4.11 1.75 -1.26 -1.64 119.30 126.57 2ayx s MET 826 Ca -0.00 -0.77 -0.04 0.00 -1.25 0.00 0.00 55.69 53.63 2ayx s MET 826 Cb -0.20 -4.00 -0.02 0.00 2.84 0.00 0.00 34.83 33.44 2ayx s MET 826 CO 0.02 -0.96 -0.04 0.42 -0.65 0.00 0.00 175.02 173.81 2ayx s ILE 827 N 2.30 3.66 -0.23 10.11 1.01 0.32 -0.81 121.20 137.56 2ayx s ILE 827 Ca 0.14 -0.42 -0.15 0.00 0.00 0.00 0.00 60.65 60.21 2ayx s ILE 827 Cb -0.17 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2ayx s ILE 827 CO 0.14 0.46 0.39 -0.22 0.00 0.00 0.00 174.94 175.70 2ayx s LEU 828 N 0.86 4.11 -0.21 2.97 1.98 -0.68 -0.93 118.68 126.78 2ayx s LEU 828 Ca -0.01 0.42 0.00 0.00 -2.89 0.00 0.00 54.13 51.65 2ayx s LEU 828 Cb -0.15 -2.48 0.02 0.00 0.66 0.00 0.00 46.19 44.25 2ayx s LEU 828 CO 0.01 -0.12 -0.14 0.54 -1.89 0.00 0.00 176.35 174.75 2ayx s VAL 829 N 1.63 2.41 -0.63 1.68 0.11 -0.49 -1.29 120.40 123.83 2ayx s VAL 829 Ca 0.17 -0.97 0.04 0.00 -2.93 0.00 0.00 61.98 58.30 2ayx s VAL 829 Cb -0.15 -2.11 0.15 0.00 -1.53 0.00 0.00 36.38 32.74 2ayx s VAL 829 CO 0.08 0.40 0.40 0.68 -3.33 0.00 0.00 175.10 173.33 2ayx s VAL 830 N 1.30 2.83 -0.26 2.04 -7.23 -0.94 -1.30 120.40 116.84 2ayx s VAL 830 Ca 0.03 -3.81 -0.15 0.00 -1.81 0.00 0.00 61.98 56.24 2ayx s VAL 830 Cb -0.15 -2.90 -0.04 0.00 0.56 0.00 0.00 36.38 33.86 2ayx s VAL 830 CO -0.09 -0.91 0.39 -0.62 -0.31 0.00 0.00 175.10 173.55 2ayx s ASP 831 N -0.84 6.29 0.57 4.85 -1.08 -0.87 -0.76 116.67 124.82 2ayx s ASP 831 Ca 0.21 0.33 0.29 0.00 -0.52 0.00 0.00 52.55 52.86 2ayx s ASP 831 Cb -0.15 -2.22 1.47 0.00 -1.46 0.00 0.00 42.92 40.57 2ayx s ASP 831 CO -0.09 -0.18 1.92 -0.78 0.52 0.00 0.00 175.17 176.57 2ayx h ASP 832 N 8.06 0.00 -3.50 -0.34 3.58 -1.81 -3.37 116.42 119.05 2ayx h ASP 832 Ca -0.32 0.00 -0.71 0.00 0.42 0.00 0.00 57.03 56.42 2ayx h ASP 832 Cb 1.16 0.00 -0.20 0.00 1.72 0.00 0.00 39.33 42.01 2ayx h ASP 832 CO 0.66 0.00 -0.31 -1.00 -2.88 0.00 0.00 179.24 175.70 2ayx s HIS 833 N -4.77 3.20 0.25 0.28 3.76 -1.26 -4.95 115.29 111.80 2ayx s HIS 833 Ca -0.05 -0.52 -0.04 0.00 -0.15 0.00 0.00 55.06 54.31 2ayx s HIS 833 Cb 0.18 -2.79 0.46 0.00 1.11 0.00 0.00 32.58 31.54 2ayx s HIS 833 CO 0.63 -0.66 1.73 -1.00 -0.85 0.00 0.00 174.74 174.59 2ayx h PRO 834 N 8.69 0.45 -0.44 8.40 0.13 -1.96 0.39 132.00 147.65 2ayx h PRO 834 Ca -0.27 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.70 2ayx h PRO 834 Cb 1.11 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2ayx h PRO 834 CO 0.77 0.30 -0.24 0.82 -0.23 0.00 0.00 178.00 179.42 2ayx h ILE 835 N 0.46 1.27 -0.15 -3.56 1.08 -1.93 -1.63 117.51 113.06 2ayx h ILE 835 Ca 0.42 -1.40 -0.23 0.00 -0.39 0.00 0.00 64.86 63.26 2ayx h ILE 835 Cb 0.63 1.19 0.01 0.00 -3.07 0.00 0.00 36.82 35.57 2ayx h ILE 835 CO -0.40 0.48 -0.79 -1.13 -0.69 0.00 0.00 178.15 175.62 2ayx h ASN 836 N 0.79 0.94 -0.82 1.72 -1.24 -1.71 -2.45 115.58 112.81 2ayx h ASN 836 Ca 0.10 -0.62 0.12 0.00 0.71 0.00 0.00 56.30 56.60 2ayx h ASN 836 Cb 0.81 -0.28 -0.08 0.00 0.73 0.00 0.00 38.32 39.50 2ayx h ASN 836 CO 0.07 1.42 0.44 -0.09 -1.29 0.00 0.00 177.43 177.99 2ayx h ARG 837 N 0.53 0.68 -0.43 6.67 2.43 -0.13 -1.08 114.38 123.06 2ayx h ARG 837 Ca -0.06 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.02 2ayx h ARG 837 Cb 1.42 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 2ayx h ARG 837 CO 0.16 0.45 0.05 -0.09 -1.51 0.00 0.00 179.97 179.03 2ayx h ARG 838 N 0.70 0.72 -0.11 0.20 1.12 -1.19 -2.42 114.38 113.41 2ayx h ARG 838 Ca 0.42 -0.21 -0.02 0.00 -1.11 0.00 0.00 59.98 59.07 2ayx h ARG 838 Cb 0.49 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.37 2ayx h ARG 838 CO -0.30 0.77 -0.00 1.25 -3.11 0.00 0.00 179.97 178.58 2ayx h LEU 839 N 0.57 0.19 -0.64 3.80 6.46 -0.75 -0.69 115.31 124.25 2ayx h LEU 839 Ca 0.13 -0.32 -0.11 0.00 -0.12 0.00 0.00 57.88 57.46 2ayx h LEU 839 Cb 0.42 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.28 2ayx h LEU 839 CO 0.01 0.47 -0.52 0.17 -0.62 0.00 0.00 178.44 177.95 2ayx h LEU 840 N -0.08 0.00 -1.12 2.25 8.10 -1.34 -2.42 115.31 120.70 2ayx h LEU 840 Ca 0.03 0.00 -0.09 0.00 0.11 0.00 0.00 57.88 57.93 2ayx h LEU 840 Cb 0.37 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.58 2ayx h LEU 840 CO 0.01 0.52 -0.44 0.00 -4.11 0.00 0.00 178.44 174.42 2ayx h ALA 841 N 1.48 1.26 -0.53 0.17 0.00 -1.27 -0.03 119.26 120.35 2ayx h ALA 841 Ca -0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 2ayx h ALA 841 Cb 1.12 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2ayx h ALA 841 CO 0.07 0.55 0.12 0.22 0.00 0.00 0.00 179.25 180.20 2ayx h ASP 842 N 0.00 0.81 -0.38 0.00 3.58 -0.65 0.48 116.42 120.26 2ayx h ASP 842 Ca -0.00 -0.24 -0.02 0.00 0.42 0.00 0.00 57.03 57.19 2ayx h ASP 842 Cb 0.78 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 2ayx h ASP 842 CO 0.06 0.84 0.17 1.56 -2.88 0.00 0.00 179.24 178.99 2ayx h GLN 843 N 0.74 0.55 -0.44 0.28 4.20 -1.08 -1.47 115.11 117.89 2ayx h GLN 843 Ca 0.16 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 58.81 2ayx h GLN 843 Cb 0.36 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2ayx h GLN 843 CO 0.00 0.51 0.24 1.25 -0.67 0.00 0.00 178.83 180.16 2ayx h LEU 844 N 0.47 0.37 -0.77 1.46 6.46 -0.78 -1.47 115.31 121.04 2ayx h LEU 844 Ca 0.13 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 2ayx h LEU 844 Cb 0.15 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 39.99 2ayx h LEU 844 CO -0.01 0.26 0.21 1.23 -0.62 0.00 0.00 178.44 179.51 2ayx h GLY 845 N 0.48 1.22 2.00 3.75 0.00 -0.76 -2.09 103.07 107.67 2ayx h GLY 845 Ca 0.18 -0.74 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2ayx h GLY 845 CO -0.11 0.69 -0.12 1.76 0.00 0.00 0.00 176.54 178.75 2ayx h SER 846 N 1.09 0.00 1.41 0.19 0.02 -0.85 -1.25 113.55 114.15 2ayx h SER 846 Ca 0.23 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2ayx h SER 846 Cb 0.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2ayx h SER 846 CO -0.00 0.12 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.63 2ayx h LEU 847 N 0.00 0.00 0.00 5.07 3.38 -0.58 -3.47 115.31 119.71 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 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 2ayx h LEU 847 CO 0.02 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.26 2ayx n GLY 848 N 0.58 0.85 3.85 0.83 0.00 -0.47 -5.09 105.19 105.74 2ayx n GLY 848 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 3.68 -0.29 1.61 2.02 -1.08 -4.93 117.35 116.36 2ayx s TYR 849 Ca 0.00 0.83 -0.29 0.00 -0.37 0.00 0.00 57.07 57.24 2ayx s TYR 849 Cb 0.00 -2.16 0.00 0.00 -0.40 0.00 0.00 41.96 39.40 2ayx s TYR 849 CO 0.00 0.67 1.26 -0.65 -1.57 0.00 0.00 175.55 175.26 2ayx s GLN 850 N -1.13 3.97 -0.12 -0.62 1.11 -0.65 -4.03 119.66 118.20 2ayx s GLN 850 Ca 0.22 1.26 -0.03 0.00 0.01 0.00 0.00 55.36 56.82 2ayx s GLN 850 Cb -0.15 -3.85 -0.03 0.00 -1.01 0.00 0.00 33.01 27.97 2ayx s GLN 850 CO 0.11 -1.05 -0.02 0.00 0.01 0.00 0.00 175.29 174.34 2ayx s LYS 852 N -0.32 2.77 -0.23 0.00 3.01 -0.10 -4.96 119.74 119.91 2ayx s LYS 852 Ca 0.06 -1.09 -0.19 0.00 -1.01 0.00 0.00 55.97 53.73 2ayx s LYS 852 Cb -0.12 -3.57 -0.02 0.00 -1.01 0.00 0.00 37.83 33.11 2ayx s LYS 852 CO 0.02 -0.65 0.58 0.99 0.51 0.00 0.00 175.35 176.80 2ayx s THR 853 N 1.48 5.04 0.25 2.17 2.01 -1.26 -1.40 115.64 123.93 2ayx s THR 853 Ca 0.00 1.04 -0.08 0.00 0.31 0.00 0.00 61.69 62.96 2ayx s THR 853 Cb -0.19 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.42 2ayx s THR 853 CO 0.04 0.09 0.38 0.00 -0.69 0.00 0.00 174.62 174.45 2ayx s ALA 854 N 2.16 0.30 -0.43 7.40 0.00 -0.42 -5.02 121.76 125.75 2ayx s ALA 854 Ca 0.25 -1.20 0.06 0.00 0.00 0.00 0.00 51.96 51.07 2ayx s ALA 854 Cb -0.16 1.17 0.21 0.00 0.00 0.00 0.00 23.12 24.34 2ayx s ALA 854 CO 0.09 -0.77 0.51 0.27 0.00 0.00 0.00 175.76 175.86 2ayx n ASN 855 N -0.51 -0.96 -3.64 0.00 6.94 -1.26 -2.05 115.26 113.77 2ayx n ASN 855 Ca -0.00 -2.65 -0.05 0.00 -0.02 0.00 0.00 54.58 51.86 2ayx n ASN 855 Cb 0.63 0.00 -0.07 0.00 -2.36 0.00 0.00 39.78 37.98 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2ayx s ASP 856 N -0.40 -0.36 0.15 0.53 2.15 -1.26 -4.84 116.67 112.64 2ayx s ASP 856 Ca 0.33 0.63 -0.12 0.00 0.43 0.00 0.00 52.55 53.83 2ayx s ASP 856 Cb 0.10 0.84 0.02 0.00 -0.30 0.00 0.00 42.92 43.57 2ayx s ASP 856 CO -0.16 -0.11 1.59 1.23 -0.17 0.00 0.00 175.17 177.56 2ayx h GLY 857 N 4.64 0.99 1.49 2.66 0.00 -1.94 -3.06 103.07 107.86 2ayx h GLY 857 Ca -0.28 -0.76 -0.21 0.00 0.00 0.00 0.00 47.33 46.08 2ayx h GLY 857 CO 0.16 0.70 -0.81 -2.08 0.00 0.00 0.00 176.54 174.51 2ayx h VAL 858 N 0.78 1.36 0.00 4.60 2.07 -1.96 -3.07 116.25 120.03 2ayx h VAL 858 Ca 0.14 -2.21 -0.01 0.00 0.82 0.00 0.00 66.70 65.43 2ayx h VAL 858 Cb 0.58 2.19 -0.00 0.00 -1.52 0.00 0.00 31.29 32.54 2ayx h VAL 858 CO 0.03 0.67 -0.06 -0.78 0.02 0.00 0.00 177.57 177.45 2ayx h ASP 859 N 0.31 0.00 -0.46 0.57 3.58 -1.96 -0.40 116.42 118.06 2ayx h ASP 859 Ca -0.05 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2ayx h ASP 859 Cb 1.42 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 42.44 2ayx h ASP 859 CO 0.15 0.06 0.23 0.00 -2.88 0.00 0.00 179.24 176.79 2ayx h ALA 860 N 1.94 1.46 -0.03 -0.78 0.00 -1.43 0.49 119.26 120.90 2ayx h ALA 860 Ca -0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 2ayx h ALA 860 Cb 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ayx h ALA 860 CO 0.01 0.43 -0.87 -0.07 0.00 0.00 0.00 179.25 178.75 2ayx h LEU 861 N 0.71 0.54 -0.06 0.00 4.07 -1.21 -2.28 115.31 117.09 2ayx h LEU 861 Ca 0.18 -0.41 -0.00 0.00 0.08 0.00 0.00 57.88 57.73 2ayx h LEU 861 Cb 0.10 -0.16 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 2ayx h LEU 861 CO -0.02 1.19 0.02 -1.13 -1.08 0.00 0.00 178.44 177.42 2ayx h ASN 862 N 0.26 0.08 0.19 -0.43 -1.24 -0.94 -1.71 115.58 111.79 2ayx h ASN 862 Ca -0.06 -0.15 -0.07 0.00 0.71 0.00 0.00 56.30 56.73 2ayx h ASN 862 Cb 1.49 -0.02 -0.01 0.00 0.73 0.00 0.00 38.32 40.51 2ayx h ASN 862 CO 0.15 0.21 -0.27 1.62 -1.29 0.00 0.00 177.43 177.85 2ayx h VAL 863 N -0.06 1.23 -0.93 2.57 3.04 -0.99 0.15 116.25 121.25 2ayx h VAL 863 Ca 0.02 -1.07 0.02 0.00 -1.01 0.00 0.00 66.70 64.66 2ayx h VAL 863 Cb 0.15 1.46 -0.05 0.00 -2.01 0.00 0.00 31.29 30.85 2ayx h VAL 863 CO -0.00 0.32 0.62 0.25 -1.01 0.00 0.00 177.57 177.74 2ayx h LEU 864 N 0.13 1.05 -0.07 3.16 7.12 -1.07 0.45 115.31 126.09 2ayx h LEU 864 Ca 0.02 -0.02 -0.21 0.00 0.13 0.00 0.00 57.88 57.80 2ayx h LEU 864 Cb 0.54 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 40.39 2ayx h LEU 864 CO 0.04 0.75 -0.97 0.28 -0.13 0.00 0.00 178.44 178.40 2ayx h SER 865 N 1.24 0.02 0.56 1.25 0.02 -0.57 -3.33 113.55 112.74 2ayx h SER 865 Ca 0.35 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.25 2ayx h SER 865 Cb -0.10 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.44 2ayx h SER 865 CO -0.09 0.98 -0.27 0.11 -1.14 0.00 0.00 176.83 176.42 2ayx h LYS 866 N 0.00 -0.72 0.00 3.45 1.79 -0.62 -3.46 116.57 117.00 2ayx h LYS 866 Ca -0.01 0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 2ayx h LYS 866 Cb 1.71 0.16 0.00 0.00 -1.58 0.00 0.00 32.23 32.53 2ayx h LYS 866 CO 0.13 -0.48 0.00 -1.71 -1.08 0.00 0.00 179.45 176.31 2ayx n ASN 867 N -5.13 0.00 0.00 0.86 2.85 0.12 -5.09 115.26 108.88 2ayx n ASN 867 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2ayx n ASN 867 Cb 0.30 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.32 2ayx n ASN 867 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2ayx n HIS 868 N 0.00 -1.13 -0.55 1.20 -0.00 -1.25 -4.85 115.22 108.64 2ayx n HIS 868 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2ayx n HIS 868 Cb 0.00 0.23 0.00 0.00 -0.12 0.00 0.00 29.99 30.10 2ayx n HIS 868 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2ayx n ILE 869 N -1.92 -1.49 -0.09 3.57 -0.00 -1.26 -4.83 119.36 113.33 2ayx n ILE 869 Ca 0.00 0.62 -0.18 0.00 -0.00 0.00 0.00 62.75 63.18 2ayx n ILE 869 Cb 0.00 -0.95 -0.12 0.00 -0.00 0.00 0.00 39.64 38.57 2ayx n ILE 869 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2ayx h ASP 870 N 0.22 0.00 -3.64 4.38 3.32 -1.37 -3.47 116.42 115.86 2ayx h ASP 870 Ca 0.00 -0.72 -0.37 0.00 0.02 0.00 0.00 57.03 55.96 2ayx h ASP 870 Cb 0.23 -0.00 -0.32 0.00 0.22 0.00 0.00 39.33 39.46 2ayx h ASP 870 CO 0.00 1.28 -0.76 -0.63 -1.72 0.00 0.00 179.24 177.41 2ayx s ILE 871 N -2.30 0.44 -0.14 0.35 1.01 -1.21 -4.40 121.20 114.96 2ayx s ILE 871 Ca -0.25 -0.13 0.01 0.00 0.00 0.00 0.00 60.65 60.28 2ayx s ILE 871 Cb 0.02 -0.44 -0.01 0.00 0.01 0.00 0.00 42.46 42.04 2ayx s ILE 871 CO 0.64 0.17 -0.15 -0.69 0.00 0.00 0.00 174.94 174.90 2ayx s VAL 872 N 0.53 2.75 -0.22 2.92 1.01 -1.08 -1.69 120.40 124.61 2ayx s VAL 872 Ca -0.06 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.18 2ayx s VAL 872 Cb -0.10 -2.14 0.04 0.00 0.00 0.00 0.00 36.38 34.18 2ayx s VAL 872 CO -0.00 0.52 -0.15 -1.48 0.00 0.00 0.00 175.10 173.99 2ayx s LEU 873 N 0.56 2.76 -0.23 3.92 0.05 -0.41 -0.59 118.68 124.74 2ayx s LEU 873 Ca -0.10 -1.01 -0.10 0.00 0.05 0.00 0.00 54.13 52.97 2ayx s LEU 873 Cb -0.16 -1.51 -0.05 0.00 -2.05 0.00 0.00 46.19 42.43 2ayx s LEU 873 CO 0.04 -0.10 0.15 -0.44 -0.55 0.00 0.00 176.35 175.45 2ayx s SER 874 N 1.20 6.10 -0.20 1.48 0.01 -0.64 -2.21 113.70 119.45 2ayx s SER 874 Ca -0.02 0.13 -0.04 0.00 1.31 0.00 0.00 55.95 57.32 2ayx s SER 874 Cb -0.16 -2.10 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 2ayx s SER 874 CO -0.09 0.09 -0.02 -0.62 0.41 0.00 0.00 173.24 173.01 2ayx s ASP 875 N 0.93 4.66 -0.49 2.44 -1.08 0.06 -1.15 116.67 122.05 2ayx s ASP 875 Ca 0.07 -0.25 0.00 0.00 -0.52 0.00 0.00 52.55 51.86 2ayx s ASP 875 Cb -0.13 -1.79 0.13 0.00 -1.46 0.00 0.00 42.92 39.66 2ayx s ASP 875 CO 0.03 0.05 0.25 0.68 0.52 0.00 0.00 175.17 176.71 2ayx s VAL 876 N 1.07 3.00 0.47 1.11 -7.23 -0.31 -2.67 120.40 115.84 2ayx s VAL 876 Ca 0.02 -2.73 0.22 0.00 -1.81 0.00 0.00 61.98 57.68 2ayx s VAL 876 Cb -0.14 -3.06 0.26 0.00 0.56 0.00 0.00 36.38 34.00 2ayx s VAL 876 CO 0.01 -0.75 2.08 0.78 -0.31 0.00 0.00 175.10 176.91 2ayx h ASN 877 N 7.24 0.00 -3.74 4.85 2.35 -1.91 -2.29 115.58 122.08 2ayx h ASN 877 Ca -0.06 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.03 2ayx h ASN 877 Cb 0.97 0.00 -0.39 0.00 0.05 0.00 0.00 38.32 38.95 2ayx h ASN 877 CO 0.66 0.11 -0.76 -0.32 -1.65 0.00 0.00 177.43 175.48 2ayx s MET 878 N -4.51 1.77 0.21 0.81 1.75 -1.26 -4.47 119.30 113.60 2ayx s MET 878 Ca -0.04 -1.58 0.22 0.00 -1.25 0.00 0.00 55.69 53.04 2ayx s MET 878 Cb 0.15 -3.00 0.91 0.00 2.84 0.00 0.00 34.83 35.73 2ayx s MET 878 CO 0.62 -0.77 1.67 -0.35 -0.65 0.00 0.00 175.02 175.54 2ayx n PRO 879 N 4.37 0.16 -2.46 4.11 -0.04 -1.26 -3.83 135.00 136.05 2ayx n PRO 879 Ca -0.04 0.38 -0.42 0.00 -0.04 0.00 0.00 63.50 63.37 2ayx n PRO 879 Cb 0.42 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 32.06 2ayx n PRO 879 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2ayx s ASN 880 N -4.01 7.07 0.00 3.54 2.47 -1.26 -2.60 114.94 120.15 2ayx s ASN 880 Ca 0.05 1.88 0.00 0.00 0.42 0.00 0.00 52.86 55.21 2ayx s ASN 880 Cb 0.09 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.33 2ayx s ASN 880 CO 0.38 -0.53 0.00 0.80 -3.72 0.00 0.00 177.10 174.03 2ayx n MET 881 N 4.72 0.00 0.05 0.43 1.56 -1.26 -4.04 117.12 118.58 2ayx n MET 881 Ca 0.10 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.47 2ayx n MET 881 Cb 0.46 0.00 0.12 0.00 2.15 0.00 0.00 33.22 35.95 2ayx n MET 881 CO 0.00 0.00 0.00 0.22 -0.73 0.00 0.00 175.97 175.46 2ayx h ASP 882 N 0.00 0.41 0.00 6.12 1.82 -1.78 -1.38 116.42 121.61 2ayx h ASP 882 Ca 0.00 -0.21 -0.01 0.00 -0.39 0.00 0.00 57.03 56.42 2ayx h ASP 882 Cb 0.00 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 39.89 2ayx h ASP 882 CO 0.00 0.86 -0.02 0.61 -1.61 0.00 0.00 179.24 179.07 2ayx n GLY 883 N 0.13 2.27 1.73 -0.78 0.00 -1.07 -2.42 105.19 105.06 2ayx n GLY 883 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2ayx n GLY 883 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ayx n TYR 884 N 1.66 -2.16 -0.10 1.61 9.36 -1.11 -4.85 117.16 121.56 2ayx n TYR 884 Ca 0.03 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.16 2ayx n TYR 884 Cb 0.46 0.43 -0.02 0.00 -0.63 0.00 0.00 39.34 39.59 2ayx n TYR 884 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 2ayx h ARG 885 N 0.00 0.45 -0.35 2.98 1.12 -1.20 -0.35 114.38 117.03 2ayx h ARG 885 Ca 0.00 -0.05 -0.07 0.00 -1.11 0.00 0.00 59.98 58.75 2ayx h ARG 885 Cb 0.00 -0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 29.86 2ayx h ARG 885 CO 0.00 0.38 -0.05 1.25 -3.11 0.00 0.00 179.97 178.44 2ayx h LEU 886 N 0.40 0.64 -0.23 3.80 6.46 -1.73 -2.19 115.31 122.46 2ayx h LEU 886 Ca 0.11 -0.34 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 2ayx h LEU 886 Cb 0.06 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 39.81 2ayx h LEU 886 CO -0.02 0.83 0.09 0.71 -0.62 0.00 0.00 178.44 179.44 2ayx h THR 887 N 0.44 1.17 -0.60 1.05 1.35 -1.74 -0.91 112.91 113.67 2ayx h THR 887 Ca 0.09 -0.51 0.02 0.00 -0.55 0.00 0.00 66.41 65.46 2ayx h THR 887 Cb 0.53 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 68.00 2ayx h THR 887 CO 0.03 0.17 0.38 -0.61 -0.25 0.00 0.00 175.52 175.24 2ayx h GLN 888 N 0.21 0.75 -0.30 4.72 4.15 -1.03 -2.31 115.11 121.30 2ayx h GLN 888 Ca 0.08 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.29 2ayx h GLN 888 Cb 0.18 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.69 2ayx h GLN 888 CO -0.01 0.49 -0.44 0.00 -1.93 0.00 0.00 178.83 176.95 2ayx h ARG 889 N 0.77 0.77 -0.10 1.69 3.08 -1.25 0.02 114.38 119.37 2ayx h ARG 889 Ca 0.23 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 59.86 2ayx h ARG 889 Cb -0.04 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 2ayx h ARG 889 CO -0.07 1.05 0.05 0.82 -1.07 0.00 0.00 179.97 180.75 2ayx h ILE 890 N 0.62 1.00 0.00 2.04 2.04 -0.87 -1.10 117.51 121.24 2ayx h ILE 890 Ca 0.04 -0.04 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2ayx h ILE 890 Cb 1.00 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 2ayx h ILE 890 CO 0.10 0.02 -0.29 0.08 0.00 0.00 0.00 178.15 178.06 2ayx h ARG 891 N 0.11 0.00 -0.43 2.37 0.11 -1.41 -0.94 114.38 114.18 2ayx h ARG 891 Ca 0.04 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.09 2ayx h ARG 891 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 2ayx h ARG 891 CO -0.02 0.29 0.17 1.96 0.10 0.00 0.00 179.97 182.46 2ayx h GLN 892 N 0.00 0.64 -0.02 0.08 1.08 -0.44 -2.26 115.11 114.20 2ayx h GLN 892 Ca -0.00 -0.12 -0.15 0.00 -1.45 0.00 0.00 58.65 56.93 2ayx h GLN 892 Cb 1.01 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 28.32 2ayx h GLN 892 CO 0.04 0.59 -0.67 -0.07 -0.95 0.00 0.00 178.83 177.78 2ayx h LEU 893 N 0.55 0.10 -1.39 1.46 4.07 -1.14 -3.49 115.31 115.48 2ayx h LEU 893 Ca 0.14 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2ayx h LEU 893 Cb 0.19 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.90 2ayx h LEU 893 CO -0.01 0.74 0.00 0.61 -1.08 0.00 0.00 178.44 178.70 2ayx n GLY 894 N 0.39 0.51 3.61 0.83 0.00 -0.40 -4.98 105.19 105.14 2ayx n GLY 894 Ca -0.02 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.09 3.62 0.07 0.99 2.96 -0.97 -4.84 118.68 119.42 2ayx s LEU 895 Ca 0.00 1.60 0.26 0.00 -0.22 0.00 0.00 54.13 55.78 2ayx s LEU 895 Cb 0.00 -3.52 0.76 0.00 0.50 0.00 0.00 46.19 43.92 2ayx s LEU 895 CO 0.00 -1.65 1.62 0.41 -1.32 0.00 0.00 176.35 175.42 2ayx n THR 896 N 7.20 0.19 -3.51 3.68 -1.04 -1.26 -4.81 114.28 114.74 2ayx n THR 896 Ca 0.24 -0.11 -0.33 0.00 -2.04 0.00 0.00 64.05 61.80 2ayx n THR 896 Cb 0.46 -0.23 -0.05 0.00 -1.82 0.00 0.00 70.33 68.69 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 -3.56 4.26 0.19 -4.42 2.34 -1.26 -5.03 118.68 111.20 2ayx s LEU 897 Ca 0.11 0.84 -0.32 0.00 0.06 0.00 0.00 54.13 54.82 2ayx s LEU 897 Cb 0.16 -3.36 -0.12 0.00 -0.56 0.00 0.00 46.19 42.31 2ayx s LEU 897 CO 0.63 0.04 1.76 -2.84 -1.06 0.00 0.00 176.35 174.89 2ayx s PRO 898 N -2.43 4.12 -0.15 1.48 0.02 -1.26 -4.87 135.00 131.92 2ayx s PRO 898 Ca 0.41 2.62 -0.02 0.00 0.02 0.00 0.00 61.00 64.03 2ayx s PRO 898 Cb -0.13 -3.22 -0.02 0.00 0.02 0.00 0.00 34.50 31.15 2ayx s PRO 898 CO 0.21 -0.78 -0.08 0.08 -0.33 0.00 0.00 177.00 176.09 2ayx s VAL 899 N 1.63 3.47 -0.34 3.83 1.01 -1.10 -2.64 120.40 126.27 2ayx s VAL 899 Ca 0.77 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 2ayx s VAL 899 Cb -0.49 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.42 2ayx s VAL 899 CO 0.33 0.51 0.13 0.27 0.00 0.00 0.00 175.10 176.34 2ayx s ILE 900 N 0.40 4.09 -0.48 2.22 -4.36 0.24 -1.44 121.20 121.87 2ayx s ILE 900 Ca -0.07 -0.93 -0.17 0.00 -0.26 0.00 0.00 60.65 59.22 2ayx s ILE 900 Cb -0.15 -3.25 0.06 0.00 1.25 0.00 0.00 42.46 40.37 2ayx s ILE 900 CO 0.04 -0.13 0.50 -0.83 0.24 0.00 0.00 174.94 174.76 2ayx s GLY 901 N 1.48 1.90 -0.13 6.27 0.00 -0.09 -1.62 107.32 115.13 2ayx s GLY 901 Ca 0.01 -1.87 -0.17 0.00 0.00 0.00 0.00 44.72 42.69 2ayx s GLY 901 CO 0.04 1.25 0.41 0.54 0.00 0.00 0.00 173.10 175.35 2ayx s VAL 902 N 2.15 5.22 -0.03 1.40 0.11 -0.30 -0.81 120.40 128.15 2ayx s VAL 902 Ca 0.10 0.82 0.06 0.00 -2.93 0.00 0.00 61.98 60.03 2ayx s VAL 902 Cb -0.21 -3.75 -0.01 0.00 -1.53 0.00 0.00 36.38 30.87 2ayx s VAL 902 CO 0.10 0.36 -0.21 -0.89 -3.33 0.00 0.00 175.10 171.12 2ayx s THR 903 N 0.51 1.69 -0.29 5.04 2.01 -0.37 -1.16 115.64 123.08 2ayx s THR 903 Ca 0.23 -0.90 -0.29 0.00 0.31 0.00 0.00 61.69 61.04 2ayx s THR 903 Cb -0.14 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 70.96 2ayx s THR 903 CO 0.08 0.48 1.11 0.00 -0.69 0.00 0.00 174.62 175.60 2ayx s ALA 904 N -0.34 3.53 -1.03 7.40 0.00 -0.86 -1.64 121.76 128.81 2ayx s ALA 904 Ca 0.04 0.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.03 2ayx s ALA 904 Cb -0.10 -3.66 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 2ayx s ALA 904 CO 0.00 -1.41 0.88 0.09 0.00 0.00 0.00 175.76 175.32 2ayx n ASN 905 N 6.83 -4.12 -4.57 0.00 3.02 -1.26 -4.81 115.26 110.35 2ayx n ASN 905 Ca 0.12 -0.61 -0.28 0.00 -0.03 0.00 0.00 54.58 53.79 2ayx n ASN 905 Cb 0.47 -4.77 -0.06 0.00 -0.61 0.00 0.00 39.78 34.81 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ayx s ALA 906 N -3.34 1.75 -0.04 5.41 0.00 -1.24 -4.70 121.76 119.59 2ayx s ALA 906 Ca 0.21 -1.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.19 2ayx s ALA 906 Cb -0.03 -4.61 -0.31 0.00 0.00 0.00 0.00 23.12 18.17 2ayx s ALA 906 CO 0.67 -5.00 0.74 -0.07 0.00 0.00 0.00 175.76 172.10 2ayx h LEU 907 N 17.73 0.62 -1.26 0.00 -0.00 -1.95 -3.40 115.31 127.04 2ayx h LEU 907 Ca 0.16 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 57.12 2ayx h LEU 907 Cb 0.97 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.43 2ayx h LEU 907 CO 1.22 1.71 0.00 0.00 -0.00 0.00 0.00 178.44 181.37 2ayx n ALA 908 N -2.84 1.57 0.34 1.53 0.00 -1.26 -4.77 120.51 115.08 2ayx n ALA 908 Ca -0.22 -0.51 0.14 0.00 0.00 0.00 0.00 53.44 52.85 2ayx n ALA 908 Cb 1.03 0.00 0.59 0.00 0.00 0.00 0.00 19.45 21.07 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 0.00 0.00 -0.44 0.00 3.07 -1.91 -1.87 114.58 113.44 2ayx h GLU 909 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.75 2ayx h GLU 909 Cb 0.39 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 2ayx h GLU 909 CO 0.00 0.00 -0.16 1.05 -1.40 0.00 0.00 179.01 178.50 2ayx h GLU 910 N 0.00 0.82 -0.08 2.33 4.11 -1.86 0.60 114.58 120.51 2ayx h GLU 910 Ca 0.00 -0.30 -0.17 0.00 0.07 0.00 0.00 59.36 58.96 2ayx h GLU 910 Cb 0.41 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 2ayx h GLU 910 CO 0.00 0.92 -0.69 -0.22 0.07 0.00 0.00 179.01 179.09 2ayx h LYS 911 N 0.73 0.36 -0.47 1.06 3.64 -1.72 -2.63 116.57 117.54 2ayx h LYS 911 Ca 0.11 -0.28 -0.07 0.00 -1.27 0.00 0.00 60.65 59.14 2ayx h LYS 911 Cb 0.66 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.52 2ayx h LYS 911 CO 0.05 0.92 0.00 1.96 -2.27 0.00 0.00 179.45 180.11 2ayx h GLN 912 N 0.25 0.77 -0.74 1.90 1.08 -1.20 -0.23 115.11 116.95 2ayx h GLN 912 Ca -0.02 -0.20 -0.03 0.00 -1.45 0.00 0.00 58.65 56.95 2ayx h GLN 912 Cb 1.25 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 28.55 2ayx h GLN 912 CO 0.12 0.78 0.36 -0.09 -0.95 0.00 0.00 178.83 179.04 2ayx h ARG 913 N 0.72 1.06 -0.04 1.46 1.12 -0.71 0.00 114.38 118.00 2ayx h ARG 913 Ca 0.14 -0.15 -0.12 0.00 -1.11 0.00 0.00 59.98 58.74 2ayx h ARG 913 Cb 0.44 -0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.19 2ayx h ARG 913 CO 0.02 0.83 -0.54 0.00 -3.11 0.00 0.00 179.97 177.16 2ayx h LEU 915 N 0.08 -0.11 -0.06 0.00 5.85 -0.53 -3.34 115.31 117.19 2ayx h LEU 915 Ca -0.00 -0.42 -0.12 0.00 0.84 0.00 0.00 57.88 58.18 2ayx h LEU 915 Cb 0.98 0.03 0.01 0.00 0.37 0.00 0.00 40.66 42.05 2ayx h LEU 915 CO 0.08 0.39 -0.45 -0.33 -0.34 0.00 0.00 178.44 177.79 2ayx h GLU 916 N -0.67 0.41 -6.34 1.25 4.39 -1.05 -3.48 114.58 109.09 2ayx h GLU 916 Ca -0.01 -0.36 -0.47 0.00 0.34 0.00 0.00 59.36 58.85 2ayx h GLU 916 Cb 0.52 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2ayx h GLU 916 CO 0.02 1.01 -0.83 0.43 -1.16 0.00 0.00 179.01 178.48 2ayx n SER 917 N -4.31 -1.97 -0.68 1.42 7.64 0.06 -4.90 113.62 110.87 2ayx n SER 917 Ca -0.09 -0.89 0.05 0.00 1.01 0.00 0.00 58.87 58.95 2ayx n SER 917 Cb 0.58 -3.56 0.20 0.00 -1.01 0.00 0.00 64.21 60.42 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 -1.71 4.75 0.00 0.23 0.00 -1.26 -4.91 105.19 102.29 2ayx n GLY 918 Ca -0.18 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.66 2ayx n GLY 918 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2ayx n MET 919 N -1.07 0.00 0.00 1.61 0.00 -1.26 -4.42 117.12 111.98 2ayx n MET 919 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.93 2ayx n MET 919 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.04 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 -4.26 3.17 2.03 -0.52 -2.70 116.55 114.28 2ayx n ASP 920 Ca 0.00 0.00 -0.14 0.00 0.52 0.00 0.00 54.79 55.17 2ayx n ASP 920 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 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 1.51 -0.04 1.67 0.01 -1.08 -5.04 113.70 110.73 2ayx s SER 921 Ca 0.00 -1.13 0.05 0.00 1.31 0.00 0.00 55.95 56.19 2ayx s SER 921 Cb 0.00 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.28 2ayx s SER 921 CO 0.00 -0.48 -0.20 0.00 0.41 0.00 0.00 173.24 172.97 2ayx s LEU 923 N -0.16 2.42 0.31 0.00 1.43 0.01 -4.93 118.68 117.76 2ayx s LEU 923 Ca -0.00 -1.49 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 2ayx s LEU 923 Cb -0.11 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 2ayx s LEU 923 CO 0.02 -0.67 0.51 -0.94 0.23 0.00 0.00 176.35 175.50 2ayx s SER 924 N -3.69 6.32 0.13 2.29 1.04 -1.26 -1.23 113.70 117.31 2ayx s SER 924 Ca 0.26 0.43 -0.18 0.00 0.48 0.00 0.00 55.95 56.94 2ayx s SER 924 Cb 0.06 -2.02 -0.03 0.00 0.10 0.00 0.00 66.02 64.13 2ayx s SER 924 CO 0.13 -0.23 1.78 0.50 0.98 0.00 0.00 173.24 176.40 2ayx h LYS 925 N 1.05 0.40 -5.28 4.02 1.63 -1.65 -3.39 116.57 113.36 2ayx h LYS 925 Ca -0.50 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.24 2ayx h LYS 925 Cb 1.21 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 2ayx h LYS 925 CO 0.63 0.28 0.19 -2.30 -3.45 0.00 0.00 179.45 174.80 2ayx n PRO 926 N -4.86 0.46 -3.90 1.90 -0.02 -1.26 -4.87 135.00 122.44 2ayx n PRO 926 Ca -0.01 -0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 60.31 2ayx n PRO 926 Cb 0.03 -3.47 -0.16 0.00 -0.02 0.00 0.00 33.50 29.88 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 13.76 1.17 0.42 -1.45 1.01 -1.26 -5.08 120.40 128.98 2ayx s VAL 927 Ca 0.94 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 62.28 2ayx s VAL 927 Cb -0.18 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 34.91 2ayx s VAL 927 CO 0.13 0.10 0.57 0.35 0.00 0.00 0.00 175.10 176.25 2ayx n THR 928 N 4.85 0.00 -0.20 3.92 -2.24 -1.26 -4.82 114.28 114.53 2ayx n THR 928 Ca -0.12 -1.43 -0.00 0.00 -2.27 0.00 0.00 64.05 60.23 2ayx n THR 928 Cb 0.47 -0.61 0.10 0.00 -2.10 0.00 0.00 70.33 68.20 2ayx n THR 928 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2ayx h LEU 929 N 0.00 0.23 -0.85 3.22 7.12 -2.00 0.78 115.31 123.82 2ayx h LEU 929 Ca -0.20 0.07 -0.10 0.00 0.13 0.00 0.00 57.88 57.79 2ayx h LEU 929 Cb 0.91 0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 41.08 2ayx h LEU 929 CO 0.29 0.14 -0.19 -0.78 -0.13 0.00 0.00 178.44 177.78 2ayx h ASP 930 N 0.41 0.65 0.00 1.25 1.82 -1.99 -2.34 116.42 116.22 2ayx h ASP 930 Ca 0.30 -0.21 -0.19 0.00 -0.39 0.00 0.00 57.03 56.54 2ayx h ASP 930 Cb 0.36 -0.18 0.02 0.00 0.68 0.00 0.00 39.33 40.21 2ayx h ASP 930 CO -0.30 0.84 -0.74 0.58 -1.61 0.00 0.00 179.24 178.01 2ayx h VAL 931 N 0.58 1.39 -0.73 2.25 2.07 -1.65 -1.29 116.25 118.87 2ayx h VAL 931 Ca 0.09 -2.14 -0.04 0.00 0.82 0.00 0.00 66.70 65.43 2ayx h VAL 931 Cb 0.64 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.93 2ayx h VAL 931 CO 0.05 0.64 0.29 -0.29 0.02 0.00 0.00 177.57 178.27 2ayx h ILE 932 N 0.04 1.25 -0.11 4.57 2.10 -0.89 -0.06 117.51 124.40 2ayx h ILE 932 Ca -0.09 -0.78 -0.01 0.00 1.08 0.00 0.00 64.86 65.06 2ayx h ILE 932 Cb 1.44 0.37 -0.00 0.00 -1.09 0.00 0.00 36.82 37.54 2ayx h ILE 932 CO 0.15 0.31 0.02 0.50 -1.08 0.00 0.00 178.15 178.05 2ayx h LYS 933 N 1.06 0.18 -0.10 2.19 3.11 -1.40 -0.52 116.57 121.08 2ayx h LYS 933 Ca 0.25 -0.05 0.01 0.00 -2.81 0.00 0.00 60.65 58.05 2ayx h LYS 933 Cb 0.20 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.40 2ayx h LYS 933 CO -0.02 0.38 0.04 1.96 -2.81 0.00 0.00 179.45 178.99 2ayx h GLN 934 N -0.05 0.09 -0.42 1.90 1.08 -0.94 0.17 115.11 116.94 2ayx h GLN 934 Ca 0.03 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 2ayx h GLN 934 Cb 0.29 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2ayx h GLN 934 CO 0.00 0.06 0.08 1.15 -0.95 0.00 0.00 178.83 179.17 2ayx h THR 935 N 0.09 1.24 -0.56 -0.54 2.02 -1.00 0.46 112.91 114.61 2ayx h THR 935 Ca 0.04 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 2ayx h THR 935 Cb 0.02 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 2ayx h THR 935 CO -0.04 0.29 0.26 -0.07 0.37 0.00 0.00 175.52 176.33 2ayx h LEU 936 N 0.54 0.75 -0.74 2.58 4.07 -0.94 -1.61 115.31 119.96 2ayx h LEU 936 Ca 0.13 -0.14 -0.12 0.00 0.08 0.00 0.00 57.88 57.83 2ayx h LEU 936 Cb 0.35 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 2ayx h LEU 936 CO 0.01 0.68 -0.30 0.74 -1.08 0.00 0.00 178.44 178.48 2ayx h THR 937 N 0.76 1.28 -0.39 0.22 2.02 -0.80 0.52 112.91 116.53 2ayx h THR 937 Ca 0.19 -1.41 -0.06 0.00 0.77 0.00 0.00 66.41 65.90 2ayx h THR 937 Cb 0.14 1.38 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2ayx h THR 937 CO -0.02 0.46 -0.01 0.25 0.37 0.00 0.00 175.52 176.57 2ayx h LEU 938 N 0.54 0.59 0.11 2.58 5.85 -0.56 0.31 115.31 124.73 2ayx h LEU 938 Ca 0.07 -0.13 -0.28 0.00 0.84 0.00 0.00 57.88 58.38 2ayx h LEU 938 Cb 0.79 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 41.67 2ayx h LEU 938 CO 0.06 0.67 -1.25 1.88 -0.34 0.00 0.00 178.44 179.46 2ayx h TYR 939 N 0.59 0.67 -0.59 1.25 -1.99 -1.03 -2.55 116.97 113.32 2ayx h TYR 939 Ca 0.12 -0.46 -0.06 0.00 2.00 0.00 0.00 58.73 60.33 2ayx h TYR 939 Cb 0.39 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.06 2ayx h TYR 939 CO 0.02 1.34 0.12 0.00 -0.00 0.00 0.00 178.16 179.63 2ayx h ALA 940 N 0.49 0.78 -0.26 3.88 0.00 -0.60 -1.00 119.26 122.54 2ayx h ALA 940 Ca -0.16 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.38 2ayx h ALA 940 Cb 1.95 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2ayx h ALA 940 CO 0.22 0.51 -0.37 1.05 0.00 0.00 0.00 179.25 180.66 2ayx h GLU 941 N 0.86 0.59 -0.08 0.00 4.11 -1.02 -0.21 114.58 118.83 2ayx h GLU 941 Ca 0.18 -0.28 -0.00 0.00 0.07 0.00 0.00 59.36 59.33 2ayx h GLU 941 Cb 0.39 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2ayx h GLU 941 CO 0.01 0.87 0.05 -0.09 0.07 0.00 0.00 179.01 179.91 2ayx h ARG 942 N 0.50 0.11 -0.01 1.06 9.65 -1.05 0.01 114.38 124.65 2ayx h ARG 942 Ca 0.05 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.78 2ayx h ARG 942 Cb 0.86 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.40 2ayx h ARG 942 CO 0.07 0.12 -0.62 -0.39 2.80 0.00 0.00 179.97 181.95 2ayx h VAL 943 N 0.06 1.44 0.03 0.20 -1.51 -1.16 -2.35 116.25 112.96 2ayx h VAL 943 Ca 0.03 -2.11 -0.00 0.00 -1.23 0.00 0.00 66.70 63.39 2ayx h VAL 943 Cb 0.04 2.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 2ayx h VAL 943 CO -0.01 0.61 -0.01 -0.09 -1.23 0.00 0.00 177.57 176.84 2ayx h ARG 944 N 0.04 -0.04 0.00 5.19 2.43 -0.68 -0.55 114.38 120.77 2ayx h ARG 944 Ca -0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ayx h ARG 944 Cb 1.11 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 2ayx h ARG 944 CO 0.08 0.15 0.00 1.57 -1.51 0.00 0.00 179.97 180.26 2ayx h LYS 945 N -0.22 0.00 0.00 0.20 2.10 -0.99 0.34 116.57 118.00 2ayx h LYS 945 Ca -0.00 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.54 2ayx h LYS 945 Cb 0.20 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.52 2ayx h LYS 945 CO 0.01 0.00 -0.60 0.77 -2.00 0.00 0.00 179.45 177.62 2ayx h SER 946 N 0.00 0.00 0.00 7.07 0.02 -1.20 -3.36 113.55 116.08 2ayx h SER 946 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 2ayx h SER 946 Cb 0.65 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2ayx h SER 946 CO 0.00 0.48 -0.41 -0.09 -1.14 0.00 0.00 176.83 175.68 2ayx h ARG 947 N 0.00 0.00 -3.72 3.45 1.12 -0.45 -3.49 114.38 111.30 2ayx h ARG 947 Ca -0.02 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 58.66 2ayx h ARG 947 Cb 1.39 0.00 -0.24 0.00 -0.01 0.00 0.00 29.97 31.11 2ayx h ARG 947 CO 0.06 0.65 -0.65 0.34 -3.11 0.00 0.00 179.97 177.26 2ayx s ASP 948 N -6.18 0.06 0.00 -3.80 2.15 0.05 -5.10 116.67 103.85 2ayx s ASP 948 Ca -0.17 -0.15 0.00 0.00 0.43 0.00 0.00 52.55 52.66 2ayx s ASP 948 Cb 0.01 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2ayx s ASP 948 CO 0.45 -0.17 0.00 -1.20 -0.17 0.00 0.00 175.17 174.08