#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 1.74 0.00 3.03 0.00 -1.26 -4.74 105.19 103.96 2ayx n GLY 697 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 1.17 3.77 -0.02 0.00 -1.26 -5.13 105.19 103.72 2ayx n GLY 698 Ca 0.00 0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 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 6.14 0.00 1.61 0.01 -1.26 -4.99 113.70 115.21 2ayx s SER 699 Ca 0.00 2.89 0.00 0.00 1.31 0.00 0.00 55.95 60.15 2ayx s SER 699 Cb 0.00 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2ayx s SER 699 CO 0.00 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.27 2ayx n GLY 700 N 0.58 1.98 3.69 3.44 0.00 -1.25 -5.13 105.19 108.49 2ayx n GLY 700 Ca 0.03 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 2ayx n GLY 700 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ayx s VAL 701 N 2.70 3.17 -1.06 1.61 -7.23 -0.66 -5.01 120.40 113.92 2ayx s VAL 701 Ca 0.00 -1.80 -0.03 0.00 -1.81 0.00 0.00 61.98 58.34 2ayx s VAL 701 Cb 0.00 -2.92 0.23 0.00 0.56 0.00 0.00 36.38 34.25 2ayx s VAL 701 CO 0.00 -0.26 2.12 1.21 -0.31 0.00 0.00 175.10 177.86 2ayx n GLU 702 N -1.04 4.61 0.00 4.82 2.13 -1.26 -3.66 120.64 126.24 2ayx n GLU 702 Ca -0.05 -3.94 0.00 0.00 0.66 0.00 0.00 57.16 53.83 2ayx n GLU 702 Cb 0.60 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.84 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ayx n GLY 703 N 0.56 -1.20 4.40 8.31 0.00 -0.70 -4.87 105.19 111.69 2ayx n GLY 703 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -1.88 0.00 -3.59 0.99 4.32 -1.22 -4.63 117.00 110.98 2ayx n LEU 704 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 56.01 55.58 2ayx n LEU 704 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 2ayx n LEU 704 CO 0.00 0.00 2.36 -1.20 -1.22 0.00 0.00 177.39 177.33 2ayx n SER 705 N 0.32 3.39 -0.52 -1.43 7.64 -1.14 -3.45 113.62 118.44 2ayx n SER 705 Ca 0.00 -2.68 -0.02 0.00 1.01 0.00 0.00 58.87 57.18 2ayx n SER 705 Cb 0.00 -1.28 -0.02 0.00 -1.01 0.00 0.00 64.21 61.90 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 4.29 0.19 2.98 0.23 0.00 -1.26 -4.88 105.19 106.74 2ayx n GLY 706 Ca 0.51 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.34 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 0.73 -0.03 1.61 -0.14 -1.22 -5.06 119.74 115.62 2ayx s LYS 707 Ca 0.00 -0.26 -0.17 0.00 -1.36 0.00 0.00 55.97 54.19 2ayx s LYS 707 Cb 0.00 -0.70 -0.05 0.00 -1.68 0.00 0.00 37.83 35.39 2ayx s LYS 707 CO 0.00 0.12 0.46 1.03 -0.76 0.00 0.00 175.35 176.20 2ayx s ARG 708 N 0.06 4.13 -0.38 1.68 0.52 -1.26 -2.19 118.95 121.51 2ayx s ARG 708 Ca -0.01 0.48 -0.11 0.00 -0.52 0.00 0.00 55.73 55.57 2ayx s ARG 708 Cb -0.06 -3.30 0.03 0.00 0.52 0.00 0.00 34.95 32.13 2ayx s ARG 708 CO -0.00 0.48 0.21 0.00 0.02 0.00 0.00 175.30 176.02 2ayx s TRP 710 N 1.55 2.92 -0.51 0.00 0.52 -0.23 -0.50 118.94 122.69 2ayx s TRP 710 Ca 0.02 -0.96 -0.18 0.00 0.02 0.00 0.00 56.10 55.00 2ayx s TRP 710 Cb -0.19 -4.23 0.07 0.00 -1.15 0.00 0.00 33.47 27.97 2ayx s TRP 710 CO 0.07 -1.51 0.58 -1.17 0.02 0.00 0.00 176.95 174.94 2ayx s LEU 711 N 3.22 5.18 -0.43 2.99 2.96 0.09 -0.71 118.68 132.00 2ayx s LEU 711 Ca 0.24 -1.08 0.05 0.00 -0.22 0.00 0.00 54.13 53.11 2ayx s LEU 711 Cb -0.14 -2.37 0.61 0.00 0.50 0.00 0.00 46.19 44.79 2ayx s LEU 711 CO 0.02 -0.87 1.81 0.00 -1.32 0.00 0.00 176.35 175.99 2ayx n ALA 712 N 5.96 5.35 -2.57 5.97 0.00 0.13 -0.84 120.51 134.52 2ayx n ALA 712 Ca -0.08 -3.02 -0.41 0.00 0.00 0.00 0.00 53.44 49.92 2ayx n ALA 712 Cb 0.45 -1.28 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 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 -3.43 5.00 -0.35 0.00 1.01 -1.23 -2.63 120.40 118.76 2ayx s VAL 713 Ca 0.54 0.45 0.15 0.00 0.00 0.00 0.00 61.98 63.13 2ayx s VAL 713 Cb 0.46 -3.97 0.51 0.00 0.00 0.00 0.00 36.38 33.38 2ayx s VAL 713 CO 0.07 -0.20 1.41 0.54 0.00 0.00 0.00 175.10 176.92 2ayx n ARG 714 N 5.78 3.05 -3.12 2.72 1.74 -1.26 -4.64 116.66 120.93 2ayx n ARG 714 Ca -0.04 -2.71 -0.43 0.00 -0.77 0.00 0.00 57.85 53.90 2ayx n ARG 714 Cb 0.49 -1.76 -0.07 0.00 -1.02 0.00 0.00 32.46 30.10 2ayx n ARG 714 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2ayx s ASN 715 N -1.67 6.31 0.20 0.55 3.84 -1.26 -4.98 114.94 117.94 2ayx s ASN 715 Ca 0.39 -0.38 -0.19 0.00 0.21 0.00 0.00 52.86 52.89 2ayx s ASN 715 Cb 0.30 -2.32 0.15 0.00 -0.55 0.00 0.00 41.25 38.84 2ayx s ASN 715 CO 0.11 -0.78 1.59 0.00 -2.79 0.00 0.00 177.10 175.23 2ayx h ALA 716 N 8.88 0.04 -0.14 1.71 0.00 -1.98 0.76 119.26 128.54 2ayx h ALA 716 Ca -0.25 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2ayx h ALA 716 Cb 1.10 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.64 2ayx h ALA 716 CO 0.89 -0.64 0.09 0.77 0.00 0.00 0.00 179.25 180.37 2ayx h SER 717 N -0.13 0.16 -0.07 0.00 0.02 -1.99 -1.10 113.55 110.44 2ayx h SER 717 Ca 0.26 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2ayx h SER 717 Cb 0.55 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2ayx h SER 717 CO -0.71 0.14 -0.05 0.25 -1.14 0.00 0.00 176.83 175.33 2ayx h LEU 718 N 0.17 0.17 -0.18 5.07 6.46 -1.52 -2.55 115.31 122.93 2ayx h LEU 718 Ca 0.05 -0.44 -0.04 0.00 -0.12 0.00 0.00 57.88 57.34 2ayx h LEU 718 Cb 0.00 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 2ayx h LEU 718 CO -0.01 0.57 -0.04 0.00 -0.62 0.00 0.00 178.44 178.34 2ayx h GLN 720 N 0.07 0.56 0.46 0.00 -0.00 -1.28 0.43 115.11 115.35 2ayx h GLN 720 Ca 0.05 -0.09 -0.02 0.00 -0.00 0.00 0.00 58.65 58.59 2ayx h GLN 720 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 27.48 27.86 2ayx h GLN 720 CO 0.02 0.50 -0.22 0.35 0.00 0.00 0.00 178.83 179.48 2ayx h PHE 721 N 0.56 -0.58 -0.39 3.99 3.57 -1.24 -2.52 116.94 120.33 2ayx h PHE 721 Ca 0.13 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2ayx h PHE 721 Cb 0.18 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 2ayx h PHE 721 CO 0.01 -0.26 0.22 -0.07 -2.23 0.00 0.00 178.31 175.98 2ayx h LEU 722 N -0.91 0.48 -0.79 0.59 3.38 -1.17 -0.93 115.31 115.97 2ayx h LEU 722 Ca -0.06 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.83 2ayx h LEU 722 Cb 0.58 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 2ayx h LEU 722 CO 0.10 0.43 0.52 1.05 0.09 0.00 0.00 178.44 180.64 2ayx h GLU 723 N 0.50 1.03 0.08 1.13 -0.00 -0.97 -0.20 114.58 116.15 2ayx h GLU 723 Ca 0.14 -0.06 -0.25 0.00 -0.00 0.00 0.00 59.36 59.18 2ayx h GLU 723 Cb 0.05 -0.23 0.02 0.00 -0.00 0.00 0.00 28.75 28.60 2ayx h GLU 723 CO -0.02 0.68 -1.04 1.15 -0.00 0.00 0.00 179.01 179.78 2ayx h THR 724 N 1.06 1.34 -0.46 -1.06 2.02 -1.29 -2.39 112.91 112.12 2ayx h THR 724 Ca 0.29 -2.36 -0.07 0.00 0.77 0.00 0.00 66.41 65.04 2ayx h THR 724 Cb -0.10 2.69 -0.02 0.00 -1.74 0.00 0.00 68.15 68.98 2ayx h THR 724 CO -0.07 0.71 0.00 0.28 0.37 0.00 0.00 175.52 176.81 2ayx h SER 725 N 0.14 0.72 0.16 4.18 0.02 -0.97 -2.96 113.55 114.84 2ayx h SER 725 Ca -0.15 -0.17 -0.24 0.00 -0.84 0.00 0.00 61.79 60.39 2ayx h SER 725 Cb 1.74 -0.19 0.03 0.00 0.14 0.00 0.00 62.40 64.11 2ayx h SER 725 CO 0.20 0.79 -1.03 -0.07 -1.14 0.00 0.00 176.83 175.58 2ayx h LEU 726 N 0.71 0.63 -2.50 5.07 3.38 -1.10 -3.25 115.31 118.25 2ayx h LEU 726 Ca 0.14 -0.91 0.00 0.00 0.09 0.00 0.00 57.88 57.20 2ayx h LEU 726 Cb 0.43 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2ayx h LEU 726 CO 0.02 1.49 0.00 0.06 0.09 0.00 0.00 178.44 180.10 2ayx h GLN 727 N -0.12 0.00 -1.00 1.13 -0.00 -1.41 -1.90 115.11 111.81 2ayx h GLN 727 Ca -0.17 0.00 0.06 0.00 -0.00 0.00 0.00 58.65 58.54 2ayx h GLN 727 Cb 1.79 0.00 -0.07 0.00 -0.00 0.00 0.00 27.48 29.21 2ayx h GLN 727 CO 0.19 0.00 0.65 0.00 -0.00 0.00 0.00 178.83 179.67 2ayx h ARG 728 N 0.00 1.14 -0.39 0.06 3.08 -1.55 -1.57 114.38 115.15 2ayx h ARG 728 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2ayx h ARG 728 Cb 0.13 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2ayx h ARG 728 CO 0.00 0.76 0.00 0.43 -1.07 0.00 0.00 179.97 180.09 2ayx n SER 729 N -4.49 2.96 0.00 7.04 7.64 -0.75 -4.91 113.62 121.11 2ayx n SER 729 Ca 0.15 -1.93 0.00 0.00 1.01 0.00 0.00 58.87 58.10 2ayx n SER 729 Cb 0.18 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 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 1.40 0.81 3.64 0.23 0.00 -0.59 -2.86 105.19 107.81 2ayx n GLY 730 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.13 3.55 -0.99 -0.61 -1.09 -0.96 -4.05 121.20 114.91 2ayx s ILE 731 Ca 0.00 0.63 -0.23 0.00 -2.23 0.00 0.00 60.65 58.81 2ayx s ILE 731 Cb 0.00 -3.51 0.04 0.00 -1.58 0.00 0.00 42.46 37.41 2ayx s ILE 731 CO 0.00 -0.17 1.46 0.68 -1.23 0.00 0.00 174.94 175.67 2ayx s VAL 732 N 5.08 3.88 0.20 2.92 -7.23 -0.93 -3.67 120.40 120.65 2ayx s VAL 732 Ca 0.76 -0.63 -0.30 0.00 -1.81 0.00 0.00 61.98 60.00 2ayx s VAL 732 Cb -0.30 -5.00 -0.08 0.00 0.56 0.00 0.00 36.38 31.56 2ayx s VAL 732 CO 0.31 -1.89 1.20 -0.69 -0.31 0.00 0.00 175.10 173.72 2ayx s VAL 733 N 5.27 3.50 -0.08 1.32 1.01 -1.26 -1.24 120.40 128.91 2ayx s VAL 733 Ca 0.46 1.29 -0.03 0.00 0.00 0.00 0.00 61.98 63.70 2ayx s VAL 733 Cb -0.01 -3.82 0.04 0.00 0.00 0.00 0.00 36.38 32.59 2ayx s VAL 733 CO -0.07 0.22 0.16 -0.89 0.00 0.00 0.00 175.10 174.52 2ayx s THR 734 N -0.20 -0.11 -0.15 3.92 2.01 0.34 -4.91 115.64 116.55 2ayx s THR 734 Ca 0.52 0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.44 2ayx s THR 734 Cb -0.33 -0.27 -0.08 0.00 0.01 0.00 0.00 72.50 71.83 2ayx s THR 734 CO 0.38 0.09 2.11 0.41 -0.69 0.00 0.00 174.62 176.92 2ayx n THR 735 N 4.51 0.48 -2.83 -0.82 -1.04 -1.26 -0.73 114.28 112.58 2ayx n THR 735 Ca -0.21 -0.31 -0.43 0.00 -2.04 0.00 0.00 64.05 61.07 2ayx n THR 735 Cb 0.51 -2.31 -0.04 0.00 -1.82 0.00 0.00 70.33 66.67 2ayx n THR 735 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ayx s TYR 736 N 6.63 2.65 -0.66 -1.42 5.04 -0.02 -4.77 117.35 124.80 2ayx s TYR 736 Ca 0.98 -0.45 0.16 0.00 -2.44 0.00 0.00 57.07 55.32 2ayx s TYR 736 Cb -0.47 -4.29 -0.19 0.00 0.35 0.00 0.00 41.96 37.36 2ayx s TYR 736 CO 0.41 -1.65 0.65 0.39 -1.34 0.00 0.00 175.55 174.00 2ayx n GLU 737 N 7.82 1.46 0.00 4.97 1.02 -1.26 -4.53 120.64 130.12 2ayx n GLU 737 Ca -0.03 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 2ayx n GLU 737 Cb 0.46 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.59 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayx n GLY 738 N 1.41 -0.12 0.00 0.62 0.00 -1.26 -5.18 105.19 100.66 2ayx n GLY 738 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 2.54 -4.39 1.61 3.00 -1.26 -5.12 117.38 113.76 2ayx n GLN 739 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 2ayx n GLN 739 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 30.24 30.13 2ayx n GLN 739 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ayx s GLU 740 N 4.85 3.40 -0.17 -1.09 2.56 -1.26 -5.09 118.70 121.91 2ayx s GLU 740 Ca 0.00 -0.48 -0.26 0.00 0.00 0.00 0.00 54.97 54.23 2ayx s GLU 740 Cb 0.00 -2.87 -0.01 0.00 2.00 0.00 0.00 34.13 33.25 2ayx s GLU 740 CO 0.00 0.42 0.87 -1.25 -0.56 0.00 0.00 175.26 174.74 2ayx s PRO 741 N -0.11 4.31 -0.14 4.30 0.05 -1.26 -5.06 135.00 137.09 2ayx s PRO 741 Ca 0.03 1.10 -0.03 0.00 0.05 0.00 0.00 61.00 62.15 2ayx s PRO 741 Cb -0.13 -3.58 -0.03 0.00 0.05 0.00 0.00 34.50 30.82 2ayx s PRO 741 CO 0.02 -0.35 -0.02 0.99 0.05 0.00 0.00 177.00 177.68 2ayx s THR 742 N 2.23 4.04 -1.47 1.26 2.01 -1.26 -4.88 115.64 117.56 2ayx s THR 742 Ca 0.40 -0.32 0.09 0.00 0.31 0.00 0.00 61.69 62.18 2ayx s THR 742 Cb -0.17 -2.75 0.17 0.00 0.01 0.00 0.00 72.50 69.76 2ayx s THR 742 CO 0.13 0.52 1.17 -0.81 -0.69 0.00 0.00 174.62 174.93 2ayx n PRO 743 N 3.19 0.14 -0.00 4.92 -0.04 -1.26 -0.95 135.00 141.00 2ayx n PRO 743 Ca -0.18 0.18 0.02 0.00 -0.04 0.00 0.00 63.50 63.49 2ayx n PRO 743 Cb 0.53 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.51 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 -1.27 -0.22 -3.65 0.54 -0.58 -1.26 -2.48 120.64 111.71 2ayx n GLU 744 Ca 0.05 -0.81 -0.20 0.00 -0.42 0.00 0.00 57.16 55.78 2ayx n GLU 744 Cb 0.07 -1.08 -0.02 0.00 -0.57 0.00 0.00 31.44 29.83 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 -0.39 5.52 -0.03 1.62 1.01 -0.13 -4.70 116.67 119.56 2ayx s ASP 745 Ca 0.05 -0.40 0.04 0.00 0.71 0.00 0.00 52.55 52.95 2ayx s ASP 745 Cb 0.04 -1.02 -0.00 0.00 1.01 0.00 0.00 42.92 42.94 2ayx s ASP 745 CO 0.05 -0.41 -0.14 0.54 0.21 0.00 0.00 175.17 175.42 2ayx s VAL 746 N -2.27 1.19 -0.48 -1.27 0.11 -1.24 -0.86 120.40 115.57 2ayx s VAL 746 Ca 0.43 -0.59 -0.16 0.00 -2.93 0.00 0.00 61.98 58.74 2ayx s VAL 746 Cb -0.07 -1.02 0.08 0.00 -1.53 0.00 0.00 36.38 33.83 2ayx s VAL 746 CO 0.28 0.35 0.41 -0.22 -3.33 0.00 0.00 175.10 172.60 2ayx s LEU 747 N 0.04 5.63 -0.42 2.54 0.20 -0.93 -1.07 118.68 124.67 2ayx s LEU 747 Ca -0.02 -1.33 -0.16 0.00 0.69 0.00 0.00 54.13 53.30 2ayx s LEU 747 Cb -0.10 -2.20 0.03 0.00 -0.43 0.00 0.00 46.19 43.49 2ayx s LEU 747 CO 0.01 -0.67 0.35 -0.63 -0.29 0.00 0.00 176.35 175.12 2ayx s ILE 748 N 1.69 5.20 0.25 6.68 1.01 0.11 -0.60 121.20 135.54 2ayx s ILE 748 Ca 0.05 -0.60 0.11 0.00 0.00 0.00 0.00 60.65 60.20 2ayx s ILE 748 Cb -0.24 -3.98 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 2ayx s ILE 748 CO 0.07 -0.37 -0.14 0.28 0.00 0.00 0.00 174.94 174.77 2ayx s THR 749 N 1.82 2.81 -0.12 2.92 -1.32 -0.03 -0.69 115.64 121.03 2ayx s THR 749 Ca 0.07 -2.13 -0.04 0.00 -1.21 0.00 0.00 61.69 58.38 2ayx s THR 749 Cb -0.19 -2.46 -0.04 0.00 -1.51 0.00 0.00 72.50 68.31 2ayx s THR 749 CO 0.11 -0.32 0.03 1.51 -2.21 0.00 0.00 174.62 173.74 2ayx s ASP 750 N -3.35 5.46 0.96 8.08 -4.77 -1.08 -1.21 116.67 120.75 2ayx s ASP 750 Ca 0.28 0.15 0.00 0.00 -3.30 0.00 0.00 52.55 49.68 2ayx s ASP 750 Cb -0.06 -1.71 0.00 0.00 -1.09 0.00 0.00 42.92 40.05 2ayx s ASP 750 CO 0.16 0.31 0.00 -0.62 0.70 0.00 0.00 175.17 175.72 2ayx n GLU 751 N 2.59 0.00 -2.64 2.11 -0.58 0.34 -4.36 120.64 118.09 2ayx n GLU 751 Ca -0.18 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.14 2ayx n GLU 751 Cb 0.53 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.37 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 4.08 -0.49 2.62 1.01 -1.26 -4.73 120.40 121.63 2ayx s VAL 752 Ca 0.00 -0.83 0.25 0.00 0.00 0.00 0.00 61.98 61.39 2ayx s VAL 752 Cb 0.00 -4.98 0.32 0.00 0.00 0.00 0.00 36.38 31.72 2ayx s VAL 752 CO 0.00 -1.83 1.70 1.62 0.00 0.00 0.00 175.10 176.59 2ayx h VAL 753 N 6.52 0.00 -5.80 2.92 3.04 -1.97 -3.48 116.25 117.49 2ayx h VAL 753 Ca 0.14 -0.75 -0.34 0.00 -1.01 0.00 0.00 66.70 64.74 2ayx h VAL 753 Cb 1.02 1.74 0.14 0.00 -2.01 0.00 0.00 31.29 32.18 2ayx h VAL 753 CO 1.35 0.00 -0.86 -1.20 -1.01 0.00 0.00 177.57 175.84 2ayx n SER 754 N -2.79 -4.67 -4.18 3.17 7.64 -1.26 -5.03 113.62 106.50 2ayx n SER 754 Ca 0.04 -0.80 -0.17 0.00 1.01 0.00 0.00 58.87 58.96 2ayx n SER 754 Cb 0.46 -4.52 -0.11 0.00 -1.01 0.00 0.00 64.21 59.04 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 -5.22 0.84 -0.19 1.43 2.20 -1.26 -5.07 119.74 112.46 2ayx s LYS 755 Ca 0.32 -1.05 -0.09 0.00 -0.36 0.00 0.00 55.97 54.79 2ayx s LYS 755 Cb -0.07 -0.71 -0.21 0.00 -1.51 0.00 0.00 37.83 35.34 2ayx s LYS 755 CO 0.78 0.14 0.09 1.63 -0.36 0.00 0.00 175.35 177.63 2ayx n LYS 756 N 0.94 0.67 -2.14 4.03 4.76 -1.26 -5.09 118.16 120.08 2ayx n LYS 756 Ca -0.19 0.30 -0.02 0.00 -2.87 0.00 0.00 58.31 55.53 2ayx n LYS 756 Cb 0.56 -1.64 -0.02 0.00 -1.84 0.00 0.00 35.03 32.09 2ayx n LYS 756 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2ayx n TRP 757 N -3.72 -2.47 -1.54 2.13 -0.00 -1.26 -4.76 117.44 105.81 2ayx n TRP 757 Ca -0.39 1.34 -0.40 0.00 -0.00 0.00 0.00 57.50 58.05 2ayx n TRP 757 Cb 0.94 -2.90 -0.02 0.00 -0.00 0.00 0.00 31.31 29.33 2ayx n TRP 757 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 2ayx n GLN 758 N 0.78 3.47 0.00 5.87 -0.06 -1.26 -4.78 117.38 121.39 2ayx n GLN 758 Ca -0.16 -2.47 0.00 0.00 -2.00 0.00 0.00 57.00 52.36 2ayx n GLN 758 Cb 0.25 -2.96 0.00 0.00 -4.06 0.00 0.00 30.24 23.47 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ayx n GLY 759 N 3.61 5.23 0.07 1.69 0.00 -1.26 -4.21 105.19 110.31 2ayx n GLY 759 Ca 0.67 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 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 0.06 -1.90 1.61 2.43 -0.68 -3.44 114.38 112.46 2ayx h ARG 760 Ca 0.00 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 2ayx h ARG 760 Cb 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.36 2ayx h ARG 760 CO 0.00 0.56 0.45 0.00 -1.51 0.00 0.00 179.97 179.47 2ayx s ALA 761 N -4.13 -1.86 -0.09 2.80 0.00 -1.22 -4.75 121.76 112.52 2ayx s ALA 761 Ca -0.16 1.34 0.04 0.00 0.00 0.00 0.00 51.96 53.18 2ayx s ALA 761 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2ayx s ALA 761 CO 0.69 -0.44 -0.23 0.54 0.00 0.00 0.00 175.76 176.32 2ayx s VAL 762 N -1.77 2.22 -0.12 0.00 0.11 -0.04 -2.18 120.40 118.62 2ayx s VAL 762 Ca -0.02 -0.98 0.02 0.00 -2.93 0.00 0.00 61.98 58.07 2ayx s VAL 762 Cb -0.01 -1.85 0.01 0.00 -1.53 0.00 0.00 36.38 33.01 2ayx s VAL 762 CO -0.00 0.56 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.46 2ayx s VAL 763 N 0.14 1.74 -0.19 2.04 1.01 0.23 -0.87 120.40 124.49 2ayx s VAL 763 Ca -0.12 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2ayx s VAL 763 Cb -0.16 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2ayx s VAL 763 CO 0.07 0.49 -0.06 -0.89 0.00 0.00 0.00 175.10 174.70 2ayx s THR 764 N 0.92 3.43 -0.42 3.92 2.01 0.18 -0.85 115.64 124.84 2ayx s THR 764 Ca -0.07 -0.50 -0.18 0.00 0.31 0.00 0.00 61.69 61.26 2ayx s THR 764 Cb -0.15 -2.52 0.02 0.00 0.01 0.00 0.00 72.50 69.86 2ayx s THR 764 CO -0.02 0.46 0.49 -0.36 -0.69 0.00 0.00 174.62 174.50 2ayx s PHE 765 N 0.99 3.14 -0.10 4.92 0.08 -0.35 -0.71 117.98 125.96 2ayx s PHE 765 Ca -0.00 -0.27 -0.15 0.00 0.12 0.00 0.00 56.93 56.63 2ayx s PHE 765 Cb -0.15 -3.00 -0.05 0.00 -0.57 0.00 0.00 43.02 39.25 2ayx s PHE 765 CO 0.00 -0.73 0.37 0.00 -0.10 0.00 0.00 175.22 174.76 2ayx n ARG 767 N 3.07 0.61 0.00 0.00 0.00 -1.26 -2.36 116.66 116.72 2ayx n ARG 767 Ca -0.11 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2ayx n ARG 767 Cb 0.52 -1.11 0.00 0.00 0.00 0.00 0.00 32.46 31.87 2ayx n ARG 767 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2ayx n ARG 768 N -2.59 0.76 -5.18 -0.14 0.00 -1.26 -5.00 116.66 103.25 2ayx n ARG 768 Ca -0.09 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.46 2ayx n ARG 768 Cb 0.61 -0.73 -0.16 0.00 0.00 0.00 0.00 32.46 32.18 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2ayx s HIS 769 N -1.47 2.23 -0.30 -0.14 3.76 -1.26 -5.10 115.29 113.01 2ayx s HIS 769 Ca 0.00 -0.42 0.02 0.00 -0.15 0.00 0.00 55.06 54.51 2ayx s HIS 769 Cb 0.00 -1.42 0.09 0.00 1.11 0.00 0.00 32.58 32.36 2ayx s HIS 769 CO 0.00 -0.01 0.02 0.42 -0.85 0.00 0.00 174.74 174.32 2ayx s ILE 770 N -0.62 1.78 0.00 0.60 1.01 -1.26 -4.39 121.20 118.32 2ayx s ILE 770 Ca 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 58.94 2ayx s ILE 770 Cb -0.10 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2ayx s ILE 770 CO -0.00 -0.45 0.00 0.61 0.00 0.00 0.00 174.94 175.10 2ayx n GLY 771 N 4.50 0.03 3.76 6.18 0.00 -1.26 -5.02 105.19 113.38 2ayx n GLY 771 Ca -0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.83 5.22 0.71 -0.61 -1.09 -1.26 -5.05 121.20 117.29 2ayx s ILE 772 Ca 0.00 0.70 -0.11 0.00 -2.23 0.00 0.00 60.65 59.01 2ayx s ILE 772 Cb 0.00 -3.69 0.02 0.00 -1.58 0.00 0.00 42.46 37.21 2ayx s ILE 772 CO 0.00 0.42 1.09 -2.84 -1.23 0.00 0.00 174.94 172.39 2ayx s PRO 773 N 0.10 2.81 0.00 2.79 0.02 -1.26 -4.89 135.00 134.58 2ayx s PRO 773 Ca 0.21 0.42 0.00 0.00 0.02 0.00 0.00 61.00 61.64 2ayx s PRO 773 Cb -0.14 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2ayx s PRO 773 CO 0.08 -1.05 0.00 1.47 -0.33 0.00 0.00 177.00 177.16 2ayx n LEU 774 N -3.01 0.00 -3.13 -5.54 -0.00 -1.26 -4.09 117.00 99.97 2ayx n LEU 774 Ca 0.07 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.95 2ayx n LEU 774 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.98 2ayx n LEU 774 CO 0.57 0.00 1.60 -0.62 -0.00 0.00 0.00 177.39 178.94 2ayx n GLU 775 N 0.00 0.86 -0.00 1.47 1.02 0.31 -3.71 120.64 120.59 2ayx n GLU 775 Ca 0.00 -0.96 0.09 0.00 -0.02 0.00 0.00 57.16 56.27 2ayx n GLU 775 Cb 0.00 -2.25 -0.11 0.00 -0.02 0.00 0.00 31.44 29.06 2ayx n GLU 775 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2ayx n LYS 776 N 4.99 0.86 -4.06 3.49 2.85 -1.26 -4.95 118.16 120.08 2ayx n LYS 776 Ca 0.22 -0.04 -0.13 0.00 -1.05 0.00 0.00 58.31 57.31 2ayx n LYS 776 Cb 0.10 -1.39 -0.11 0.00 -0.65 0.00 0.00 35.03 32.98 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 -2.87 0.54 -0.44 0.58 0.00 -1.24 -5.09 121.76 113.23 2ayx s ALA 777 Ca 0.04 -0.76 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 2ayx s ALA 777 Cb 0.13 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.25 2ayx s ALA 777 CO 0.76 -0.03 2.26 -1.25 0.00 0.00 0.00 175.76 177.50 2ayx s PRO 778 N -1.59 2.45 0.00 0.00 0.04 -1.26 -2.19 135.00 132.44 2ayx s PRO 778 Ca -0.10 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.36 2ayx s PRO 778 Cb -0.10 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 29.95 2ayx s PRO 778 CO 0.00 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 174.56 2ayx n GLY 779 N 5.88 1.01 3.64 0.56 0.00 -1.26 -5.04 105.19 109.97 2ayx n GLY 779 Ca 0.32 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.23 4.08 -0.03 1.61 2.12 -0.93 -0.86 118.70 124.45 2ayx s GLU 780 Ca 0.00 0.01 0.02 0.00 0.36 0.00 0.00 54.97 55.36 2ayx s GLU 780 Cb 0.00 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.80 2ayx s GLU 780 CO 0.00 -0.13 -0.07 -1.58 -0.54 0.00 0.00 175.26 172.95 2ayx s TRP 781 N 1.60 0.77 0.03 5.30 0.52 -0.05 -0.53 118.94 126.58 2ayx s TRP 781 Ca 0.14 -0.19 -0.01 0.00 0.02 0.00 0.00 56.10 56.06 2ayx s TRP 781 Cb -0.15 -0.58 -0.02 0.00 -1.15 0.00 0.00 33.47 31.57 2ayx s TRP 781 CO 0.08 -0.10 -0.00 0.14 0.02 0.00 0.00 176.95 177.09 2ayx s VAL 782 N 0.34 0.13 -0.24 4.03 -7.23 -1.26 -0.64 120.40 115.52 2ayx s VAL 782 Ca -0.05 -1.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.98 2ayx s VAL 782 Cb -0.09 -0.54 0.11 0.00 0.56 0.00 0.00 36.38 36.42 2ayx s VAL 782 CO 0.00 -0.58 0.52 -2.28 -0.31 0.00 0.00 175.10 172.45 2ayx s HIS 783 N -1.97 -1.05 -0.64 2.82 2.46 0.11 -4.91 115.29 112.11 2ayx s HIS 783 Ca -0.11 1.88 -0.22 0.00 0.47 0.00 0.00 55.06 57.08 2ayx s HIS 783 Cb -0.06 0.53 0.08 0.00 -0.13 0.00 0.00 32.58 32.99 2ayx s HIS 783 CO -0.03 -0.57 0.91 -1.12 -2.47 0.00 0.00 174.74 171.46 2ayx s SER 784 N 2.74 6.18 0.05 9.88 0.01 -1.26 -2.12 113.70 129.18 2ayx s SER 784 Ca -0.03 -1.07 -0.05 0.00 1.31 0.00 0.00 55.95 56.10 2ayx s SER 784 Cb -0.12 -2.39 0.02 0.00 0.21 0.00 0.00 66.02 63.73 2ayx s SER 784 CO -0.16 -1.37 0.25 1.33 0.41 0.00 0.00 173.24 173.71 2ayx n VAL 785 N 5.85 0.00 -2.60 3.43 0.24 -1.00 -4.89 118.33 119.35 2ayx n VAL 785 Ca -0.05 -0.15 -0.31 0.00 -2.04 0.00 0.00 64.34 61.79 2ayx n VAL 785 Cb 0.45 0.20 -0.01 0.00 -1.47 0.00 0.00 33.84 33.01 2ayx n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ayx n ALA 786 N -2.44 5.26 -3.56 2.33 0.00 -1.26 -4.64 120.51 116.20 2ayx n ALA 786 Ca -0.04 -4.49 -0.25 0.00 0.00 0.00 0.00 53.44 48.66 2ayx n ALA 786 Cb 0.15 -1.04 0.04 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.34 -2.56 -0.99 0.00 0.00 -1.26 -4.85 120.51 110.51 2ayx n ALA 787 Ca 0.39 -0.17 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 2ayx n ALA 787 Cb 0.44 -3.78 -0.07 0.00 0.00 0.00 0.00 19.45 16.04 2ayx n ALA 787 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ayx n PRO 788 N -3.66 1.85 0.00 0.00 -0.05 -1.26 -4.75 135.00 127.13 2ayx n PRO 788 Ca -0.10 -1.19 0.00 0.00 -0.05 0.00 0.00 63.50 62.17 2ayx n PRO 788 Cb 0.59 -1.75 0.00 0.00 -0.05 0.00 0.00 33.50 32.29 2ayx n PRO 788 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 175.50 173.06 2ayx n HIS 789 N 1.56 0.00 -0.01 0.54 1.44 -1.26 -4.76 115.22 112.73 2ayx n HIS 789 Ca 0.33 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.92 2ayx n HIS 789 Cb 0.69 -0.35 -0.10 0.00 0.12 0.00 0.00 29.99 30.35 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 0.72 -0.07 -0.00 -1.40 -0.00 -2.00 -3.08 114.58 108.74 2ayx h GLU 790 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.37 2ayx h GLU 790 Cb 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.76 2ayx h GLU 790 CO 0.00 0.52 -0.04 1.25 -0.00 0.00 0.00 179.01 180.74 2ayx h LEU 791 N -0.76 -0.11 -1.66 3.06 5.85 -1.94 -1.50 115.31 118.25 2ayx h LEU 791 Ca -0.01 0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.84 2ayx h LEU 791 Cb 0.62 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2ayx h LEU 791 CO 0.01 -0.06 0.42 1.55 -0.34 0.00 0.00 178.44 180.02 2ayx h PRO 792 N -0.07 0.36 0.03 5.25 0.13 -1.97 0.60 132.00 136.33 2ayx h PRO 792 Ca 0.02 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 2ayx h PRO 792 Cb 0.09 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2ayx h PRO 792 CO -0.04 0.24 -0.01 0.00 -0.23 0.00 0.00 178.00 177.95 2ayx h ALA 793 N 1.69 -0.04 -0.28 -0.56 0.00 -1.29 -1.51 119.26 117.28 2ayx h ALA 793 Ca 0.29 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 2ayx h ALA 793 Cb 0.64 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2ayx h ALA 793 CO -0.08 -0.36 -0.06 -0.07 0.00 0.00 0.00 179.25 178.68 2ayx h LEU 794 N -0.36 0.42 -0.34 0.00 3.38 -0.69 -2.61 115.31 115.11 2ayx h LEU 794 Ca -0.00 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 2ayx h LEU 794 Cb 0.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2ayx h LEU 794 CO 0.01 0.53 -0.07 -0.07 0.09 0.00 0.00 178.44 178.93 2ayx h LEU 795 N 0.42 0.65 -1.27 1.67 -0.00 -0.79 0.78 115.31 116.76 2ayx h LEU 795 Ca 0.09 -0.36 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2ayx h LEU 795 Cb 0.38 -0.18 -0.03 0.00 -0.00 0.00 0.00 40.66 40.82 2ayx h LEU 795 CO 0.02 0.86 0.46 0.00 -0.00 0.00 0.00 178.44 179.77 2ayx h ALA 796 N 0.82 1.47 -0.03 1.53 0.00 -1.04 -2.04 119.26 119.96 2ayx h ALA 796 Ca 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ayx h ALA 796 Cb 0.56 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ayx h ALA 796 CO 0.03 0.48 -0.07 -0.09 0.00 0.00 0.00 179.25 179.60 2ayx h ARG 797 N 0.97 0.11 0.00 0.00 2.43 -1.22 -3.22 114.38 113.44 2ayx h ARG 797 Ca 0.26 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2ayx h ARG 797 Cb -0.09 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2ayx h ARG 797 CO -0.05 0.67 0.00 0.97 -1.51 0.00 0.00 179.97 180.05 2ayx h ILE 798 N -0.44 0.00 -0.75 1.20 2.10 -0.59 -0.95 117.51 118.07 2ayx h ILE 798 Ca -0.00 -0.11 -0.05 0.00 1.08 0.00 0.00 64.86 65.78 2ayx h ILE 798 Cb 0.67 0.94 -0.03 0.00 -1.09 0.00 0.00 36.82 37.31 2ayx h ILE 798 CO 0.02 0.00 0.29 1.88 -1.08 0.00 0.00 178.15 179.26 2ayx h TYR 799 N 0.00 1.15 -6.62 2.19 0.05 -1.38 -3.47 116.97 108.88 2ayx h TYR 799 Ca 0.00 -0.09 -0.49 0.00 0.05 0.00 0.00 58.73 58.20 2ayx h TYR 799 Cb 0.13 -0.34 0.01 0.00 1.01 0.00 0.00 36.73 37.54 2ayx h TYR 799 CO 0.00 0.88 -0.96 1.28 -1.05 0.00 0.00 178.16 178.31 2ayx n LEU 800 N -4.28 -1.74 -0.05 3.88 4.77 -0.36 -4.94 117.00 114.27 2ayx n LEU 800 Ca 0.07 -1.06 -0.05 0.00 -0.03 0.00 0.00 56.01 54.94 2ayx n LEU 800 Cb 0.19 -1.90 -0.02 0.00 -2.33 0.00 0.00 43.42 39.37 2ayx n LEU 800 CO 0.41 0.48 -0.36 -0.38 -1.33 0.00 0.00 177.39 176.20 2ayx n ILE 801 N -3.89 0.97 -1.09 -0.08 5.41 -1.26 -4.97 119.36 114.45 2ayx n ILE 801 Ca -0.17 0.28 -0.03 0.00 1.00 0.00 0.00 62.75 63.84 2ayx n ILE 801 Cb 0.61 -2.07 -0.01 0.00 -0.71 0.00 0.00 39.64 37.45 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 -3.81 -1.47 -3.77 0.38 -0.58 -1.26 -4.97 120.64 105.17 2ayx n GLU 802 Ca -0.07 0.52 -0.22 0.00 -0.42 0.00 0.00 57.16 56.97 2ayx n GLU 802 Cb 0.28 -4.68 -0.02 0.00 -0.57 0.00 0.00 31.44 26.45 2ayx n GLU 802 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2ayx s MET 803 N -1.90 3.44 0.62 3.49 -1.94 -1.24 -1.66 119.30 120.12 2ayx s MET 803 Ca 0.00 -0.64 -0.08 0.00 -1.71 0.00 0.00 55.69 53.27 2ayx s MET 803 Cb 0.00 -2.82 0.01 0.00 2.01 0.00 0.00 34.83 34.03 2ayx s MET 803 CO 0.00 0.33 0.96 -1.83 -0.01 0.00 0.00 175.02 174.47 2ayx s GLU 804 N -4.09 2.95 -0.08 2.03 4.04 -1.26 -1.72 118.70 120.56 2ayx s GLU 804 Ca 0.36 0.17 -0.03 0.00 0.04 0.00 0.00 54.97 55.51 2ayx s GLU 804 Cb -0.09 -2.19 0.04 0.00 0.02 0.00 0.00 34.13 31.91 2ayx s GLU 804 CO 0.31 -0.78 0.17 -1.12 -1.84 0.00 0.00 175.26 172.00 2ayx s SER 805 N -4.31 -0.11 0.19 0.83 0.01 -1.26 -4.79 113.70 104.25 2ayx s SER 805 Ca 0.55 0.36 0.05 0.00 1.31 0.00 0.00 55.95 58.21 2ayx s SER 805 Cb -0.11 0.24 -0.05 0.00 0.21 0.00 0.00 66.02 66.32 2ayx s SER 805 CO 0.47 -0.16 -0.08 1.51 0.41 0.00 0.00 173.24 175.39 2ayx s ASP 806 N 1.25 2.01 -0.29 2.44 1.47 -1.26 -4.97 116.67 117.31 2ayx s ASP 806 Ca -0.09 -1.07 0.02 0.00 1.18 0.00 0.00 52.55 52.59 2ayx s ASP 806 Cb -0.11 -0.04 0.18 0.00 -0.34 0.00 0.00 42.92 42.61 2ayx s ASP 806 CO -0.07 -0.34 0.52 -0.62 0.68 0.00 0.00 175.17 175.34 2ayx s ASP 807 N -3.25 -0.82 0.45 2.11 2.15 -1.26 -5.16 116.67 110.90 2ayx s ASP 807 Ca 0.21 0.21 -0.21 0.00 0.43 0.00 0.00 52.55 53.19 2ayx s ASP 807 Cb 0.03 1.71 -0.09 0.00 -0.30 0.00 0.00 42.92 44.27 2ayx s ASP 807 CO 0.04 -0.30 1.02 -2.84 -0.17 0.00 0.00 175.17 172.92 2ayx s PRO 808 N 2.73 3.97 -0.30 4.34 0.02 -1.26 -5.07 135.00 139.43 2ayx s PRO 808 Ca 0.13 1.35 -0.12 0.00 0.02 0.00 0.00 61.00 62.38 2ayx s PRO 808 Cb -0.12 -2.22 0.12 0.00 0.02 0.00 0.00 34.50 32.30 2ayx s PRO 808 CO -0.25 -0.29 0.68 0.00 -0.33 0.00 0.00 177.00 176.82 2ayx s ALA 809 N -1.94 -2.06 -0.09 -1.55 0.00 -1.26 -5.17 121.76 109.70 2ayx s ALA 809 Ca 0.64 2.35 -0.14 0.00 0.00 0.00 0.00 51.96 54.80 2ayx s ALA 809 Cb -0.16 -1.72 0.03 0.00 0.00 0.00 0.00 23.12 21.26 2ayx s ALA 809 CO 0.20 -0.81 0.36 1.21 0.00 0.00 0.00 175.76 176.72 2ayx s ASN 810 N 2.60 -0.32 0.02 0.00 2.47 -1.26 -5.17 114.94 113.29 2ayx s ASN 810 Ca -0.07 0.49 0.01 0.00 0.42 0.00 0.00 52.86 53.71 2ayx s ASN 810 Cb -0.10 0.58 -0.02 0.00 -1.45 0.00 0.00 41.25 40.26 2ayx s ASN 810 CO -0.19 -0.27 -0.05 0.00 -3.72 0.00 0.00 177.10 172.86 2ayx s ALA 811 N -0.46 0.37 -0.34 1.71 0.00 -1.26 -5.13 121.76 116.65 2ayx s ALA 811 Ca -0.06 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2ayx s ALA 811 Cb -0.04 0.03 0.15 0.00 0.00 0.00 0.00 23.12 23.27 2ayx s ALA 811 CO 0.02 -0.03 0.36 -0.51 0.00 0.00 0.00 175.76 175.61 2ayx s LEU 812 N -1.09 -0.18 0.21 0.00 1.43 -1.26 -5.14 118.68 112.65 2ayx s LEU 812 Ca -0.08 -1.27 -0.16 0.00 -1.03 0.00 0.00 54.13 51.59 2ayx s LEU 812 Cb -0.07 0.61 -0.08 0.00 0.03 0.00 0.00 46.19 46.67 2ayx s LEU 812 CO -0.00 -0.30 0.65 -2.16 0.23 0.00 0.00 176.35 174.77 2ayx s PRO 813 N 1.76 4.08 -0.19 1.29 0.05 -1.26 -5.09 135.00 135.64 2ayx s PRO 813 Ca 0.14 0.66 -0.14 0.00 0.05 0.00 0.00 61.00 61.71 2ayx s PRO 813 Cb -0.15 -2.81 0.06 0.00 0.05 0.00 0.00 34.50 31.65 2ayx s PRO 813 CO -0.13 0.38 0.48 -1.12 0.05 0.00 0.00 177.00 176.67 2ayx s SER 814 N -1.83 -0.57 -0.19 6.66 0.01 -1.26 -5.15 113.70 111.37 2ayx s SER 814 Ca 0.43 1.02 -0.08 0.00 1.31 0.00 0.00 55.95 58.63 2ayx s SER 814 Cb -0.15 0.96 0.08 0.00 0.21 0.00 0.00 66.02 67.12 2ayx s SER 814 CO 0.20 -0.19 0.43 0.42 0.41 0.00 0.00 173.24 174.50 2ayx s THR 815 N 0.91 -0.34 0.03 1.44 -4.23 -1.26 -5.17 115.64 107.03 2ayx s THR 815 Ca -0.05 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.60 2ayx s THR 815 Cb -0.06 -0.65 -0.02 0.00 1.34 0.00 0.00 72.50 73.11 2ayx s THR 815 CO -0.08 0.05 -0.06 1.51 -0.54 0.00 0.00 174.62 175.51 2ayx s ASP 816 N 2.02 0.59 -0.27 3.99 -4.77 -1.26 -5.15 116.67 111.81 2ayx s ASP 816 Ca -0.06 -0.54 -0.27 0.00 -3.30 0.00 0.00 52.55 48.39 2ayx s ASP 816 Cb -0.10 0.07 0.17 0.00 -1.09 0.00 0.00 42.92 41.97 2ayx s ASP 816 CO -0.13 -0.25 1.30 -0.75 0.70 0.00 0.00 175.17 176.04 2ayx s LYS 817 N -1.57 0.20 -0.30 2.11 2.47 -1.26 -5.17 119.74 116.22 2ayx s LYS 817 Ca -0.12 0.15 -0.10 0.00 -1.56 0.00 0.00 55.97 54.33 2ayx s LYS 817 Cb -0.10 0.09 0.13 0.00 -1.46 0.00 0.00 37.83 36.50 2ayx s LYS 817 CO -0.00 -0.04 0.67 0.00 0.16 0.00 0.00 175.35 176.14 2ayx s ALA 818 N -0.38 -2.09 -0.12 3.13 0.00 -1.26 -5.15 121.76 115.89 2ayx s ALA 818 Ca 0.06 2.33 0.01 0.00 0.00 0.00 0.00 51.96 54.36 2ayx s ALA 818 Cb -0.03 -1.79 0.02 0.00 0.00 0.00 0.00 23.12 21.32 2ayx s ALA 818 CO -0.10 -0.92 -0.12 0.08 0.00 0.00 0.00 175.76 174.71 2ayx s VAL 819 N 2.83 1.33 -0.42 0.00 1.01 -1.26 -5.07 120.40 118.82 2ayx s VAL 819 Ca -0.06 -0.50 0.04 0.00 0.00 0.00 0.00 61.98 61.46 2ayx s VAL 819 Cb -0.11 -1.26 0.17 0.00 0.00 0.00 0.00 36.38 35.17 2ayx s VAL 819 CO -0.19 0.41 0.39 -0.94 0.00 0.00 0.00 175.10 174.78 2ayx s SER 820 N 1.37 1.09 0.07 3.32 1.04 -1.26 -5.13 113.70 114.20 2ayx s SER 820 Ca 0.00 -2.57 0.05 0.00 0.48 0.00 0.00 55.95 53.92 2ayx s SER 820 Cb -0.13 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.02 2ayx s SER 820 CO -0.06 -0.18 -0.15 -0.62 0.98 0.00 0.00 173.24 173.21 2ayx s ASP 821 N 0.48 1.73 0.00 7.02 2.15 -1.26 -5.09 116.67 121.69 2ayx s ASP 821 Ca 0.29 -0.60 0.00 0.00 0.43 0.00 0.00 52.55 52.67 2ayx s ASP 821 Cb -0.02 -0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.53 2ayx s ASP 821 CO -0.13 -0.05 0.00 -3.20 -0.17 0.00 0.00 175.17 171.62 2ayx n ASN 822 N 1.35 0.00 -2.73 -0.34 5.15 -1.26 -5.13 115.26 112.30 2ayx n ASN 822 Ca -0.21 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.73 2ayx n ASN 822 Cb 0.54 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.76 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ayx n ASP 823 N 0.00 -2.66 0.00 1.20 2.03 -1.26 -5.04 116.55 110.82 2ayx n ASP 823 Ca 0.00 1.26 0.00 0.00 0.52 0.00 0.00 54.79 56.57 2ayx n ASP 823 Cb 0.00 -4.45 0.00 0.00 -0.72 0.00 0.00 41.12 35.95 2ayx n ASP 823 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ayx n ASP 824 N 1.78 0.00 -3.88 1.67 -0.08 -1.26 -5.02 116.55 109.77 2ayx n ASP 824 Ca -0.29 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 52.83 2ayx n ASP 824 Cb 0.47 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.78 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 0.00 0.28 -0.17 -0.67 0.00 -1.26 -5.07 119.30 112.41 2ayx s MET 825 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 55.69 55.62 2ayx s MET 825 Cb 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 34.83 34.45 2ayx s MET 825 CO 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 175.02 174.97 2ayx s MET 826 N 0.42 3.69 -0.00 4.11 0.23 -1.26 -1.64 119.30 124.85 2ayx s MET 826 Ca -0.04 -0.50 0.02 0.00 -1.03 0.00 0.00 55.69 54.14 2ayx s MET 826 Cb -0.07 -2.97 -0.03 0.00 -1.53 0.00 0.00 34.83 30.23 2ayx s MET 826 CO -0.01 0.21 -0.04 0.42 -2.03 0.00 0.00 175.02 173.57 2ayx s ILE 827 N 0.46 3.83 -0.25 3.16 -1.09 0.18 -2.22 121.20 125.28 2ayx s ILE 827 Ca -0.03 -0.70 -0.09 0.00 -2.23 0.00 0.00 60.65 57.61 2ayx s ILE 827 Cb -0.14 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.03 2ayx s ILE 827 CO 0.02 0.40 0.11 -0.22 -1.23 0.00 0.00 174.94 174.03 2ayx s LEU 828 N -1.43 3.75 -0.35 2.97 2.96 -0.55 -0.93 118.68 125.09 2ayx s LEU 828 Ca 0.18 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 54.01 2ayx s LEU 828 Cb -0.11 -2.01 0.08 0.00 0.50 0.00 0.00 46.19 44.65 2ayx s LEU 828 CO 0.08 0.01 0.09 0.54 -1.32 0.00 0.00 176.35 175.75 2ayx s VAL 829 N 1.39 3.02 -0.19 1.68 0.11 -0.05 -0.97 120.40 125.39 2ayx s VAL 829 Ca 0.06 -1.80 0.00 0.00 -2.93 0.00 0.00 61.98 57.31 2ayx s VAL 829 Cb -0.15 -2.95 0.02 0.00 -1.53 0.00 0.00 36.38 31.77 2ayx s VAL 829 CO 0.05 -0.43 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.53 2ayx s VAL 830 N 1.16 2.21 0.11 2.04 1.01 -0.69 -1.45 120.40 124.78 2ayx s VAL 830 Ca 0.03 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.16 2ayx s VAL 830 Cb -0.21 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2ayx s VAL 830 CO -0.03 0.52 -0.14 -0.62 0.00 0.00 0.00 175.10 174.83 2ayx s ASP 831 N 1.31 1.87 0.18 3.32 2.15 -0.99 -0.64 116.67 123.86 2ayx s ASP 831 Ca 0.05 -0.77 0.27 0.00 0.43 0.00 0.00 52.55 52.52 2ayx s ASP 831 Cb -0.13 -0.06 0.88 0.00 -0.30 0.00 0.00 42.92 43.32 2ayx s ASP 831 CO -0.12 -0.15 1.80 -0.90 -0.17 0.00 0.00 175.17 175.64 2ayx n ASP 832 N 0.68 0.67 -3.71 -0.34 5.75 -0.81 -4.30 116.55 114.50 2ayx n ASP 832 Ca -0.17 0.57 -0.30 0.00 -0.01 0.00 0.00 54.79 54.88 2ayx n ASP 832 Cb 0.56 -0.75 -0.14 0.00 -1.03 0.00 0.00 41.12 39.77 2ayx n ASP 832 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2ayx s HIS 833 N -3.09 1.74 0.11 2.11 3.76 -1.26 -4.98 115.29 113.69 2ayx s HIS 833 Ca 0.11 -1.97 0.01 0.00 -0.15 0.00 0.00 55.06 53.05 2ayx s HIS 833 Cb 0.13 -1.72 0.27 0.00 1.11 0.00 0.00 32.58 32.37 2ayx s HIS 833 CO 0.58 -0.84 0.55 -2.30 -0.85 0.00 0.00 174.74 171.88 2ayx n PRO 834 N 4.34 -0.03 -0.23 8.40 -0.02 -1.26 -0.35 135.00 145.85 2ayx n PRO 834 Ca 0.03 0.53 -0.02 0.00 -2.02 0.00 0.00 63.50 62.01 2ayx n PRO 834 Cb 0.39 -0.84 0.09 0.00 -0.02 0.00 0.00 33.50 33.12 2ayx n PRO 834 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 2ayx h ILE 835 N 0.00 0.99 -0.06 4.25 -0.00 -1.97 0.39 117.51 121.12 2ayx h ILE 835 Ca 0.21 -0.24 -0.07 0.00 -0.00 0.00 0.00 64.86 64.76 2ayx h ILE 835 Cb 0.44 0.23 0.00 0.00 -0.00 0.00 0.00 36.82 37.49 2ayx h ILE 835 CO -0.33 0.13 -0.24 -1.13 -0.00 0.00 0.00 178.15 176.58 2ayx h ASN 836 N 0.71 0.31 -1.00 2.16 -1.24 -1.12 -2.63 115.58 112.77 2ayx h ASN 836 Ca 0.29 -0.64 0.18 0.00 0.71 0.00 0.00 56.30 56.84 2ayx h ASN 836 Cb 0.15 -0.09 -0.10 0.00 0.73 0.00 0.00 38.32 39.01 2ayx h ASN 836 CO -0.16 0.90 0.62 -0.09 -1.29 0.00 0.00 177.43 177.40 2ayx h ARG 837 N -0.26 0.78 -0.21 6.67 2.43 -1.44 0.60 114.38 122.95 2ayx h ARG 837 Ca -0.01 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.09 2ayx h ARG 837 Cb 0.89 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 2ayx h ARG 837 CO 0.05 0.52 0.05 -0.09 -1.51 0.00 0.00 179.97 178.99 2ayx h ARG 838 N 0.80 0.34 -0.54 0.20 1.12 -0.86 -2.14 114.38 113.30 2ayx h ARG 838 Ca 0.56 -0.08 -0.05 0.00 -1.11 0.00 0.00 59.98 59.30 2ayx h ARG 838 Cb 0.83 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.72 2ayx h ARG 838 CO -0.35 0.45 0.13 1.25 -3.11 0.00 0.00 179.97 178.34 2ayx h LEU 839 N 0.16 0.82 -1.06 3.80 6.46 -0.55 -0.19 115.31 124.76 2ayx h LEU 839 Ca 0.07 -0.23 -0.08 0.00 -0.12 0.00 0.00 57.88 57.51 2ayx h LEU 839 Cb 0.27 -0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 2ayx h LEU 839 CO 0.00 0.84 -0.37 0.17 -0.62 0.00 0.00 178.44 178.46 2ayx h LEU 840 N 0.76 0.00 -1.05 2.25 -0.00 -1.29 -2.06 115.31 113.92 2ayx h LEU 840 Ca 0.17 0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.96 2ayx h LEU 840 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 2ayx h LEU 840 CO 0.00 0.37 -0.24 0.00 -0.00 0.00 0.00 178.44 178.57 2ayx h ALA 841 N 1.63 1.20 -0.60 0.17 0.00 -0.63 0.41 119.26 121.44 2ayx h ALA 841 Ca -0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 2ayx h ALA 841 Cb 0.83 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2ayx h ALA 841 CO 0.05 0.52 0.15 0.22 0.00 0.00 0.00 179.25 180.19 2ayx h ASP 842 N 0.34 0.90 -0.74 0.00 1.82 -0.40 -0.64 116.42 117.70 2ayx h ASP 842 Ca 0.05 -0.23 -0.02 0.00 -0.39 0.00 0.00 57.03 56.44 2ayx h ASP 842 Cb 0.62 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.35 2ayx h ASP 842 CO 0.04 0.90 0.38 1.56 -1.61 0.00 0.00 179.24 180.51 2ayx h GLN 843 N 0.87 1.05 -0.29 0.28 7.50 -0.87 -1.53 115.11 122.12 2ayx h GLN 843 Ca 0.19 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 59.18 2ayx h GLN 843 Cb 0.34 -0.20 -0.02 0.00 0.05 0.00 0.00 27.48 27.66 2ayx h GLN 843 CO 0.00 0.80 0.10 1.25 -1.50 0.00 0.00 178.83 179.48 2ayx h LEU 844 N 1.03 0.36 -1.13 1.46 6.46 -0.61 -1.18 115.31 121.70 2ayx h LEU 844 Ca 0.26 -0.03 -0.07 0.00 -0.12 0.00 0.00 57.88 57.92 2ayx h LEU 844 Cb 0.08 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 2ayx h LEU 844 CO -0.04 0.35 -0.12 1.23 -0.62 0.00 0.00 178.44 179.24 2ayx h GLY 845 N 0.57 0.51 2.00 3.75 0.00 -0.15 -2.06 103.07 107.69 2ayx h GLY 845 Ca 0.10 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.01 2ayx h GLY 845 CO -0.01 0.32 -0.37 1.76 0.00 0.00 0.00 176.54 178.24 2ayx h SER 846 N 0.44 0.00 0.85 0.19 0.02 -0.51 -1.75 113.55 112.78 2ayx h SER 846 Ca 0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.01 2ayx h SER 846 Cb 0.47 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 2ayx h SER 846 CO 0.03 0.37 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.90 2ayx h LEU 847 N 0.00 0.00 0.00 5.07 3.38 -0.76 -3.47 115.31 119.54 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 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2ayx h LEU 847 CO 0.05 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.31 2ayx n GLY 848 N -0.06 0.63 3.06 0.83 0.00 -0.66 -5.06 105.19 103.93 2ayx n GLY 848 Ca -0.00 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 2ayx n GLY 848 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ayx n TYR 849 N -2.97 0.09 -3.08 1.61 4.01 -1.23 -5.02 117.16 110.57 2ayx n TYR 849 Ca 0.00 -1.98 -0.38 0.00 -0.16 0.00 0.00 57.90 55.38 2ayx n TYR 849 Cb 0.15 -0.32 -0.06 0.00 -0.31 0.00 0.00 39.34 38.80 2ayx n TYR 849 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2ayx s GLN 850 N -3.68 4.39 -0.13 -0.72 -1.52 -0.65 -4.71 119.66 112.63 2ayx s GLN 850 Ca 0.13 0.98 -0.01 0.00 -1.95 0.00 0.00 55.36 54.50 2ayx s GLN 850 Cb -0.01 -3.14 0.04 0.00 -0.22 0.00 0.00 33.01 29.68 2ayx s GLN 850 CO 0.08 0.53 -0.02 0.00 -0.25 0.00 0.00 175.29 175.63 2ayx s LYS 852 N 1.79 3.20 -0.32 0.00 3.01 -0.11 -4.93 119.74 122.38 2ayx s LYS 852 Ca 0.02 -0.55 -0.19 0.00 -1.01 0.00 0.00 55.97 54.24 2ayx s LYS 852 Cb -0.14 -3.97 -0.01 0.00 -1.01 0.00 0.00 37.83 32.70 2ayx s LYS 852 CO -0.07 -0.98 0.57 0.99 0.51 0.00 0.00 175.35 176.38 2ayx s THR 853 N 2.57 4.97 0.11 2.17 2.01 -1.26 -0.87 115.64 125.34 2ayx s THR 853 Ca 0.18 0.65 0.01 0.00 0.31 0.00 0.00 61.69 62.85 2ayx s THR 853 Cb -0.16 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2ayx s THR 853 CO 0.16 -0.16 -0.04 0.00 -0.69 0.00 0.00 174.62 173.90 2ayx s ALA 854 N 2.51 1.00 -0.41 7.40 0.00 -0.53 -5.01 121.76 126.72 2ayx s ALA 854 Ca 0.22 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 50.86 2ayx s ALA 854 Cb -0.15 0.28 0.22 0.00 0.00 0.00 0.00 23.12 23.46 2ayx s ALA 854 CO 0.12 -0.27 0.49 0.27 0.00 0.00 0.00 175.76 176.37 2ayx n ASN 855 N -0.07 -0.40 0.00 0.00 6.94 -1.26 -2.34 115.26 118.13 2ayx n ASN 855 Ca -0.11 -2.62 0.00 0.00 -0.02 0.00 0.00 54.58 51.83 2ayx n ASN 855 Cb 0.61 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.68 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2ayx n ASP 856 N 1.99 0.00 0.04 0.53 2.03 -1.26 -4.95 116.55 114.93 2ayx n ASP 856 Ca 0.23 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.35 2ayx n ASP 856 Cb 0.52 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.80 2ayx n ASP 856 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ayx h GLY 857 N 0.00 0.54 1.61 0.27 0.00 -1.96 -3.16 103.07 100.36 2ayx h GLY 857 Ca 0.00 -1.07 -0.16 0.00 0.00 0.00 0.00 47.33 46.10 2ayx h GLY 857 CO 0.00 0.95 -0.59 -2.08 0.00 0.00 0.00 176.54 174.82 2ayx h VAL 858 N -0.01 1.35 -0.93 4.60 2.07 -1.99 -2.86 116.25 118.48 2ayx h VAL 858 Ca -0.13 -1.90 0.07 0.00 0.82 0.00 0.00 66.70 65.56 2ayx h VAL 858 Cb 1.60 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 33.21 2ayx h VAL 858 CO 0.17 0.58 0.60 0.44 0.02 0.00 0.00 177.57 179.38 2ayx h ASP 859 N 0.31 0.92 -0.55 0.57 5.19 -1.96 0.04 116.42 120.94 2ayx h ASP 859 Ca -0.00 0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.32 2ayx h ASP 859 Cb 1.12 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 40.43 2ayx h ASP 859 CO 0.10 0.58 -0.04 0.00 -3.12 0.00 0.00 179.24 176.76 2ayx h ALA 860 N 1.51 0.74 -0.20 3.45 0.00 -1.47 -1.92 119.26 121.38 2ayx h ALA 860 Ca 0.41 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2ayx h ALA 860 Cb 0.24 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ayx h ALA 860 CO -0.16 0.60 -0.22 1.25 0.00 0.00 0.00 179.25 180.72 2ayx h LEU 861 N 0.87 0.35 -0.40 0.00 7.12 -1.19 -1.17 115.31 120.89 2ayx h LEU 861 Ca 0.15 -0.10 -0.09 0.00 0.13 0.00 0.00 57.88 57.97 2ayx h LEU 861 Cb 0.59 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.61 2ayx h LEU 861 CO 0.04 0.58 -0.10 0.78 -0.13 0.00 0.00 178.44 179.60 2ayx h ASN 862 N 0.32 0.78 0.36 1.25 2.35 -0.65 -1.06 115.58 118.93 2ayx h ASN 862 Ca 0.05 -0.36 -0.13 0.00 -0.55 0.00 0.00 56.30 55.31 2ayx h ASN 862 Cb 0.57 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2ayx h ASN 862 CO 0.04 0.96 -0.53 1.62 -1.65 0.00 0.00 177.43 177.88 2ayx h VAL 863 N 0.59 1.36 -0.88 2.81 3.04 -1.17 -0.95 116.25 121.04 2ayx h VAL 863 Ca 0.10 -1.80 -0.02 0.00 -1.01 0.00 0.00 66.70 63.97 2ayx h VAL 863 Cb 0.62 1.90 -0.04 0.00 -2.01 0.00 0.00 31.29 31.76 2ayx h VAL 863 CO 0.04 0.53 0.49 0.25 -1.01 0.00 0.00 177.57 177.87 2ayx h LEU 864 N 0.14 1.10 -0.21 3.16 7.12 -0.97 -1.26 115.31 124.40 2ayx h LEU 864 Ca 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 57.88 57.92 2ayx h LEU 864 Cb 0.98 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.83 2ayx h LEU 864 CO 0.08 0.88 0.00 0.28 -0.13 0.00 0.00 178.44 179.55 2ayx h SER 865 N 1.24 0.00 0.18 1.25 0.02 -0.81 -3.31 113.55 112.11 2ayx h SER 865 Ca 0.31 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.25 2ayx h SER 865 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 2ayx h SER 865 CO -0.05 0.00 -0.09 0.50 -1.14 0.00 0.00 176.83 176.05 2ayx h LYS 866 N 0.00 -0.23 0.00 3.45 3.64 -0.21 -3.48 116.57 119.74 2ayx h LYS 866 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 2ayx h LYS 866 Cb 0.76 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2ayx h LYS 866 CO 0.00 -0.15 0.00 0.27 -2.27 0.00 0.00 179.45 177.30 2ayx n ASN 867 N -4.76 0.00 0.00 4.20 0.23 -0.57 -5.09 115.26 109.27 2ayx n ASN 867 Ca -0.03 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.02 2ayx n ASN 867 Cb 0.09 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 2ayx n ASN 867 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2ayx n HIS 868 N 0.00 0.00 -0.86 -2.53 1.44 -1.25 -4.92 115.22 107.10 2ayx n HIS 868 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2ayx n HIS 868 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2ayx n HIS 868 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2ayx n ILE 869 N -0.52 -1.67 -0.02 0.61 -0.00 -1.26 -4.79 119.36 111.70 2ayx n ILE 869 Ca 0.00 0.82 -0.21 0.00 -0.00 0.00 0.00 62.75 63.37 2ayx n ILE 869 Cb 0.00 -1.35 -0.14 0.00 -0.00 0.00 0.00 39.64 38.15 2ayx n ILE 869 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2ayx n ASP 870 N -2.06 2.08 -3.84 4.38 8.00 -0.94 -4.93 116.55 119.24 2ayx n ASP 870 Ca 0.00 0.14 -0.15 0.00 0.71 0.00 0.00 54.79 55.48 2ayx n ASP 870 Cb 0.25 -0.76 -0.15 0.00 -0.02 0.00 0.00 41.12 40.45 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ayx s ILE 871 N -2.55 0.11 -0.33 0.53 1.01 -1.26 -4.44 121.20 114.27 2ayx s ILE 871 Ca -0.25 0.05 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 2ayx s ILE 871 Cb 0.07 -0.17 0.02 0.00 0.01 0.00 0.00 42.46 42.40 2ayx s ILE 871 CO 0.73 0.09 0.11 -0.69 0.00 0.00 0.00 174.94 175.19 2ayx s VAL 872 N 0.61 4.04 -0.17 2.92 1.01 -1.06 -1.48 120.40 126.27 2ayx s VAL 872 Ca -0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.01 2ayx s VAL 872 Cb -0.08 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.08 2ayx s VAL 872 CO -0.01 -0.07 -0.02 -1.48 0.00 0.00 0.00 175.10 173.52 2ayx s LEU 873 N 1.48 3.27 -0.20 3.92 0.05 -0.14 -0.48 118.68 126.57 2ayx s LEU 873 Ca 0.01 -0.15 0.01 0.00 0.05 0.00 0.00 54.13 54.05 2ayx s LEU 873 Cb -0.18 -1.80 0.04 0.00 -2.05 0.00 0.00 46.19 42.20 2ayx s LEU 873 CO 0.03 0.13 -0.12 -0.44 -0.55 0.00 0.00 176.35 175.41 2ayx s SER 874 N 0.60 3.50 -0.14 1.48 0.01 0.03 -1.70 113.70 117.49 2ayx s SER 874 Ca -0.02 -0.92 -0.06 0.00 1.31 0.00 0.00 55.95 56.26 2ayx s SER 874 Cb -0.14 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 2ayx s SER 874 CO 0.02 -0.13 0.09 -0.62 0.41 0.00 0.00 173.24 173.01 2ayx s ASP 875 N 1.35 5.92 -0.04 2.44 2.15 0.18 -0.64 116.67 128.03 2ayx s ASP 875 Ca -0.01 0.27 -0.01 0.00 0.43 0.00 0.00 52.55 53.23 2ayx s ASP 875 Cb -0.16 -1.91 0.03 0.00 -0.30 0.00 0.00 42.92 40.58 2ayx s ASP 875 CO -0.08 0.32 0.07 0.68 -0.17 0.00 0.00 175.17 175.98 2ayx s VAL 876 N -0.49 -0.07 0.04 1.11 -7.23 0.00 -1.92 120.40 111.84 2ayx s VAL 876 Ca 0.11 0.22 -0.14 0.00 -1.81 0.00 0.00 61.98 60.37 2ayx s VAL 876 Cb -0.12 -0.14 -0.34 0.00 0.56 0.00 0.00 36.38 36.34 2ayx s VAL 876 CO 0.02 0.09 1.01 -1.13 -0.31 0.00 0.00 175.10 174.78 2ayx h ASN 877 N 7.38 0.77 -4.07 4.85 -0.73 -1.93 -2.31 115.58 119.54 2ayx h ASN 877 Ca -0.42 -0.83 -0.06 0.00 1.87 0.00 0.00 56.30 56.85 2ayx h ASN 877 Cb 1.13 -0.25 -0.22 0.00 0.27 0.00 0.00 38.32 39.25 2ayx h ASN 877 CO 0.44 1.66 0.04 -0.04 -0.37 0.00 0.00 177.43 179.15 2ayx s MET 878 N -2.61 0.77 -1.09 6.67 -1.94 -1.26 -4.47 119.30 115.36 2ayx s MET 878 Ca -0.08 0.82 -0.23 0.00 -1.71 0.00 0.00 55.69 54.48 2ayx s MET 878 Cb 0.05 0.37 -0.12 0.00 2.01 0.00 0.00 34.83 37.14 2ayx s MET 878 CO 0.93 -0.11 1.94 -2.30 -0.01 0.00 0.00 175.02 175.48 2ayx n PRO 879 N 2.56 1.39 -2.68 2.03 -0.02 -1.26 -4.92 135.00 132.10 2ayx n PRO 879 Ca -0.14 -2.27 -0.43 0.00 -2.02 0.00 0.00 63.50 58.64 2ayx n PRO 879 Cb 0.56 -3.61 -0.02 0.00 -0.02 0.00 0.00 33.50 30.40 2ayx n PRO 879 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2ayx s ASN 880 N 6.50 7.09 0.00 2.55 3.84 -1.26 -4.39 114.94 129.26 2ayx s ASN 880 Ca 0.68 1.36 0.00 0.00 0.21 0.00 0.00 52.86 55.11 2ayx s ASN 880 Cb 0.01 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.18 2ayx s ASN 880 CO 0.15 -0.64 0.00 0.80 -2.79 0.00 0.00 177.10 174.62 2ayx n MET 881 N 6.18 0.00 -4.11 0.43 1.56 -1.26 -4.77 117.12 115.14 2ayx n MET 881 Ca 0.11 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.39 2ayx n MET 881 Cb 0.46 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.72 2ayx n MET 881 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2ayx s ASP 882 N 0.00 1.16 0.00 6.12 1.01 -1.26 -5.00 116.67 118.70 2ayx s ASP 882 Ca 0.00 -0.55 0.00 0.00 0.71 0.00 0.00 52.55 52.71 2ayx s ASP 882 Cb 0.00 -0.00 0.00 0.00 1.01 0.00 0.00 42.92 43.93 2ayx s ASP 882 CO 0.00 -0.14 0.00 0.61 0.21 0.00 0.00 175.17 175.85 2ayx n GLY 883 N 1.47 0.37 0.38 0.21 0.00 -1.26 -4.83 105.19 101.52 2ayx n GLY 883 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 0.00 -0.14 1.61 9.36 -1.26 -4.67 117.16 122.07 2ayx n TYR 884 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 2ayx n TYR 884 Cb 0.08 0.03 0.28 0.00 -0.63 0.00 0.00 39.34 39.10 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 0.83 -0.57 2.98 1.12 -1.98 -1.11 114.38 115.65 2ayx h ARG 885 Ca 0.00 -0.08 -0.03 0.00 -1.11 0.00 0.00 59.98 58.76 2ayx h ARG 885 Cb 0.84 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 30.60 2ayx h ARG 885 CO 0.00 0.60 0.22 1.25 -3.11 0.00 0.00 179.97 178.93 2ayx h LEU 886 N 0.84 0.78 -0.28 3.80 5.85 -1.92 -0.14 115.31 124.25 2ayx h LEU 886 Ca 0.22 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.69 2ayx h LEU 886 Cb -0.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2ayx h LEU 886 CO -0.04 0.74 -0.12 0.74 -0.34 0.00 0.00 178.44 179.42 2ayx h THR 887 N 0.78 1.29 -0.68 1.05 2.02 -1.68 -0.02 112.91 115.67 2ayx h THR 887 Ca 0.19 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 66.17 2ayx h THR 887 Cb 0.20 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 2ayx h THR 887 CO -0.02 0.38 0.43 -0.61 0.37 0.00 0.00 175.52 176.07 2ayx h GLN 888 N 0.31 0.91 -0.10 6.66 5.75 -1.07 -2.28 115.11 125.29 2ayx h GLN 888 Ca 0.06 -0.07 -0.13 0.00 -0.15 0.00 0.00 58.65 58.36 2ayx h GLN 888 Cb 0.63 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.97 2ayx h GLN 888 CO 0.04 0.63 -0.51 -0.09 -2.65 0.00 0.00 178.83 176.24 2ayx h ARG 889 N 0.93 0.28 -0.16 1.69 9.65 -0.93 -1.90 114.38 123.94 2ayx h ARG 889 Ca 0.25 -0.17 -0.00 0.00 -1.10 0.00 0.00 59.98 58.96 2ayx h ARG 889 Cb -0.06 0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.52 2ayx h ARG 889 CO -0.05 0.73 0.10 0.82 2.80 0.00 0.00 179.97 184.37 2ayx h ILE 890 N 0.22 1.07 0.00 1.20 1.08 -0.46 0.42 117.51 121.04 2ayx h ILE 890 Ca 0.01 -0.17 -0.05 0.00 -0.39 0.00 0.00 64.86 64.26 2ayx h ILE 890 Cb 0.98 0.90 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 2ayx h ILE 890 CO 0.08 0.07 -0.23 0.08 -0.69 0.00 0.00 178.15 177.46 2ayx h ARG 891 N 0.18 0.00 -0.21 2.37 0.11 -1.41 -2.82 114.38 112.60 2ayx h ARG 891 Ca 0.06 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 60.02 2ayx h ARG 891 Cb 0.02 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.10 2ayx h ARG 891 CO -0.01 0.23 -0.34 1.96 0.10 0.00 0.00 179.97 181.91 2ayx h GLN 892 N 0.00 0.60 0.36 0.08 4.20 -0.75 -3.34 115.11 116.26 2ayx h GLN 892 Ca -0.00 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 2ayx h GLN 892 Cb 0.90 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2ayx h GLN 892 CO 0.03 0.97 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.92 2ayx h LEU 893 N 0.28 -0.41 0.00 1.46 3.38 -0.87 -3.46 115.31 115.70 2ayx h LEU 893 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2ayx h LEU 893 Cb 0.93 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2ayx h LEU 893 CO 0.08 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.15 2ayx n GLY 894 N -0.45 -1.80 3.61 0.83 0.00 -1.10 -5.11 105.19 101.16 2ayx n GLY 894 Ca -0.10 0.65 -0.43 0.00 0.00 0.00 0.00 46.02 46.14 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 3.60 0.00 0.99 2.96 -1.08 -4.75 118.68 120.40 2ayx s LEU 895 Ca 0.00 1.40 0.00 0.00 -0.22 0.00 0.00 54.13 55.31 2ayx s LEU 895 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 2ayx s LEU 895 CO 0.00 -1.60 0.68 0.41 -1.32 0.00 0.00 176.35 174.52 2ayx n THR 896 N 7.18 0.45 -4.92 3.68 -1.04 -1.26 -4.99 114.28 113.38 2ayx n THR 896 Ca 0.22 -0.52 -0.26 0.00 -2.04 0.00 0.00 64.05 61.45 2ayx n THR 896 Cb 0.46 0.86 -0.16 0.00 -1.82 0.00 0.00 70.33 69.68 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2ayx s LEU 897 N -0.45 2.01 0.41 -4.42 2.34 -1.26 -5.13 118.68 112.18 2ayx s LEU 897 Ca 0.00 -0.35 -0.25 0.00 0.06 0.00 0.00 54.13 53.59 2ayx s LEU 897 Cb 0.00 -0.99 -0.08 0.00 -0.56 0.00 0.00 46.19 44.56 2ayx s LEU 897 CO 0.00 0.22 1.14 -2.16 -1.06 0.00 0.00 176.35 174.49 2ayx s PRO 898 N -0.35 4.02 -0.04 1.48 0.04 -1.26 -4.86 135.00 134.04 2ayx s PRO 898 Ca 0.05 1.76 0.07 0.00 0.04 0.00 0.00 61.00 62.92 2ayx s PRO 898 Cb -0.08 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.84 2ayx s PRO 898 CO -0.00 -0.32 -0.24 0.54 0.04 0.00 0.00 177.00 177.01 2ayx s VAL 899 N -1.49 1.94 -0.32 -0.36 0.11 -1.05 -2.55 120.40 116.68 2ayx s VAL 899 Ca 0.58 -1.03 -0.07 0.00 -2.93 0.00 0.00 61.98 58.53 2ayx s VAL 899 Cb -0.29 -1.63 0.02 0.00 -1.53 0.00 0.00 36.38 32.96 2ayx s VAL 899 CO 0.36 0.55 0.10 -0.63 -3.33 0.00 0.00 175.10 172.15 2ayx s ILE 900 N -0.36 3.95 -0.42 7.04 1.01 0.37 -2.62 121.20 130.17 2ayx s ILE 900 Ca 0.03 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.61 2ayx s ILE 900 Cb -0.11 -3.14 0.02 0.00 0.01 0.00 0.00 42.46 39.23 2ayx s ILE 900 CO 0.01 -0.07 0.39 -0.83 0.00 0.00 0.00 174.94 174.44 2ayx s GLY 901 N 1.46 1.94 -0.21 6.18 0.00 0.27 -0.79 107.32 116.17 2ayx s GLY 901 Ca 0.01 -1.59 -0.07 0.00 0.00 0.00 0.00 44.72 43.07 2ayx s GLY 901 CO 0.03 1.07 0.06 0.54 0.00 0.00 0.00 173.10 174.80 2ayx s VAL 902 N 1.97 4.53 0.07 1.40 0.11 0.19 -0.84 120.40 127.83 2ayx s VAL 902 Ca 0.09 -0.11 0.02 0.00 -2.93 0.00 0.00 61.98 59.05 2ayx s VAL 902 Cb -0.18 -3.07 -0.03 0.00 -1.53 0.00 0.00 36.38 31.57 2ayx s VAL 902 CO 0.12 0.41 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.34 2ayx s THR 903 N 0.85 0.68 -0.56 5.04 2.01 -0.07 -0.82 115.64 122.77 2ayx s THR 903 Ca 0.03 -1.43 -0.21 0.00 0.31 0.00 0.00 61.69 60.39 2ayx s THR 903 Cb -0.14 -1.07 0.06 0.00 0.01 0.00 0.00 72.50 71.37 2ayx s THR 903 CO 0.02 -0.55 0.79 0.00 -0.69 0.00 0.00 174.62 174.20 2ayx s ALA 904 N -2.20 3.27 -1.13 7.40 0.00 -0.87 -1.36 121.76 126.86 2ayx s ALA 904 Ca -0.01 -1.66 -0.26 0.00 0.00 0.00 0.00 51.96 50.03 2ayx s ALA 904 Cb -0.04 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.52 2ayx s ALA 904 CO -0.01 -2.30 0.71 -1.71 0.00 0.00 0.00 175.76 172.45 2ayx n ASN 905 N 6.85 -4.68 0.16 0.00 5.15 -1.26 -4.90 115.26 116.58 2ayx n ASN 905 Ca -0.04 -1.15 -0.10 0.00 -0.60 0.00 0.00 54.58 52.70 2ayx n ASN 905 Cb 0.46 -2.26 -0.05 0.00 -0.53 0.00 0.00 39.78 37.39 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayx h ALA 906 N 1.34 -0.98 -4.79 5.20 0.00 -1.95 -3.46 119.26 114.61 2ayx h ALA 906 Ca -0.67 -0.10 -0.39 0.00 0.00 0.00 0.00 54.91 53.74 2ayx h ALA 906 Cb 1.38 0.49 0.01 0.00 0.00 0.00 0.00 17.79 19.68 2ayx h ALA 906 CO 0.48 -0.99 -0.59 1.28 0.00 0.00 0.00 179.25 179.44 2ayx n LEU 907 N -3.97 -2.28 0.00 0.00 4.32 -1.26 -4.38 117.00 109.43 2ayx n LEU 907 Ca -0.06 -0.31 0.00 0.00 -0.02 0.00 0.00 56.01 55.61 2ayx n LEU 907 Cb 0.25 -2.68 0.00 0.00 -1.62 0.00 0.00 43.42 39.36 2ayx n LEU 907 CO 0.14 0.20 0.00 0.00 -1.22 0.00 0.00 177.39 176.51 2ayx n ALA 908 N -3.53 0.00 0.28 -1.18 0.00 -1.26 -4.96 120.51 109.86 2ayx n ALA 908 Ca -0.08 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.53 2ayx n ALA 908 Cb 0.59 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.73 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 -0.79 0.00 3.07 -1.97 -1.19 114.58 113.69 2ayx h GLU 909 Ca 0.00 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.83 2ayx h GLU 909 Cb 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 2ayx h GLU 909 CO 0.00 0.01 0.39 1.05 -1.40 0.00 0.00 179.01 179.06 2ayx h GLU 910 N 0.00 1.14 -0.30 2.33 9.09 -1.92 0.56 114.58 125.47 2ayx h GLU 910 Ca -0.00 -0.16 -0.11 0.00 0.05 0.00 0.00 59.36 59.14 2ayx h GLU 910 Cb 0.51 -0.21 -0.01 0.00 -1.65 0.00 0.00 28.75 27.39 2ayx h GLU 910 CO 0.00 0.88 -0.26 -0.22 0.05 0.00 0.00 179.01 179.45 2ayx h LYS 911 N 1.12 0.61 -0.46 1.06 3.64 -1.63 -1.94 116.57 118.97 2ayx h LYS 911 Ca 0.27 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2ayx h LYS 911 Cb 0.11 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2ayx h LYS 911 CO -0.04 0.81 0.18 0.37 -2.27 0.00 0.00 179.45 178.51 2ayx h GLN 912 N 0.53 0.70 0.00 1.90 4.15 -1.02 -2.00 115.11 119.36 2ayx h GLN 912 Ca 0.07 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 2ayx h GLN 912 Cb 0.73 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 28.31 2ayx h GLN 912 CO 0.06 0.64 -0.15 0.07 -1.93 0.00 0.00 178.83 177.51 2ayx h ARG 913 N 0.61 0.00 0.00 1.69 -0.00 -0.58 0.01 114.38 116.11 2ayx h ARG 913 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 60.01 2ayx h ARG 913 Cb 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.15 2ayx h ARG 913 CO -0.01 0.15 -0.58 0.00 -0.00 0.00 0.00 179.97 179.52 2ayx h LEU 915 N 0.00 0.00 0.03 0.00 6.46 -0.29 -3.30 115.31 118.21 2ayx h LEU 915 Ca -0.01 -0.47 -0.27 0.00 -0.12 0.00 0.00 57.88 57.01 2ayx h LEU 915 Cb 1.17 -0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.12 2ayx h LEU 915 CO 0.08 0.47 -1.14 1.05 -0.62 0.00 0.00 178.44 178.28 2ayx h GLU 916 N -0.47 0.55 -5.56 1.25 -0.00 -1.44 -3.47 114.58 105.43 2ayx h GLU 916 Ca 0.00 -0.69 -0.41 0.00 -0.00 0.00 0.00 59.36 58.25 2ayx h GLU 916 Cb 0.47 0.22 -0.06 0.00 -0.00 0.00 0.00 28.75 29.39 2ayx h GLU 916 CO 0.00 1.29 -0.62 0.43 -0.00 0.00 0.00 179.01 180.11 2ayx n SER 917 N -3.76 -4.32 0.00 3.06 7.64 -0.12 -4.82 113.62 111.30 2ayx n SER 917 Ca -0.11 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.27 2ayx n SER 917 Cb 0.94 -3.52 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 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 -1.36 0.59 0.00 0.23 0.00 -1.26 -4.96 105.19 98.44 2ayx n GLY 918 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.90 0.00 0.00 1.61 0.00 -1.26 -4.48 117.12 112.09 2ayx n MET 919 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2ayx n MET 919 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 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 -4.91 6.12 -0.08 -1.12 -2.53 116.55 114.03 2ayx n ASP 920 Ca 0.00 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 52.96 2ayx n ASP 920 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 2ayx s SER 921 N -4.00 6.41 -0.11 1.67 0.01 -1.08 -4.99 113.70 111.60 2ayx s SER 921 Ca 0.00 0.38 -0.01 0.00 1.31 0.00 0.00 55.95 57.63 2ayx s SER 921 Cb 0.00 -2.01 0.03 0.00 0.21 0.00 0.00 66.02 64.25 2ayx s SER 921 CO 0.00 0.15 -0.06 0.00 0.41 0.00 0.00 173.24 173.74 2ayx s LEU 923 N 1.76 2.79 0.20 0.00 1.43 -0.02 -4.97 118.68 119.87 2ayx s LEU 923 Ca 0.05 -1.27 -0.14 0.00 -1.03 0.00 0.00 54.13 51.74 2ayx s LEU 923 Cb -0.13 -0.95 -0.07 0.00 0.03 0.00 0.00 46.19 45.07 2ayx s LEU 923 CO -0.08 -0.31 0.60 -0.44 0.23 0.00 0.00 176.35 176.35 2ayx s SER 924 N -3.65 6.79 0.13 2.29 0.01 -1.26 -0.90 113.70 117.11 2ayx s SER 924 Ca 0.34 1.10 -0.19 0.00 1.31 0.00 0.00 55.95 58.50 2ayx s SER 924 Cb 0.06 -2.30 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 2ayx s SER 924 CO 0.17 0.00 1.73 0.50 0.41 0.00 0.00 173.24 176.06 2ayx h LYS 925 N 3.07 0.11 -4.00 12.44 3.64 -1.52 -3.27 116.57 127.03 2ayx h LYS 925 Ca -0.48 -0.01 -0.57 0.00 -1.27 0.00 0.00 60.65 58.33 2ayx h LYS 925 Cb 1.18 -0.02 0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2ayx h LYS 925 CO 0.67 0.07 2.57 -2.30 -2.27 0.00 0.00 179.45 178.19 2ayx n PRO 926 N -5.09 1.95 -3.79 1.90 -0.02 -1.26 -4.90 135.00 123.78 2ayx n PRO 926 Ca -0.02 -1.81 -0.36 0.00 -2.02 0.00 0.00 63.50 59.28 2ayx n PRO 926 Cb 0.09 -2.79 -0.07 0.00 -0.02 0.00 0.00 33.50 30.71 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 4.13 5.43 0.56 -1.45 1.01 -1.23 -5.10 120.40 123.75 2ayx s VAL 927 Ca 0.51 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.78 2ayx s VAL 927 Cb 0.13 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 33.10 2ayx s VAL 927 CO 0.04 0.55 0.78 0.42 0.00 0.00 0.00 175.10 176.89 2ayx s THR 928 N -0.53 2.59 0.20 3.92 -4.23 -1.26 -4.88 115.64 111.45 2ayx s THR 928 Ca 0.14 -0.73 -0.11 0.00 -1.18 0.00 0.00 61.69 59.81 2ayx s THR 928 Cb -0.12 -2.87 0.13 0.00 1.34 0.00 0.00 72.50 70.98 2ayx s THR 928 CO 0.03 0.00 1.75 0.25 -0.54 0.00 0.00 174.62 176.11 2ayx h LEU 929 N 0.07 0.22 -0.15 4.79 6.46 -1.99 -0.64 115.31 124.08 2ayx h LEU 929 Ca -0.40 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2ayx h LEU 929 Cb 1.29 0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 41.26 2ayx h LEU 929 CO 0.48 0.14 0.09 -0.78 -0.62 0.00 0.00 178.44 177.75 2ayx h ASP 930 N 0.40 0.17 0.22 1.25 1.82 -1.99 0.46 116.42 118.76 2ayx h ASP 930 Ca 0.28 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.87 2ayx h ASP 930 Cb 0.33 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 40.30 2ayx h ASP 930 CO -0.28 0.17 -0.10 0.58 -1.61 0.00 0.00 179.24 177.99 2ayx h VAL 931 N 0.17 0.82 -0.74 2.25 2.07 -1.88 -1.38 116.25 117.56 2ayx h VAL 931 Ca 0.05 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 2ayx h VAL 931 Cb 0.02 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2ayx h VAL 931 CO -0.01 0.05 0.29 -0.29 0.02 0.00 0.00 177.57 177.63 2ayx h ILE 932 N -0.40 1.25 -0.13 4.57 -0.00 -0.96 0.27 117.51 122.11 2ayx h ILE 932 Ca -0.03 -0.79 -0.03 0.00 -0.00 0.00 0.00 64.86 64.01 2ayx h ILE 932 Cb 0.30 0.38 -0.00 0.00 -0.00 0.00 0.00 36.82 37.50 2ayx h ILE 932 CO 0.05 0.32 -0.03 0.50 -0.00 0.00 0.00 178.15 178.99 2ayx h LYS 933 N 1.07 0.24 -0.38 2.19 3.64 -0.88 -0.57 116.57 121.89 2ayx h LYS 933 Ca 0.25 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.46 2ayx h LYS 933 Cb 0.21 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 2ayx h LYS 933 CO -0.02 0.53 -0.08 -0.56 -2.27 0.00 0.00 179.45 177.05 2ayx h GLN 934 N -0.06 0.65 -0.11 1.90 3.07 -0.99 -0.16 115.11 119.41 2ayx h GLN 934 Ca 0.03 -0.19 -0.13 0.00 0.09 0.00 0.00 58.65 58.45 2ayx h GLN 934 Cb 0.44 -0.07 0.01 0.00 0.08 0.00 0.00 27.48 27.94 2ayx h GLN 934 CO 0.01 0.72 -0.45 1.15 0.09 0.00 0.00 178.83 180.36 2ayx h THR 935 N 0.60 1.37 -0.37 1.86 2.02 -0.86 0.32 112.91 117.84 2ayx h THR 935 Ca 0.11 -1.76 -0.03 0.00 0.77 0.00 0.00 66.41 65.49 2ayx h THR 935 Cb 0.50 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 2ayx h THR 935 CO 0.03 0.53 0.11 -0.07 0.37 0.00 0.00 175.52 176.49 2ayx h LEU 936 N 0.10 0.55 -0.68 2.58 -0.00 -0.98 -0.04 115.31 116.85 2ayx h LEU 936 Ca -0.02 -0.21 -0.06 0.00 -0.00 0.00 0.00 57.88 57.58 2ayx h LEU 936 Cb 1.08 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 41.57 2ayx h LEU 936 CO 0.09 0.62 0.18 0.74 -0.00 0.00 0.00 178.44 180.07 2ayx h THR 937 N 0.45 1.26 -0.64 0.22 2.02 -1.05 0.03 112.91 115.19 2ayx h THR 937 Ca 0.12 -0.92 -0.03 0.00 0.77 0.00 0.00 66.41 66.35 2ayx h THR 937 Cb 0.27 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2ayx h THR 937 CO -0.00 0.35 0.29 0.25 0.37 0.00 0.00 175.52 176.78 2ayx h LEU 938 N 1.00 0.85 -0.47 2.58 5.85 -0.65 -0.93 115.31 123.54 2ayx h LEU 938 Ca 0.21 -0.15 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2ayx h LEU 938 Cb 0.34 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2ayx h LEU 938 CO -0.00 0.76 -0.56 1.88 -0.34 0.00 0.00 178.44 180.18 2ayx h TYR 939 N 0.89 0.00 -0.17 1.25 -1.99 -0.81 -1.14 116.97 114.99 2ayx h TYR 939 Ca 0.22 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.88 2ayx h TYR 939 Cb 0.15 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.87 2ayx h TYR 939 CO 0.01 0.56 -0.18 0.00 -0.00 0.00 0.00 178.16 178.54 2ayx h ALA 940 N 1.44 1.37 -0.01 3.88 0.00 -0.59 -0.82 119.26 124.52 2ayx h ALA 940 Ca -0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 2ayx h ALA 940 Cb 1.23 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2ayx h ALA 940 CO 0.07 0.43 -0.76 1.05 0.00 0.00 0.00 179.25 180.05 2ayx h GLU 941 N 0.27 0.11 -0.17 0.00 4.11 -0.70 -1.67 114.58 116.53 2ayx h GLU 941 Ca 0.05 -0.10 -0.02 0.00 0.07 0.00 0.00 59.36 59.35 2ayx h GLU 941 Cb 0.49 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2ayx h GLU 941 CO 0.03 0.81 0.02 0.00 0.07 0.00 0.00 179.01 179.95 2ayx h ARG 942 N 0.07 0.29 -0.03 1.06 2.47 -0.52 0.44 114.38 118.17 2ayx h ARG 942 Ca -0.02 -0.08 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 2ayx h ARG 942 Cb 1.33 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.60 2ayx h ARG 942 CO 0.11 0.46 -0.44 -0.39 0.56 0.00 0.00 179.97 180.27 2ayx h VAL 943 N 0.07 1.32 -0.43 2.04 -1.51 -1.20 -0.68 116.25 115.85 2ayx h VAL 943 Ca 0.05 -1.54 -0.10 0.00 -1.23 0.00 0.00 66.70 63.88 2ayx h VAL 943 Cb 0.32 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2ayx h VAL 943 CO 0.00 0.44 -0.13 -0.09 -1.23 0.00 0.00 177.57 176.57 2ayx h ARG 944 N 0.05 0.85 0.00 5.19 9.65 -1.06 0.62 114.38 129.68 2ayx h ARG 944 Ca 0.00 -0.34 -0.09 0.00 -1.10 0.00 0.00 59.98 58.46 2ayx h ARG 944 Cb 0.80 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.33 2ayx h ARG 944 CO 0.06 0.97 -0.42 1.57 2.80 0.00 0.00 179.97 184.95 2ayx h LYS 945 N 0.68 0.00 0.01 0.20 2.10 -0.62 -0.14 116.57 118.79 2ayx h LYS 945 Ca 0.11 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.54 2ayx h LYS 945 Cb 0.67 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2ayx h LYS 945 CO 0.05 0.42 -0.94 0.77 -2.00 0.00 0.00 179.45 177.74 2ayx h SER 946 N 0.00 0.45 1.10 7.07 0.02 -0.96 -3.06 113.55 118.17 2ayx h SER 946 Ca -0.00 -0.37 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 2ayx h SER 946 Cb 1.04 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.44 2ayx h SER 946 CO 0.05 1.18 -0.19 0.03 -1.14 0.00 0.00 176.83 176.76 2ayx h ARG 947 N 0.19 0.00 0.00 3.45 3.08 -0.58 -2.22 114.38 118.29 2ayx h ARG 947 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2ayx h ARG 947 Cb 1.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.63 2ayx h ARG 947 CO 0.16 0.19 0.00 -0.25 -1.07 0.00 0.00 179.97 179.00 2ayx n ASP 948 N -3.29 0.00 0.00 7.04 9.92 -0.09 -5.07 116.55 125.06 2ayx n ASP 948 Ca 0.01 -0.10 0.00 0.00 -0.53 0.00 0.00 54.79 54.17 2ayx n ASP 948 Cb 0.45 -0.28 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13