#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 -1.13 3.30 3.17 0.00 -1.26 -5.02 105.19 104.25 2ayx n GLY 697 Ca 0.00 -1.15 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 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 3.55 3.76 -0.02 0.00 -1.26 -4.98 105.19 106.23 2ayx n GLY 698 Ca 0.00 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 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 2.85 6.38 -0.19 1.61 0.01 -1.26 -4.86 113.70 118.24 2ayx s SER 699 Ca 0.46 2.97 -0.29 0.00 1.31 0.00 0.00 55.95 60.40 2ayx s SER 699 Cb 0.03 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.56 2ayx s SER 699 CO 0.01 -0.89 2.19 0.61 0.41 0.00 0.00 173.24 175.57 2ayx n GLY 700 N 1.64 1.12 3.56 3.44 0.00 -1.26 -4.92 105.19 108.76 2ayx n GLY 700 Ca 0.06 0.80 -0.42 0.00 0.00 0.00 0.00 46.02 46.45 2ayx n GLY 700 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayx s VAL 701 N 7.70 4.75 0.10 1.61 0.11 -1.26 -5.00 120.40 128.41 2ayx s VAL 701 Ca 1.00 0.61 -0.25 0.00 -2.93 0.00 0.00 61.98 60.41 2ayx s VAL 701 Cb -0.38 -4.21 0.08 0.00 -1.53 0.00 0.00 36.38 30.34 2ayx s VAL 701 CO 0.37 -0.50 0.71 -1.83 -3.33 0.00 0.00 175.10 170.52 2ayx s GLU 702 N 3.04 1.11 0.00 1.54 -1.05 -1.26 -5.08 118.70 117.00 2ayx s GLU 702 Ca 0.28 -0.41 0.00 0.00 -0.15 0.00 0.00 54.97 54.69 2ayx s GLU 702 Cb -0.13 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 2ayx s GLU 702 CO 0.18 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.32 2ayx n GLY 703 N -0.33 -0.37 3.17 -3.83 0.00 -1.26 -5.00 105.19 97.57 2ayx n GLY 703 Ca -0.14 0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 2ayx n GLY 703 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ayx n LEU 704 N 0.00 -1.95 -4.47 0.99 4.77 -1.26 -4.41 117.00 110.67 2ayx n LEU 704 Ca 0.00 -0.31 -0.33 0.00 -0.03 0.00 0.00 56.01 55.34 2ayx n LEU 704 Cb 0.00 -2.45 -0.13 0.00 -2.33 0.00 0.00 43.42 38.51 2ayx n LEU 704 CO 0.00 0.17 -0.42 -0.44 -1.33 0.00 0.00 177.39 175.36 2ayx s SER 705 N -2.67 4.26 0.00 -1.43 0.01 -1.26 -2.73 113.70 109.88 2ayx s SER 705 Ca 0.34 -0.19 0.00 0.00 1.31 0.00 0.00 55.95 57.40 2ayx s SER 705 Cb -0.17 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 64.78 2ayx s SER 705 CO 0.41 0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.94 2ayx n GLY 706 N 2.84 1.55 3.73 3.44 0.00 -0.46 -5.01 105.19 111.28 2ayx n GLY 706 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.08 4.37 0.27 1.61 -0.14 -1.26 -4.72 119.74 119.80 2ayx s LYS 707 Ca 0.00 2.04 0.06 0.00 -1.36 0.00 0.00 55.97 56.71 2ayx s LYS 707 Cb 0.00 -3.22 -0.02 0.00 -1.68 0.00 0.00 37.83 32.90 2ayx s LYS 707 CO 0.00 -0.31 0.38 1.03 -0.76 0.00 0.00 175.35 175.69 2ayx s ARG 708 N 0.34 3.29 -0.14 1.68 0.52 -1.26 -0.84 118.95 122.55 2ayx s ARG 708 Ca 0.59 -0.87 -0.03 0.00 -0.52 0.00 0.00 55.73 54.91 2ayx s ARG 708 Cb -0.36 -2.84 0.05 0.00 0.52 0.00 0.00 34.95 32.32 2ayx s ARG 708 CO 0.35 0.32 0.04 0.00 0.02 0.00 0.00 175.30 176.03 2ayx s TRP 710 N 1.99 3.10 -0.22 0.00 0.52 -0.66 -0.89 118.94 122.78 2ayx s TRP 710 Ca 0.02 0.22 -0.04 0.00 0.02 0.00 0.00 56.10 56.32 2ayx s TRP 710 Cb -0.15 -3.30 -0.01 0.00 -1.15 0.00 0.00 33.47 28.86 2ayx s TRP 710 CO -0.07 -0.76 -0.04 -1.17 0.02 0.00 0.00 176.95 174.93 2ayx s LEU 711 N 2.86 2.92 -0.53 2.99 2.96 0.07 -0.73 118.68 129.22 2ayx s LEU 711 Ca 0.25 -0.40 0.07 0.00 -0.22 0.00 0.00 54.13 53.83 2ayx s LEU 711 Cb -0.14 -1.74 0.31 0.00 0.50 0.00 0.00 46.19 45.12 2ayx s LEU 711 CO 0.17 -0.02 0.80 0.00 -1.32 0.00 0.00 176.35 175.98 2ayx n ALA 712 N 4.80 3.69 -3.80 5.97 0.00 0.25 -1.00 120.51 130.41 2ayx n ALA 712 Ca -0.18 -4.29 -0.34 0.00 0.00 0.00 0.00 53.44 48.63 2ayx n ALA 712 Cb 0.51 -0.82 -0.15 0.00 0.00 0.00 0.00 19.45 18.98 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 -3.13 2.51 0.22 0.00 1.01 -1.26 -2.58 120.40 117.17 2ayx s VAL 713 Ca 0.43 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2ayx s VAL 713 Cb 0.25 -2.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 2ayx s VAL 713 CO -0.09 0.51 1.53 0.03 0.00 0.00 0.00 175.10 177.08 2ayx h ARG 714 N 7.81 0.35 -6.27 2.72 3.08 -1.97 -3.42 114.38 116.69 2ayx h ARG 714 Ca -0.41 -0.24 -0.56 0.00 0.07 0.00 0.00 59.98 58.84 2ayx h ARG 714 Cb 1.16 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2ayx h ARG 714 CO 0.61 0.84 1.25 1.21 -1.07 0.00 0.00 179.97 182.81 2ayx s ASN 715 N -6.91 5.86 0.37 7.04 3.84 -1.26 -4.86 114.94 119.01 2ayx s ASN 715 Ca -0.05 1.03 0.09 0.00 0.21 0.00 0.00 52.86 54.13 2ayx s ASN 715 Cb 0.12 -2.53 0.71 0.00 -0.55 0.00 0.00 41.25 38.99 2ayx s ASN 715 CO 0.81 -1.78 1.87 0.00 -2.79 0.00 0.00 177.10 175.22 2ayx h ALA 716 N 12.83 1.42 -0.28 1.71 0.00 -1.98 0.17 119.26 133.13 2ayx h ALA 716 Ca -0.31 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.30 2ayx h ALA 716 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2ayx h ALA 716 CO 1.08 0.40 -0.05 0.77 0.00 0.00 0.00 179.25 181.45 2ayx h SER 717 N 0.24 0.53 -0.05 0.00 0.02 -1.97 0.26 113.55 112.59 2ayx h SER 717 Ca 0.05 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.63 2ayx h SER 717 Cb 0.45 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 2ayx h SER 717 CO 0.03 0.76 -0.02 0.25 -1.14 0.00 0.00 176.83 176.71 2ayx h LEU 718 N 0.29 0.10 -0.58 5.07 6.46 -1.74 -2.67 115.31 122.24 2ayx h LEU 718 Ca 0.07 -0.40 -0.04 0.00 -0.12 0.00 0.00 57.88 57.40 2ayx h LEU 718 Cb 0.51 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.39 2ayx h LEU 718 CO 0.02 0.47 0.20 0.00 -0.62 0.00 0.00 178.44 178.52 2ayx h GLN 720 N 0.82 0.75 0.50 0.00 7.50 -1.00 -0.09 115.11 123.59 2ayx h GLN 720 Ca 0.19 -0.21 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 2ayx h GLN 720 Cb 0.25 -0.08 -0.02 0.00 0.05 0.00 0.00 27.48 27.68 2ayx h GLN 720 CO -0.01 0.79 -0.48 0.35 -1.50 0.00 0.00 178.83 177.98 2ayx h PHE 721 N 0.70 -1.32 -0.18 2.96 3.04 -1.12 0.00 116.94 121.02 2ayx h PHE 721 Ca 0.13 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 2ayx h PHE 721 Cb 0.48 0.51 -0.01 0.00 2.56 0.00 0.00 35.95 39.49 2ayx h PHE 721 CO 0.02 -0.65 0.02 -0.07 -2.02 0.00 0.00 178.31 175.62 2ayx h LEU 722 N -0.98 0.30 -0.15 0.59 3.38 -1.44 -2.61 115.31 114.40 2ayx h LEU 722 Ca -0.06 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.64 2ayx h LEU 722 Cb 0.85 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2ayx h LEU 722 CO -0.05 0.49 0.10 -0.08 0.09 0.00 0.00 178.44 178.99 2ayx h GLU 723 N 0.09 0.20 -0.35 1.13 4.81 -0.96 -1.02 114.58 118.48 2ayx h GLU 723 Ca 0.06 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 2ayx h GLU 723 Cb 0.32 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 2ayx h GLU 723 CO 0.00 0.14 -0.21 1.15 -0.73 0.00 0.00 179.01 179.36 2ayx h THR 724 N 0.20 1.27 -0.36 0.32 2.02 -1.03 -1.70 112.91 113.63 2ayx h THR 724 Ca 0.06 -1.28 -0.12 0.00 0.77 0.00 0.00 66.41 65.83 2ayx h THR 724 Cb -0.02 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2ayx h THR 724 CO -0.01 0.42 -0.27 0.28 0.37 0.00 0.00 175.52 176.31 2ayx h SER 725 N 0.59 0.76 0.19 4.18 0.02 -1.14 -3.16 113.55 114.98 2ayx h SER 725 Ca 0.09 -0.29 -0.26 0.00 -0.84 0.00 0.00 61.79 60.49 2ayx h SER 725 Cb 0.68 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 63.03 2ayx h SER 725 CO 0.05 0.99 -1.06 -0.07 -1.14 0.00 0.00 176.83 175.60 2ayx h LEU 726 N 0.64 0.74 0.00 5.07 3.38 -0.92 -3.10 115.31 121.11 2ayx h LEU 726 Ca 0.08 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.43 2ayx h LEU 726 Cb 0.79 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.31 2ayx h LEU 726 CO 0.06 1.43 0.00 0.00 0.09 0.00 0.00 178.44 180.02 2ayx n GLN 727 N -3.78 0.74 -0.03 1.13 -0.00 -0.66 -3.00 117.38 111.77 2ayx n GLN 727 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.89 2ayx n GLN 727 Cb 0.89 -1.48 0.26 0.00 -0.00 0.00 0.00 30.24 29.91 2ayx n GLN 727 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2ayx h ARG 728 N 0.00 0.60 0.00 2.61 3.08 -1.50 -3.41 114.38 115.76 2ayx h ARG 728 Ca 0.00 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 59.91 2ayx h ARG 728 Cb 0.00 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2ayx h ARG 728 CO 0.00 0.62 0.00 0.43 -1.07 0.00 0.00 179.97 179.95 2ayx n SER 729 N -4.26 0.00 -0.59 7.04 7.64 -1.16 -5.00 113.62 117.29 2ayx n SER 729 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2ayx n SER 729 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 4.02 0.62 3.62 0.23 0.00 -1.11 -4.92 105.19 107.65 2ayx n GLY 730 Ca 0.00 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2ayx n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 731 N 0.00 4.63 -0.75 -0.61 -1.09 -1.20 -1.35 121.20 120.83 2ayx s ILE 731 Ca 0.03 1.41 -0.22 0.00 -2.23 0.00 0.00 60.65 59.64 2ayx s ILE 731 Cb 0.03 -4.30 0.08 0.00 -1.58 0.00 0.00 42.46 36.69 2ayx s ILE 731 CO -0.01 -0.41 1.06 0.68 -1.23 0.00 0.00 174.94 175.02 2ayx s VAL 732 N 3.36 4.33 0.16 2.92 -7.23 -0.02 -3.58 120.40 120.34 2ayx s VAL 732 Ca 0.39 -0.58 -0.30 0.00 -1.81 0.00 0.00 61.98 59.68 2ayx s VAL 732 Cb -0.13 -4.75 -0.07 0.00 0.56 0.00 0.00 36.38 31.99 2ayx s VAL 732 CO 0.15 -1.53 1.04 -0.69 -0.31 0.00 0.00 175.10 173.76 2ayx s VAL 733 N 3.98 4.08 -0.06 1.32 1.01 -1.26 -1.07 120.40 128.40 2ayx s VAL 733 Ca 0.27 1.80 -0.04 0.00 0.00 0.00 0.00 61.98 64.01 2ayx s VAL 733 Cb -0.13 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.13 2ayx s VAL 733 CO 0.05 0.31 0.15 -0.89 0.00 0.00 0.00 175.10 174.72 2ayx s THR 734 N -0.26 -0.02 -0.18 3.92 2.01 -0.06 -4.91 115.64 116.13 2ayx s THR 734 Ca 0.48 0.08 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 2ayx s THR 734 Cb -0.27 -0.23 -0.07 0.00 0.01 0.00 0.00 72.50 71.93 2ayx s THR 734 CO 0.33 0.03 2.15 0.41 -0.69 0.00 0.00 174.62 176.85 2ayx n THR 735 N 3.57 0.41 -2.94 -0.82 -1.04 -1.26 -0.76 114.28 111.45 2ayx n THR 735 Ca -0.19 -0.35 -0.44 0.00 -2.04 0.00 0.00 64.05 61.04 2ayx n THR 735 Cb 0.56 -2.33 -0.04 0.00 -1.82 0.00 0.00 70.33 66.70 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 7.17 2.80 -0.22 -1.42 5.04 -0.17 -4.78 117.35 125.77 2ayx s TYR 736 Ca 1.00 -0.74 -0.12 0.00 -2.44 0.00 0.00 57.07 54.77 2ayx s TYR 736 Cb -0.46 -4.21 -0.09 0.00 0.35 0.00 0.00 41.96 37.55 2ayx s TYR 736 CO 0.40 -1.53 -0.30 -0.85 -1.34 0.00 0.00 175.55 171.93 2ayx n GLU 737 N 7.20 0.49 -2.75 4.97 -0.00 -1.26 -4.64 120.64 124.65 2ayx n GLU 737 Ca -0.04 0.21 -0.06 0.00 -0.00 0.00 0.00 57.16 57.28 2ayx n GLU 737 Cb 0.45 -1.32 0.03 0.00 -0.00 0.00 0.00 31.44 30.59 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ayx n GLY 738 N 1.56 -0.34 0.00 -1.84 0.00 -1.26 -5.15 105.19 98.16 2ayx n GLY 738 Ca -0.42 0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 2.36 3.32 -4.15 1.61 3.00 -1.26 -5.13 117.38 117.13 2ayx n GLN 739 Ca 0.14 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.78 2ayx n GLN 739 Cb 0.59 0.00 -0.09 0.00 0.00 0.00 0.00 30.24 30.74 2ayx n GLN 739 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2ayx s GLU 740 N 1.28 3.42 -0.17 -1.09 0.41 -1.26 -5.08 118.70 116.20 2ayx s GLU 740 Ca 0.00 -0.33 -0.26 0.00 -0.41 0.00 0.00 54.97 53.97 2ayx s GLU 740 Cb 0.00 -3.01 -0.01 0.00 -1.78 0.00 0.00 34.13 29.32 2ayx s GLU 740 CO 0.00 0.57 0.85 -1.25 -0.49 0.00 0.00 175.26 174.94 2ayx s PRO 741 N -0.49 4.29 -0.05 0.39 0.04 -1.26 -5.06 135.00 132.87 2ayx s PRO 741 Ca 0.10 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.08 2ayx s PRO 741 Cb -0.12 -3.58 -0.05 0.00 0.04 0.00 0.00 34.50 30.79 2ayx s PRO 741 CO 0.02 -0.35 0.27 0.99 0.04 0.00 0.00 177.00 177.97 2ayx s THR 742 N 2.23 5.27 -0.43 1.26 2.01 -1.26 -4.79 115.64 119.94 2ayx s THR 742 Ca 0.39 0.48 0.17 0.00 0.31 0.00 0.00 61.69 63.04 2ayx s THR 742 Cb -0.16 -3.55 0.18 0.00 0.01 0.00 0.00 72.50 68.97 2ayx s THR 742 CO 0.12 0.57 1.53 -0.81 -0.69 0.00 0.00 174.62 175.34 2ayx n PRO 743 N 1.79 0.12 -0.04 4.92 -0.04 -1.26 -0.66 135.00 139.82 2ayx n PRO 743 Ca -0.16 0.57 0.02 0.00 -0.04 0.00 0.00 63.50 63.89 2ayx n PRO 743 Cb 0.54 -1.84 0.04 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.08 1.57 -3.99 0.54 4.71 -1.26 -2.85 120.64 117.28 2ayx n GLU 744 Ca -0.00 -1.32 -0.27 0.00 -0.01 0.00 0.00 57.16 55.55 2ayx n GLU 744 Cb 0.06 -1.10 -0.04 0.00 -1.01 0.00 0.00 31.44 29.35 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2ayx s ASP 745 N -0.74 6.04 0.09 1.62 1.01 0.16 -4.77 116.67 120.09 2ayx s ASP 745 Ca 0.07 0.08 0.09 0.00 0.71 0.00 0.00 52.55 53.51 2ayx s ASP 745 Cb 0.04 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 42.19 2ayx s ASP 745 CO 0.06 0.08 -0.21 0.68 0.21 0.00 0.00 175.17 175.99 2ayx s VAL 746 N -1.68 2.62 -0.20 -1.27 -7.23 -1.26 -1.15 120.40 110.22 2ayx s VAL 746 Ca 0.33 -1.46 -0.06 0.00 -1.81 0.00 0.00 61.98 58.98 2ayx s VAL 746 Cb -0.11 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.65 2ayx s VAL 746 CO 0.26 0.20 0.03 -0.22 -0.31 0.00 0.00 175.10 175.06 2ayx s LEU 747 N -1.82 3.47 -0.33 1.32 0.20 -0.59 -1.66 118.68 119.26 2ayx s LEU 747 Ca 0.15 -0.11 -0.02 0.00 0.69 0.00 0.00 54.13 54.84 2ayx s LEU 747 Cb -0.10 -1.89 0.07 0.00 -0.43 0.00 0.00 46.19 43.83 2ayx s LEU 747 CO 0.07 0.08 0.06 -0.63 -0.29 0.00 0.00 176.35 175.64 2ayx s ILE 748 N 0.92 3.12 0.17 6.68 -1.09 0.09 -0.48 121.20 130.60 2ayx s ILE 748 Ca 0.02 -1.56 0.10 0.00 -2.23 0.00 0.00 60.65 56.99 2ayx s ILE 748 Cb -0.14 -2.90 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 2ayx s ILE 748 CO 0.02 -0.28 -0.20 0.28 -1.23 0.00 0.00 174.94 173.54 2ayx s THR 749 N 1.23 2.62 0.01 2.92 -1.32 -0.86 -0.59 115.64 119.65 2ayx s THR 749 Ca -0.01 -1.84 -0.02 0.00 -1.21 0.00 0.00 61.69 58.61 2ayx s THR 749 Cb -0.20 -2.25 -0.04 0.00 -1.51 0.00 0.00 72.50 68.50 2ayx s THR 749 CO -0.02 -0.06 0.17 1.51 -2.21 0.00 0.00 174.62 174.01 2ayx s ASP 750 N -2.58 6.23 0.85 8.08 -4.77 -1.07 -0.67 116.67 122.75 2ayx s ASP 750 Ca 0.21 0.29 0.00 0.00 -3.30 0.00 0.00 52.55 49.75 2ayx s ASP 750 Cb -0.09 -1.92 0.00 0.00 -1.09 0.00 0.00 42.92 39.83 2ayx s ASP 750 CO 0.11 0.25 0.00 -0.62 0.70 0.00 0.00 175.17 175.60 2ayx n GLU 751 N 0.86 -0.23 -2.81 2.11 -0.58 0.08 -4.64 120.64 115.42 2ayx n GLU 751 Ca -0.10 0.15 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 2ayx n GLU 751 Cb 0.52 -0.29 -0.03 0.00 -0.57 0.00 0.00 31.44 31.07 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 -0.19 4.88 0.12 2.62 1.01 -1.26 -4.61 120.40 122.96 2ayx s VAL 752 Ca 0.00 1.82 0.04 0.00 0.00 0.00 0.00 61.98 63.84 2ayx s VAL 752 Cb 0.00 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2ayx s VAL 752 CO 0.00 0.09 -0.10 0.68 0.00 0.00 0.00 175.10 175.76 2ayx s VAL 753 N 1.63 1.05 -1.30 2.92 -7.23 -1.26 -5.07 120.40 111.14 2ayx s VAL 753 Ca 0.44 -1.84 -0.14 0.00 -1.81 0.00 0.00 61.98 58.63 2ayx s VAL 753 Cb -0.18 -1.60 0.11 0.00 0.56 0.00 0.00 36.38 35.27 2ayx s VAL 753 CO 0.18 -0.65 1.78 -1.20 -0.31 0.00 0.00 175.10 174.91 2ayx n SER 754 N 0.20 4.83 -3.87 4.85 7.64 -1.26 -4.92 113.62 121.10 2ayx n SER 754 Ca -0.13 -2.96 -0.11 0.00 1.01 0.00 0.00 58.87 56.68 2ayx n SER 754 Cb 0.59 -1.63 -0.10 0.00 -1.01 0.00 0.00 64.21 62.06 2ayx n SER 754 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ayx s LYS 755 N 2.52 0.47 0.00 1.43 3.01 -1.26 -5.03 119.74 120.87 2ayx s LYS 755 Ca 0.47 -0.39 0.00 0.00 -1.01 0.00 0.00 55.97 55.04 2ayx s LYS 755 Cb 0.05 0.19 0.00 0.00 -1.01 0.00 0.00 37.83 37.07 2ayx s LYS 755 CO 0.01 -0.11 0.00 1.17 0.51 0.00 0.00 175.35 176.93 2ayx n LYS 756 N 1.51 1.43 -2.12 1.68 3.00 -1.26 -4.96 118.16 117.44 2ayx n LYS 756 Ca -0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.07 2ayx n LYS 756 Cb 0.56 -0.96 -0.02 0.00 0.00 0.00 0.00 35.03 34.61 2ayx n LYS 756 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 2ayx n TRP 757 N -2.21 -2.34 -1.23 5.64 -0.00 -1.26 -4.81 117.44 111.23 2ayx n TRP 757 Ca 0.00 1.24 -0.20 0.00 -0.00 0.00 0.00 57.50 58.54 2ayx n TRP 757 Cb 0.46 -2.84 -0.12 0.00 -0.00 0.00 0.00 31.31 28.81 2ayx n TRP 757 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 177.69 178.73 2ayx n GLN 758 N 0.70 2.36 0.00 5.87 1.13 -1.26 -4.75 117.38 121.43 2ayx n GLN 758 Ca -0.14 -1.63 0.00 0.00 -1.94 0.00 0.00 57.00 53.29 2ayx n GLN 758 Cb 0.22 -2.13 0.00 0.00 0.11 0.00 0.00 30.24 28.44 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 2.01 3.76 0.05 1.08 0.00 -1.26 -4.64 105.19 106.19 2ayx n GLY 759 Ca 0.48 -0.81 -0.01 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 -2.16 1.61 2.43 -0.98 -3.44 114.38 111.84 2ayx h ARG 760 Ca 0.00 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 2ayx h ARG 760 Cb 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.35 2ayx h ARG 760 CO 0.00 0.00 0.11 0.00 -1.51 0.00 0.00 179.97 178.57 2ayx s ALA 761 N -2.62 -1.61 -0.13 2.80 0.00 -1.22 -4.53 121.76 114.45 2ayx s ALA 761 Ca -0.02 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.23 2ayx s ALA 761 Cb 0.00 -0.17 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 2ayx s ALA 761 CO 0.03 -0.35 -0.19 0.54 0.00 0.00 0.00 175.76 175.79 2ayx s VAL 762 N -0.95 2.41 -0.21 0.00 0.11 0.02 -1.55 120.40 120.23 2ayx s VAL 762 Ca -0.10 -0.88 -0.04 0.00 -2.93 0.00 0.00 61.98 58.04 2ayx s VAL 762 Cb -0.01 -1.98 -0.01 0.00 -1.53 0.00 0.00 36.38 32.85 2ayx s VAL 762 CO 0.08 0.54 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.65 2ayx s VAL 763 N 0.59 3.49 -0.28 2.04 1.01 0.36 -1.25 120.40 126.37 2ayx s VAL 763 Ca -0.11 -0.46 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 2ayx s VAL 763 Cb -0.16 -2.57 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 2ayx s VAL 763 CO 0.03 0.43 0.08 -0.89 0.00 0.00 0.00 175.10 174.75 2ayx s THR 764 N 1.24 4.06 -1.10 3.92 2.01 0.18 -2.02 115.64 123.94 2ayx s THR 764 Ca 0.03 -0.53 -0.15 0.00 0.31 0.00 0.00 61.69 61.35 2ayx s THR 764 Cb -0.14 -3.03 0.16 0.00 0.01 0.00 0.00 72.50 69.50 2ayx s THR 764 CO -0.01 0.17 1.30 -0.36 -0.69 0.00 0.00 174.62 175.03 2ayx s PHE 765 N 1.54 3.40 -0.15 4.92 0.08 0.16 -0.85 117.98 127.08 2ayx s PHE 765 Ca 0.04 -1.89 -0.13 0.00 0.12 0.00 0.00 56.93 55.06 2ayx s PHE 765 Cb -0.16 -4.27 -0.05 0.00 -0.57 0.00 0.00 43.02 37.97 2ayx s PHE 765 CO 0.03 -1.40 0.28 0.00 -0.10 0.00 0.00 175.22 174.03 2ayx n ARG 767 N 3.36 3.46 -0.08 0.00 1.74 -1.26 -3.57 116.66 120.31 2ayx n ARG 767 Ca -0.13 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.85 2ayx n ARG 767 Cb 0.52 -1.07 -0.03 0.00 -1.02 0.00 0.00 32.46 30.86 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ayx n ARG 768 N -2.12 0.48 -5.00 5.56 5.12 -1.26 -5.00 116.66 114.45 2ayx n ARG 768 Ca -0.05 0.19 -0.32 0.00 -1.93 0.00 0.00 57.85 55.74 2ayx n ARG 768 Cb 0.59 -1.34 -0.15 0.00 -1.16 0.00 0.00 32.46 30.40 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ayx s HIS 769 N -2.78 2.65 -0.53 -1.55 2.46 -1.26 -5.07 115.29 109.21 2ayx s HIS 769 Ca -0.27 -0.63 0.02 0.00 0.47 0.00 0.00 55.06 54.65 2ayx s HIS 769 Cb 0.05 -1.72 0.14 0.00 -0.13 0.00 0.00 32.58 30.91 2ayx s HIS 769 CO 0.39 -0.17 0.29 0.42 -2.47 0.00 0.00 174.74 173.20 2ayx s ILE 770 N 0.00 2.90 -0.01 0.89 1.09 -1.26 -4.25 121.20 120.56 2ayx s ILE 770 Ca -0.06 -3.11 0.01 0.00 -1.10 0.00 0.00 60.65 56.39 2ayx s ILE 770 Cb -0.15 -2.98 0.01 0.00 -1.06 0.00 0.00 42.46 38.29 2ayx s ILE 770 CO 0.05 -0.80 0.69 0.61 -0.10 0.00 0.00 174.94 175.38 2ayx n GLY 771 N 3.35 -1.02 3.92 6.18 0.00 -1.26 -5.09 105.19 111.27 2ayx n GLY 771 Ca 0.06 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 2ayx n GLY 771 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ayx s ILE 772 N -0.32 5.20 -0.26 -0.61 2.07 -1.26 -5.01 121.20 121.01 2ayx s ILE 772 Ca 0.01 -0.21 -0.38 0.00 -1.41 0.00 0.00 60.65 58.65 2ayx s ILE 772 Cb 0.01 -3.69 -0.14 0.00 0.13 0.00 0.00 42.46 38.77 2ayx s ILE 772 CO 0.00 -0.08 1.84 -2.65 -1.91 0.00 0.00 174.94 172.14 2ayx n PRO 773 N -0.33 1.33 -0.75 3.50 -0.02 -1.26 -4.96 135.00 132.52 2ayx n PRO 773 Ca -0.04 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2ayx n PRO 773 Cb 0.53 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 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 6.25 0.00 -3.86 2.45 -0.00 -1.26 -3.99 117.00 116.59 2ayx n LEU 774 Ca 0.28 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.92 2ayx n LEU 774 Cb 0.17 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.49 2ayx n LEU 774 CO 0.79 -0.41 1.58 -0.62 -0.00 0.00 0.00 177.39 178.73 2ayx n GLU 775 N -0.82 0.61 0.00 1.47 4.71 -0.31 -3.79 120.64 122.51 2ayx n GLU 775 Ca 0.00 -1.53 0.00 0.00 -0.01 0.00 0.00 57.16 55.62 2ayx n GLU 775 Cb 0.00 -3.02 0.00 0.00 -1.01 0.00 0.00 31.44 27.41 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 7.79 0.75 -4.12 3.49 2.85 -1.26 -5.06 118.16 122.59 2ayx n LYS 776 Ca 0.46 -0.72 -0.09 0.00 -1.05 0.00 0.00 58.31 56.92 2ayx n LYS 776 Cb 0.43 -0.76 -0.10 0.00 -0.65 0.00 0.00 35.03 33.95 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 -0.32 0.71 -0.00 0.58 0.00 -1.25 -5.05 121.76 116.44 2ayx s ALA 777 Ca 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 51.96 50.60 2ayx s ALA 777 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 23.12 23.73 2ayx s ALA 777 CO 0.00 -0.43 1.61 -0.35 0.00 0.00 0.00 175.76 176.59 2ayx n PRO 778 N -0.01 1.01 0.00 0.00 -0.04 -1.26 -3.46 135.00 131.25 2ayx n PRO 778 Ca -0.09 -0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2ayx n PRO 778 Cb 0.62 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.08 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 1.10 0.00 2.76 0.55 0.00 -1.26 -4.86 105.19 103.48 2ayx n GLY 779 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 2ayx n GLY 779 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ayx s GLU 780 N 0.00 0.29 0.01 1.61 2.02 -1.22 -0.80 118.70 120.60 2ayx s GLU 780 Ca 0.00 0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.18 2ayx s GLU 780 Cb 0.00 -0.66 -0.01 0.00 0.10 0.00 0.00 34.13 33.56 2ayx s GLU 780 CO 0.00 -0.25 -0.04 -1.58 0.02 0.00 0.00 175.26 173.40 2ayx s TRP 781 N 1.71 0.37 0.06 1.61 0.52 -0.38 -1.16 118.94 121.68 2ayx s TRP 781 Ca -0.00 -0.23 0.07 0.00 0.02 0.00 0.00 56.10 55.96 2ayx s TRP 781 Cb -0.13 -0.24 -0.03 0.00 -1.15 0.00 0.00 33.47 31.93 2ayx s TRP 781 CO -0.03 -0.05 -0.19 0.14 0.02 0.00 0.00 176.95 176.84 2ayx s VAL 782 N -0.59 1.52 -0.27 4.03 -7.23 -1.26 -0.65 120.40 115.95 2ayx s VAL 782 Ca -0.04 -1.27 -0.24 0.00 -1.81 0.00 0.00 61.98 58.62 2ayx s VAL 782 Cb -0.05 -1.36 0.08 0.00 0.56 0.00 0.00 36.38 35.61 2ayx s VAL 782 CO -0.00 0.05 0.74 -2.28 -0.31 0.00 0.00 175.10 173.30 2ayx s HIS 783 N -0.95 -0.80 -0.48 2.82 2.46 -0.03 -4.93 115.29 113.38 2ayx s HIS 783 Ca 0.05 1.89 -0.11 0.00 0.47 0.00 0.00 55.06 57.37 2ayx s HIS 783 Cb -0.09 0.32 0.12 0.00 -0.13 0.00 0.00 32.58 32.80 2ayx s HIS 783 CO 0.02 -0.39 0.37 -1.12 -2.47 0.00 0.00 174.74 171.16 2ayx s SER 784 N 0.53 5.80 0.17 9.88 0.01 -1.23 -1.60 113.70 127.26 2ayx s SER 784 Ca -0.01 -1.83 -0.13 0.00 1.31 0.00 0.00 55.95 55.28 2ayx s SER 784 Cb -0.05 -2.05 0.05 0.00 0.21 0.00 0.00 66.02 64.18 2ayx s SER 784 CO -0.02 -0.71 0.66 1.33 0.41 0.00 0.00 173.24 174.91 2ayx n VAL 785 N 4.98 0.00 -1.49 3.43 0.24 -1.26 -5.03 118.33 119.20 2ayx n VAL 785 Ca -0.09 -0.48 -0.10 0.00 -2.04 0.00 0.00 64.34 61.63 2ayx n VAL 785 Cb 0.41 0.58 0.17 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.43 4.66 -3.29 2.33 0.00 -1.26 -4.95 120.51 116.57 2ayx n ALA 786 Ca -0.10 -3.22 -0.10 0.00 0.00 0.00 0.00 53.44 50.02 2ayx n ALA 786 Cb 0.40 -0.83 0.01 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.08 -2.57 0.12 0.00 0.00 -1.26 -4.69 120.51 111.03 2ayx n ALA 787 Ca 0.39 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.71 2ayx n ALA 787 Cb 1.06 -2.06 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.09 -0.32 0.00 0.00 0.11 -1.99 -3.45 132.00 126.25 2ayx h PRO 788 Ca -0.26 0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.84 2ayx h PRO 788 Cb 1.15 0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2ayx h PRO 788 CO 0.35 -0.21 -0.06 -2.39 -0.21 0.00 0.00 178.00 175.47 2ayx n HIS 789 N -3.27 0.00 -0.11 0.65 1.44 -1.26 -5.00 115.22 107.67 2ayx n HIS 789 Ca -0.04 -0.10 -0.22 0.00 -2.01 0.00 0.00 57.72 55.35 2ayx n HIS 789 Cb 0.13 0.27 -0.08 0.00 0.12 0.00 0.00 29.99 30.43 2ayx n HIS 789 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2ayx n GLU 790 N 0.00 0.47 -0.05 -1.40 -0.00 -1.26 -4.16 120.64 114.24 2ayx n GLU 790 Ca -0.06 0.19 -0.12 0.00 -0.00 0.00 0.00 57.16 57.17 2ayx n GLU 790 Cb 0.34 -1.29 -0.07 0.00 -0.00 0.00 0.00 31.44 30.42 2ayx n GLU 790 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ayx h LEU 791 N -0.65 0.26 -2.19 -1.84 7.12 -1.94 -0.34 115.31 115.73 2ayx h LEU 791 Ca -0.54 -0.36 0.04 0.00 0.13 0.00 0.00 57.88 57.15 2ayx h LEU 791 Cb 1.52 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 41.57 2ayx h LEU 791 CO -0.29 0.56 0.13 1.55 -0.13 0.00 0.00 178.44 180.27 2ayx h PRO 792 N -0.05 0.00 0.01 5.25 0.13 -1.93 0.10 132.00 135.52 2ayx h PRO 792 Ca 0.03 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.00 2ayx h PRO 792 Cb 0.45 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.59 2ayx h PRO 792 CO 0.01 0.00 -0.64 0.00 -0.23 0.00 0.00 178.00 177.14 2ayx h ALA 793 N 1.87 0.06 -0.71 -0.56 0.00 -1.63 -1.61 119.26 116.68 2ayx h ALA 793 Ca 0.07 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2ayx h ALA 793 Cb 0.34 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2ayx h ALA 793 CO -0.00 0.37 0.45 1.25 0.00 0.00 0.00 179.25 181.32 2ayx h LEU 794 N -0.10 0.84 -0.84 0.00 7.12 -0.37 -0.59 115.31 121.37 2ayx h LEU 794 Ca -0.08 -0.05 -0.06 0.00 0.13 0.00 0.00 57.88 57.82 2ayx h LEU 794 Cb 1.36 -0.21 -0.03 0.00 -0.53 0.00 0.00 40.66 41.25 2ayx h LEU 794 CO 0.13 0.64 0.21 0.25 -0.13 0.00 0.00 178.44 179.53 2ayx h LEU 795 N 0.97 1.00 -0.25 2.25 7.12 -0.86 -0.22 115.31 125.32 2ayx h LEU 795 Ca 0.26 -0.18 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 2ayx h LEU 795 Cb -0.06 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 39.79 2ayx h LEU 795 CO -0.05 0.93 0.14 0.00 -0.13 0.00 0.00 178.44 179.33 2ayx h ALA 796 N 1.20 0.32 -0.82 1.25 0.00 -0.82 -0.93 119.26 119.44 2ayx h ALA 796 Ca 0.22 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2ayx h ALA 796 Cb 0.30 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2ayx h ALA 796 CO -0.01 -0.16 0.54 -0.09 0.00 0.00 0.00 179.25 179.53 2ayx h ARG 797 N 0.29 1.04 0.00 0.00 9.65 -0.68 0.52 114.38 125.21 2ayx h ARG 797 Ca 0.09 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2ayx h ARG 797 Cb 0.05 -0.24 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 2ayx h ARG 797 CO -0.01 0.69 0.00 0.97 2.80 0.00 0.00 179.97 184.42 2ayx h ILE 798 N 1.08 0.00 -0.60 1.20 2.10 -0.82 -2.72 117.51 117.74 2ayx h ILE 798 Ca 0.31 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 65.65 2ayx h ILE 798 Cb -0.07 1.55 0.00 0.00 -1.09 0.00 0.00 36.82 37.21 2ayx h ILE 798 CO -0.09 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.76 2ayx n TYR 799 N -2.73 0.80 -2.59 2.19 4.02 -0.38 -4.94 117.16 113.53 2ayx n TYR 799 Ca 0.03 -0.49 -0.19 0.00 -0.01 0.00 0.00 57.90 57.24 2ayx n TYR 799 Cb 0.39 -0.01 0.01 0.00 -0.02 0.00 0.00 39.34 39.71 2ayx n TYR 799 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2ayx n LEU 800 N 1.29 -2.15 -4.44 7.72 4.77 -0.62 -4.94 117.00 118.64 2ayx n LEU 800 Ca 0.20 -0.12 -0.44 0.00 -0.03 0.00 0.00 56.01 55.63 2ayx n LEU 800 Cb 0.56 -2.69 -0.04 0.00 -2.33 0.00 0.00 43.42 38.92 2ayx n LEU 800 CO 0.14 -0.03 0.76 -0.63 -1.33 0.00 0.00 177.39 176.30 2ayx s ILE 801 N -3.01 4.55 -1.10 -0.08 1.01 0.17 -4.96 121.20 117.79 2ayx s ILE 801 Ca 0.11 -0.87 -0.23 0.00 0.00 0.00 0.00 60.65 59.66 2ayx s ILE 801 Cb -0.05 -4.68 -0.04 0.00 0.01 0.00 0.00 42.46 37.70 2ayx s ILE 801 CO 0.14 -1.41 1.86 -1.61 0.00 0.00 0.00 174.94 173.91 2ayx s GLU 802 N 3.36 2.84 0.00 2.79 0.41 -1.26 -4.33 118.70 122.51 2ayx s GLU 802 Ca 0.24 -1.02 0.03 0.00 -0.41 0.00 0.00 54.97 53.80 2ayx s GLU 802 Cb -0.14 -5.24 0.02 0.00 -1.78 0.00 0.00 34.13 26.98 2ayx s GLU 802 CO 0.03 -3.38 0.54 -0.12 -0.49 0.00 0.00 175.26 171.84 2ayx n MET 803 N 8.53 -0.04 -2.25 1.61 1.56 -1.26 -5.01 117.12 120.26 2ayx n MET 803 Ca 0.43 -0.60 -0.42 0.00 -0.27 0.00 0.00 57.70 56.84 2ayx n MET 803 Cb 0.47 -1.01 -0.03 0.00 2.15 0.00 0.00 33.22 34.80 2ayx n MET 803 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 2ayx s GLU 804 N -0.31 4.31 -0.06 2.12 8.01 -1.26 -4.94 118.70 126.58 2ayx s GLU 804 Ca 0.03 1.95 -0.19 0.00 0.01 0.00 0.00 54.97 56.77 2ayx s GLU 804 Cb 0.02 -3.50 -0.14 0.00 -4.31 0.00 0.00 34.13 26.20 2ayx s GLU 804 CO 0.04 -0.52 0.78 0.66 0.01 0.00 0.00 175.26 176.23 2ayx h SER 805 N 7.55 -0.20 0.00 -0.19 4.64 -2.01 -3.46 113.55 119.87 2ayx h SER 805 Ca -0.39 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.63 2ayx h SER 805 Cb 1.19 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2ayx h SER 805 CO 0.89 0.35 0.00 -0.67 -0.87 0.00 0.00 176.83 176.52 2ayx n ASP 806 N -4.93 0.00 -4.46 4.97 2.03 -1.26 -5.10 116.55 107.80 2ayx n ASP 806 Ca -0.07 0.00 -0.58 0.00 0.52 0.00 0.00 54.79 54.66 2ayx n ASP 806 Cb 0.25 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.55 2ayx n ASP 806 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ayx n ASP 807 N -1.13 1.52 -3.11 1.67 -0.08 -1.26 -4.81 116.55 109.35 2ayx n ASP 807 Ca 0.00 0.74 -0.31 0.00 -1.51 0.00 0.00 54.79 53.70 2ayx n ASP 807 Cb 0.00 -1.05 -0.04 0.00 2.34 0.00 0.00 41.12 42.37 2ayx n ASP 807 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2ayx n PRO 808 N 6.89 3.08 -1.90 -0.67 -0.02 -1.26 -4.89 135.00 136.23 2ayx n PRO 808 Ca 0.43 -1.85 -0.36 0.00 -2.02 0.00 0.00 63.50 59.69 2ayx n PRO 808 Cb 0.07 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 30.91 2ayx n PRO 808 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ayx s ALA 809 N 2.33 1.95 0.26 3.55 0.00 -1.26 -4.88 121.76 123.71 2ayx s ALA 809 Ca 0.62 -0.53 -0.19 0.00 0.00 0.00 0.00 51.96 51.85 2ayx s ALA 809 Cb 0.18 -4.34 0.02 0.00 0.00 0.00 0.00 23.12 18.98 2ayx s ALA 809 CO -0.05 -4.16 0.65 1.21 0.00 0.00 0.00 175.76 173.41 2ayx s ASN 810 N 9.29 -0.26 0.24 0.00 3.84 -1.26 -4.97 114.94 121.81 2ayx s ASN 810 Ca 0.76 -0.59 0.00 0.00 0.21 0.00 0.00 52.86 53.24 2ayx s ASN 810 Cb -0.13 0.68 0.00 0.00 -0.55 0.00 0.00 41.25 41.25 2ayx s ASN 810 CO 0.20 -1.25 0.00 0.00 -2.79 0.00 0.00 177.10 173.26 2ayx n ALA 811 N -0.43 2.10 -3.87 1.71 0.00 -1.26 -5.07 120.51 113.69 2ayx n ALA 811 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.12 2ayx n ALA 811 Cb 0.60 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.89 2ayx n ALA 811 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ayx s LEU 812 N -6.31 1.31 -0.84 0.00 1.43 -1.26 -5.07 118.68 107.94 2ayx s LEU 812 Ca 0.00 -0.49 -0.25 0.00 -1.03 0.00 0.00 54.13 52.36 2ayx s LEU 812 Cb 0.00 -0.80 -0.11 0.00 0.03 0.00 0.00 46.19 45.31 2ayx s LEU 812 CO 0.00 -0.17 2.25 -2.84 0.23 0.00 0.00 176.35 175.82 2ayx s PRO 813 N 1.72 1.90 -0.33 1.29 0.02 -1.26 -4.91 135.00 133.43 2ayx s PRO 813 Ca 0.02 0.20 -0.11 0.00 0.02 0.00 0.00 61.00 61.14 2ayx s PRO 813 Cb -0.14 -4.88 -0.01 0.00 0.02 0.00 0.00 34.50 29.49 2ayx s PRO 813 CO -0.08 -4.14 0.19 -1.12 -0.33 0.00 0.00 177.00 171.52 2ayx s SER 814 N 9.88 5.75 -0.42 2.53 0.01 -1.26 -5.03 113.70 125.15 2ayx s SER 814 Ca 0.85 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 57.62 2ayx s SER 814 Cb -0.11 -2.05 0.12 0.00 0.21 0.00 0.00 66.02 64.19 2ayx s SER 814 CO 0.05 -0.22 0.18 -0.89 0.41 0.00 0.00 173.24 172.77 2ayx s THR 815 N 1.65 1.97 0.00 1.44 2.01 -1.26 -4.94 115.64 116.51 2ayx s THR 815 Ca 0.05 -2.60 0.00 0.00 0.31 0.00 0.00 61.69 59.45 2ayx s THR 815 Cb -0.17 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 69.93 2ayx s THR 815 CO 0.08 -0.75 0.00 -0.90 -0.69 0.00 0.00 174.62 172.36 2ayx n ASP 816 N 3.76 0.00 -4.18 3.53 5.68 -1.26 -5.15 116.55 118.93 2ayx n ASP 816 Ca 0.05 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.23 2ayx n ASP 816 Cb 0.37 0.00 -0.10 0.00 -1.14 0.00 0.00 41.12 40.25 2ayx n ASP 816 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2ayx s LYS 817 N 4.99 0.86 0.02 0.11 3.01 -1.26 -5.16 119.74 122.30 2ayx s LYS 817 Ca 0.00 -1.34 -0.15 0.00 -1.01 0.00 0.00 55.97 53.47 2ayx s LYS 817 Cb 0.00 -0.25 0.02 0.00 -1.01 0.00 0.00 37.83 36.59 2ayx s LYS 817 CO 0.00 -0.01 0.32 0.00 0.51 0.00 0.00 175.35 176.17 2ayx s ALA 818 N -3.56 -0.75 0.37 5.17 0.00 -1.26 -4.96 121.76 116.76 2ayx s ALA 818 Ca 0.12 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.29 2ayx s ALA 818 Cb 0.05 0.21 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 2ayx s ALA 818 CO -0.04 -0.35 0.13 0.54 0.00 0.00 0.00 175.76 176.05 2ayx s VAL 819 N -1.99 0.58 0.35 0.00 0.11 -1.26 -5.14 120.40 113.04 2ayx s VAL 819 Ca -0.09 -2.00 0.09 0.00 -2.93 0.00 0.00 61.98 57.05 2ayx s VAL 819 Cb -0.03 -2.45 -0.07 0.00 -1.53 0.00 0.00 36.38 32.30 2ayx s VAL 819 CO 0.00 0.00 -0.08 -0.44 -3.33 0.00 0.00 175.10 171.25 2ayx s SER 820 N -3.52 3.70 0.70 3.54 0.01 -1.26 -4.96 113.70 111.91 2ayx s SER 820 Ca 0.29 -1.22 -0.11 0.00 1.31 0.00 0.00 55.95 56.22 2ayx s SER 820 Cb 0.04 -0.35 0.01 0.00 0.21 0.00 0.00 66.02 65.94 2ayx s SER 820 CO 0.16 -0.24 1.07 -0.62 0.41 0.00 0.00 173.24 174.01 2ayx s ASP 821 N -3.61 5.22 -0.01 2.44 2.15 -1.26 -5.02 116.67 116.57 2ayx s ASP 821 Ca 0.33 1.69 -0.00 0.00 0.43 0.00 0.00 52.55 55.00 2ayx s ASP 821 Cb 0.04 -2.51 -0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2ayx s ASP 821 CO 0.16 -1.55 0.08 -1.13 -0.17 0.00 0.00 175.17 172.57 2ayx h ASN 822 N -0.67 -0.01 -5.00 -0.34 -1.24 -2.00 -3.49 115.58 102.82 2ayx h ASN 822 Ca -0.44 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 56.53 2ayx h ASN 822 Cb 1.22 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 40.11 2ayx h ASN 822 CO 0.56 0.06 0.19 1.51 -1.29 0.00 0.00 177.43 178.46 2ayx s ASP 823 N -3.30 -0.61 -0.55 1.15 -4.77 -1.26 -5.12 116.67 102.21 2ayx s ASP 823 Ca -0.00 0.37 0.05 0.00 -3.30 0.00 0.00 52.55 49.67 2ayx s ASP 823 Cb 0.00 0.56 0.19 0.00 -1.09 0.00 0.00 42.92 42.58 2ayx s ASP 823 CO 0.01 -0.78 0.47 -0.67 0.70 0.00 0.00 175.17 174.90 2ayx n ASP 824 N 0.31 1.44 -4.73 2.11 2.03 -1.26 -5.06 116.55 111.39 2ayx n ASP 824 Ca -0.18 -2.86 -0.35 0.00 0.52 0.00 0.00 54.79 51.91 2ayx n ASP 824 Cb 0.61 -0.65 -0.09 0.00 -0.72 0.00 0.00 41.12 40.27 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2ayx s MET 825 N -0.99 3.11 -0.05 -0.67 -1.94 -1.26 -4.99 119.30 112.52 2ayx s MET 825 Ca 0.31 -0.34 0.05 0.00 -1.71 0.00 0.00 55.69 54.00 2ayx s MET 825 Cb 0.04 -2.89 -0.01 0.00 2.01 0.00 0.00 34.83 33.98 2ayx s MET 825 CO -0.15 0.71 -0.21 -1.64 -0.01 0.00 0.00 175.02 173.72 2ayx s MET 826 N -0.88 2.11 -0.18 2.03 1.00 -1.26 -0.99 119.30 121.13 2ayx s MET 826 Ca 0.13 -0.74 0.01 0.00 0.00 0.00 0.00 55.69 55.09 2ayx s MET 826 Cb -0.12 -1.82 0.02 0.00 0.00 0.00 0.00 34.83 32.92 2ayx s MET 826 CO 0.03 0.31 -0.20 0.42 0.00 0.00 0.00 175.02 175.58 2ayx s ILE 827 N -0.07 2.06 -0.23 2.53 -1.09 -0.04 -0.66 121.20 123.69 2ayx s ILE 827 Ca -0.03 -0.94 -0.07 0.00 -2.23 0.00 0.00 60.65 57.37 2ayx s ILE 827 Cb -0.12 -1.86 -0.03 0.00 -1.58 0.00 0.00 42.46 38.87 2ayx s ILE 827 CO 0.03 0.54 0.07 -0.22 -1.23 0.00 0.00 174.94 174.13 2ayx s LEU 828 N 1.26 3.57 -0.28 2.97 2.96 -0.32 -0.80 118.68 128.04 2ayx s LEU 828 Ca 0.04 -0.11 -0.10 0.00 -0.22 0.00 0.00 54.13 53.75 2ayx s LEU 828 Cb -0.13 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 2ayx s LEU 828 CO -0.12 0.04 0.16 0.54 -1.32 0.00 0.00 176.35 175.64 2ayx s VAL 829 N 1.19 4.93 -0.76 1.68 0.11 -0.03 -0.73 120.40 126.80 2ayx s VAL 829 Ca 0.05 -0.05 -0.05 0.00 -2.93 0.00 0.00 61.98 58.99 2ayx s VAL 829 Cb -0.14 -3.39 0.19 0.00 -1.53 0.00 0.00 36.38 31.51 2ayx s VAL 829 CO 0.03 0.22 0.63 -0.69 -3.33 0.00 0.00 175.10 171.96 2ayx s VAL 830 N 1.70 4.33 0.04 2.04 1.01 -0.05 -0.83 120.40 128.64 2ayx s VAL 830 Ca 0.06 -3.17 0.02 0.00 0.00 0.00 0.00 61.98 58.90 2ayx s VAL 830 Cb -0.16 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.44 2ayx s VAL 830 CO 0.08 -0.98 0.04 -0.62 0.00 0.00 0.00 175.10 173.62 2ayx s ASP 831 N 0.72 5.32 0.08 3.32 2.15 -0.84 -0.84 116.67 126.58 2ayx s ASP 831 Ca 0.21 -0.01 0.17 0.00 0.43 0.00 0.00 52.55 53.34 2ayx s ASP 831 Cb -0.14 -1.41 -0.12 0.00 -0.30 0.00 0.00 42.92 40.95 2ayx s ASP 831 CO -0.07 0.23 0.88 -0.78 -0.17 0.00 0.00 175.17 175.26 2ayx h ASP 832 N 3.80 0.00 -3.68 -0.34 1.82 -1.67 -3.38 116.42 112.97 2ayx h ASP 832 Ca -0.48 0.00 -0.68 0.00 -0.39 0.00 0.00 57.03 55.48 2ayx h ASP 832 Cb 1.17 0.00 -0.34 0.00 0.68 0.00 0.00 39.33 40.84 2ayx h ASP 832 CO 0.61 0.56 -0.66 -1.00 -1.61 0.00 0.00 179.24 177.15 2ayx s HIS 833 N -2.93 3.40 0.30 0.28 3.76 -1.26 -5.01 115.29 113.82 2ayx s HIS 833 Ca -0.02 -2.13 -0.00 0.00 -0.15 0.00 0.00 55.06 52.76 2ayx s HIS 833 Cb 0.09 -2.51 0.69 0.00 1.11 0.00 0.00 32.58 31.96 2ayx s HIS 833 CO 0.81 -0.87 1.57 -1.00 -0.85 0.00 0.00 174.74 174.40 2ayx h PRO 834 N 7.98 0.01 -0.89 8.40 0.13 -2.00 0.99 132.00 146.63 2ayx h PRO 834 Ca -0.17 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.98 2ayx h PRO 834 Cb 1.05 -0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 2ayx h PRO 834 CO 0.58 0.01 0.59 -0.84 -0.23 0.00 0.00 178.00 178.11 2ayx h ILE 835 N 0.01 1.19 -0.16 -3.56 -0.00 -2.00 -0.91 117.51 112.07 2ayx h ILE 835 Ca 0.57 -0.40 -0.05 0.00 -0.00 0.00 0.00 64.86 64.98 2ayx h ILE 835 Cb 1.13 -0.08 -0.00 0.00 -0.00 0.00 0.00 36.82 37.87 2ayx h ILE 835 CO -0.92 0.21 -0.09 0.78 -0.00 0.00 0.00 178.15 178.13 2ayx h ASN 836 N 1.16 0.37 -0.64 2.16 2.35 -1.24 -2.70 115.58 117.03 2ayx h ASN 836 Ca 0.34 -0.43 0.11 0.00 -0.55 0.00 0.00 56.30 55.78 2ayx h ASN 836 Cb -0.05 -0.10 -0.08 0.00 0.05 0.00 0.00 38.32 38.13 2ayx h ASN 836 CO -0.09 0.71 0.21 -0.09 -1.65 0.00 0.00 177.43 176.52 2ayx h ARG 837 N 0.02 0.35 -0.84 0.81 2.43 -1.13 -0.80 114.38 115.23 2ayx h ARG 837 Ca 0.03 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2ayx h ARG 837 Cb 0.58 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 30.00 2ayx h ARG 837 CO 0.03 0.23 0.54 -0.09 -1.51 0.00 0.00 179.97 179.17 2ayx h ARG 838 N 0.37 1.04 0.22 0.20 1.12 -1.07 -0.06 114.38 116.19 2ayx h ARG 838 Ca 0.34 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 59.14 2ayx h ARG 838 Cb 0.47 -0.23 0.00 0.00 -0.01 0.00 0.00 29.97 30.20 2ayx h ARG 838 CO -0.37 0.69 -0.10 1.25 -3.11 0.00 0.00 179.97 178.33 2ayx h LEU 839 N 1.07 -0.25 -0.69 3.80 5.85 -0.85 -2.32 115.31 121.92 2ayx h LEU 839 Ca 0.33 -0.25 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 2ayx h LEU 839 Cb -0.03 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2ayx h LEU 839 CO -0.10 0.15 -0.55 0.17 -0.34 0.00 0.00 178.44 177.78 2ayx h LEU 840 N -0.69 0.00 -1.06 2.25 -0.00 -1.30 -2.30 115.31 112.21 2ayx h LEU 840 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.75 2ayx h LEU 840 Cb 0.48 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.13 2ayx h LEU 840 CO 0.05 0.55 -0.47 0.00 -0.00 0.00 0.00 178.44 178.57 2ayx h ALA 841 N 1.45 1.22 -0.36 0.17 0.00 -1.05 0.52 119.26 121.21 2ayx h ALA 841 Ca -0.01 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 54.34 2ayx h ALA 841 Cb 1.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2ayx h ALA 841 CO 0.07 0.58 -0.31 0.22 0.00 0.00 0.00 179.25 179.81 2ayx h ASP 842 N 0.00 0.90 -0.75 0.00 1.82 -0.95 -0.44 116.42 117.00 2ayx h ASP 842 Ca -0.00 -0.45 -0.04 0.00 -0.39 0.00 0.00 57.03 56.14 2ayx h ASP 842 Cb 0.83 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.56 2ayx h ASP 842 CO 0.06 1.17 0.32 1.56 -1.61 0.00 0.00 179.24 180.74 2ayx h GLN 843 N 0.64 1.12 -0.10 0.28 4.20 -1.04 -1.02 115.11 119.19 2ayx h GLN 843 Ca 0.06 -0.18 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 2ayx h GLN 843 Cb 0.89 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.48 2ayx h GLN 843 CO 0.08 0.89 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.94 2ayx h LEU 844 N 1.09 0.14 -1.16 1.46 4.07 -0.73 -0.88 115.31 119.32 2ayx h LEU 844 Ca 0.26 -0.02 -0.08 0.00 0.08 0.00 0.00 57.88 58.12 2ayx h LEU 844 Cb 0.18 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2ayx h LEU 844 CO -0.02 0.29 -0.36 1.23 -1.08 0.00 0.00 178.44 178.49 2ayx h GLY 845 N 0.62 0.00 0.55 0.83 0.00 0.21 0.12 103.07 105.39 2ayx h GLY 845 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.21 2ayx h GLY 845 CO 0.02 0.00 -0.66 1.76 0.00 0.00 0.00 176.54 177.66 2ayx h SER 846 N 0.00 0.37 -1.53 0.19 0.02 -0.53 -3.44 113.55 108.64 2ayx h SER 846 Ca -0.00 -0.96 -0.28 0.00 -0.84 0.00 0.00 61.79 59.70 2ayx h SER 846 Cb 0.77 -0.12 -0.25 0.00 0.14 0.00 0.00 62.40 62.93 2ayx h SER 846 CO 0.05 1.32 -0.63 -1.48 -1.14 0.00 0.00 176.83 174.94 2ayx s LEU 847 N -7.95 -0.52 0.00 5.07 0.05 -0.43 -4.96 118.68 109.95 2ayx s LEU 847 Ca -0.15 -1.80 0.02 0.00 0.05 0.00 0.00 54.13 52.26 2ayx s LEU 847 Cb 0.00 1.08 0.04 0.00 -2.05 0.00 0.00 46.19 45.26 2ayx s LEU 847 CO 0.80 -0.15 0.77 0.61 -0.55 0.00 0.00 176.35 177.84 2ayx n GLY 848 N 3.53 0.79 7.00 -3.48 0.00 0.40 -4.61 105.19 108.81 2ayx n GLY 848 Ca 0.17 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.04 0.00 -2.87 1.61 4.01 -1.26 -4.04 117.16 114.65 2ayx n TYR 849 Ca -0.07 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.24 2ayx n TYR 849 Cb 0.64 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.63 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 0.00 3.42 -0.10 -0.72 -0.21 -0.16 -4.94 119.66 116.94 2ayx s GLN 850 Ca 0.00 -0.09 -0.29 0.00 0.02 0.00 0.00 55.36 55.01 2ayx s GLN 850 Cb 0.00 -3.98 -0.02 0.00 1.00 0.00 0.00 33.01 30.02 2ayx s GLN 850 CO 0.00 -1.29 0.96 0.00 -2.12 0.00 0.00 175.29 172.85 2ayx s LYS 852 N 1.85 1.46 0.01 0.00 3.01 0.02 -4.95 119.74 121.14 2ayx s LYS 852 Ca 0.47 -1.12 0.04 0.00 -1.01 0.00 0.00 55.97 54.35 2ayx s LYS 852 Cb -0.18 -1.70 -0.01 0.00 -1.01 0.00 0.00 37.83 34.92 2ayx s LYS 852 CO 0.18 0.42 -0.12 0.99 0.51 0.00 0.00 175.35 177.34 2ayx s THR 853 N -0.92 0.91 0.21 2.17 2.01 -1.26 -0.85 115.64 117.91 2ayx s THR 853 Ca 0.10 -0.70 -0.18 0.00 0.31 0.00 0.00 61.69 61.22 2ayx s THR 853 Cb -0.10 -0.80 0.03 0.00 0.01 0.00 0.00 72.50 71.64 2ayx s THR 853 CO 0.03 0.11 0.56 0.00 -0.69 0.00 0.00 174.62 174.63 2ayx s ALA 854 N -0.55 -0.99 -0.44 7.40 0.00 -0.01 -4.92 121.76 122.25 2ayx s ALA 854 Ca 0.02 -0.22 0.06 0.00 0.00 0.00 0.00 51.96 51.83 2ayx s ALA 854 Cb -0.06 0.87 0.22 0.00 0.00 0.00 0.00 23.12 24.15 2ayx s ALA 854 CO 0.00 -0.84 0.61 0.27 0.00 0.00 0.00 175.76 175.80 2ayx n ASN 855 N -0.37 -1.43 0.00 0.00 6.94 -1.26 -1.99 115.26 117.15 2ayx n ASN 855 Ca -0.09 -2.82 0.00 0.00 -0.02 0.00 0.00 54.58 51.65 2ayx n ASN 855 Cb 0.62 0.45 0.00 0.00 -2.36 0.00 0.00 39.78 38.49 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2ayx n ASP 856 N 2.07 0.00 -0.20 0.53 -0.08 -1.26 -4.94 116.55 112.67 2ayx n ASP 856 Ca 0.19 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.39 2ayx n ASP 856 Cb 0.55 0.00 0.05 0.00 2.34 0.00 0.00 41.12 44.06 2ayx n ASP 856 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2ayx h GLY 857 N 0.00 1.12 1.81 0.27 0.00 -1.97 -1.99 103.07 102.32 2ayx h GLY 857 Ca 0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 47.33 46.36 2ayx h GLY 857 CO 0.00 0.75 -0.70 -2.08 0.00 0.00 0.00 176.54 174.50 2ayx h VAL 858 N 0.95 1.44 -0.14 4.60 2.07 -1.96 -2.69 116.25 120.52 2ayx h VAL 858 Ca 0.17 -2.24 -0.14 0.00 0.82 0.00 0.00 66.70 65.31 2ayx h VAL 858 Cb 0.54 2.19 -0.01 0.00 -1.52 0.00 0.00 31.29 32.49 2ayx h VAL 858 CO 0.03 0.66 -0.50 -0.78 0.02 0.00 0.00 177.57 176.99 2ayx h ASP 859 N 0.12 0.40 -0.47 0.57 3.58 -1.91 0.48 116.42 119.20 2ayx h ASP 859 Ca -0.02 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.17 2ayx h ASP 859 Cb 1.25 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.16 2ayx h ASP 859 CO 0.11 0.84 0.06 0.00 -2.88 0.00 0.00 179.24 177.36 2ayx h ALA 860 N 1.17 1.11 -0.16 -0.78 0.00 -1.25 -0.01 119.26 119.34 2ayx h ALA 860 Ca 0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2ayx h ALA 860 Cb 0.99 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2ayx h ALA 860 CO 0.08 0.58 -0.55 -0.07 0.00 0.00 0.00 179.25 179.29 2ayx h LEU 861 N 0.80 0.53 -0.01 0.00 3.38 -1.13 -2.15 115.31 116.73 2ayx h LEU 861 Ca 0.16 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2ayx h LEU 861 Cb 0.40 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ayx h LEU 861 CO 0.01 0.97 0.00 -1.13 0.09 0.00 0.00 178.44 178.38 2ayx h ASN 862 N 0.36 0.02 0.03 -0.43 -1.24 -0.38 -0.09 115.58 113.86 2ayx h ASN 862 Ca 0.01 -0.29 -0.06 0.00 0.71 0.00 0.00 56.30 56.67 2ayx h ASN 862 Cb 1.07 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 40.11 2ayx h ASN 862 CO 0.10 0.31 -0.16 1.62 -1.29 0.00 0.00 177.43 178.00 2ayx h VAL 863 N -0.27 1.20 -0.52 2.57 3.04 -1.06 -1.59 116.25 119.62 2ayx h VAL 863 Ca 0.00 -0.89 -0.05 0.00 -1.01 0.00 0.00 66.70 64.76 2ayx h VAL 863 Cb 0.29 1.26 -0.02 0.00 -2.01 0.00 0.00 31.29 30.81 2ayx h VAL 863 CO 0.00 0.27 0.13 0.25 -1.01 0.00 0.00 177.57 177.21 2ayx h LEU 864 N 0.24 0.79 -1.52 3.16 7.12 -1.17 -1.68 115.31 122.26 2ayx h LEU 864 Ca 0.05 -0.23 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 2ayx h LEU 864 Cb 0.43 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.35 2ayx h LEU 864 CO 0.03 0.82 -0.10 0.28 -0.13 0.00 0.00 178.44 179.34 2ayx h SER 865 N 0.73 0.00 1.17 1.25 0.02 -0.33 -1.13 113.55 115.25 2ayx h SER 865 Ca 0.16 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 2ayx h SER 865 Cb 0.34 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 2ayx h SER 865 CO 0.00 0.10 -0.74 0.50 -1.14 0.00 0.00 176.83 175.55 2ayx h LYS 866 N 0.00 0.00 -4.80 3.45 1.63 -0.94 -3.50 116.57 112.41 2ayx h LYS 866 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2ayx h LYS 866 Cb 0.53 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.10 2ayx h LYS 866 CO 0.01 0.74 -1.13 -1.71 -3.45 0.00 0.00 179.45 173.92 2ayx n ASN 867 N -3.33 -4.07 -2.68 4.20 5.15 -0.43 -5.04 115.26 109.06 2ayx n ASN 867 Ca 0.01 1.22 -0.05 0.00 -0.60 0.00 0.00 54.58 55.16 2ayx n ASN 867 Cb 0.82 -4.78 0.05 0.00 -0.53 0.00 0.00 39.78 35.34 2ayx n ASN 867 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayx n HIS 868 N 1.03 -1.15 -3.69 1.20 1.44 -1.26 -5.08 115.22 107.71 2ayx n HIS 868 Ca -0.18 -1.15 -0.12 0.00 -2.01 0.00 0.00 57.72 54.25 2ayx n HIS 868 Cb 0.28 1.33 -0.07 0.00 0.12 0.00 0.00 29.99 31.65 2ayx n HIS 868 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 2ayx s ILE 869 N 0.10 0.06 -0.11 0.61 -4.36 -1.26 -4.82 121.20 111.42 2ayx s ILE 869 Ca 0.13 -0.52 -0.05 0.00 -0.26 0.00 0.00 60.65 59.95 2ayx s ILE 869 Cb 0.21 -0.94 -0.05 0.00 1.25 0.00 0.00 42.46 42.94 2ayx s ILE 869 CO -0.07 -0.29 -0.14 0.47 0.24 0.00 0.00 174.94 175.15 2ayx n ASP 870 N 0.54 0.90 -4.29 4.36 8.00 0.16 -4.88 116.55 121.35 2ayx n ASP 870 Ca -0.19 0.12 -0.32 0.00 0.71 0.00 0.00 54.79 55.12 2ayx n ASP 870 Cb 0.60 -0.31 -0.16 0.00 -0.02 0.00 0.00 41.12 41.22 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 -2.20 2.29 -0.13 0.53 -1.09 -0.85 -4.14 121.20 115.61 2ayx s ILE 871 Ca -0.15 -0.97 0.01 0.00 -2.23 0.00 0.00 60.65 57.31 2ayx s ILE 871 Cb 0.06 -1.87 -0.01 0.00 -1.58 0.00 0.00 42.46 39.07 2ayx s ILE 871 CO 0.20 0.56 -0.17 -0.69 -1.23 0.00 0.00 174.94 173.61 2ayx s VAL 872 N -0.04 2.61 -0.30 2.92 1.01 -1.09 -1.18 120.40 124.33 2ayx s VAL 872 Ca -0.07 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 2ayx s VAL 872 Cb -0.15 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.19 2ayx s VAL 872 CO 0.05 0.53 0.07 -0.76 0.00 0.00 0.00 175.10 174.99 2ayx s LEU 873 N 0.50 3.91 -0.79 3.92 1.43 0.09 -0.44 118.68 127.30 2ayx s LEU 873 Ca -0.12 -0.88 -0.23 0.00 -1.03 0.00 0.00 54.13 51.88 2ayx s LEU 873 Cb -0.16 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.29 2ayx s LEU 873 CO 0.05 -0.23 1.13 -0.94 0.23 0.00 0.00 176.35 176.59 2ayx s SER 874 N 1.44 6.32 -0.28 2.29 1.04 -0.30 -0.87 113.70 123.34 2ayx s SER 874 Ca 0.01 -1.20 -0.08 0.00 0.48 0.00 0.00 55.95 55.16 2ayx s SER 874 Cb -0.18 -2.46 -0.02 0.00 0.10 0.00 0.00 66.02 63.46 2ayx s SER 874 CO 0.02 -1.44 0.10 -0.62 0.98 0.00 0.00 173.24 172.28 2ayx s ASP 875 N 3.87 5.27 -0.03 7.02 2.15 -0.02 -0.96 116.67 133.97 2ayx s ASP 875 Ca 0.30 -0.38 -0.01 0.00 0.43 0.00 0.00 52.55 52.89 2ayx s ASP 875 Cb -0.10 -1.94 0.02 0.00 -0.30 0.00 0.00 42.92 40.60 2ayx s ASP 875 CO 0.04 -0.11 0.07 -0.69 -0.17 0.00 0.00 175.17 174.31 2ayx s VAL 876 N 1.60 -0.04 -0.45 1.11 1.01 -0.65 -1.77 120.40 121.22 2ayx s VAL 876 Ca 0.05 0.14 0.09 0.00 0.00 0.00 0.00 61.98 62.26 2ayx s VAL 876 Cb -0.16 -0.13 0.39 0.00 0.00 0.00 0.00 36.38 36.48 2ayx s VAL 876 CO 0.04 0.06 0.96 -3.20 0.00 0.00 0.00 175.10 172.96 2ayx n ASN 877 N 3.82 3.32 -3.15 3.32 2.85 -1.26 -1.79 115.26 122.36 2ayx n ASN 877 Ca -0.22 -3.39 0.04 0.00 -0.11 0.00 0.00 54.58 50.90 2ayx n ASN 877 Cb 0.54 -0.53 -0.01 0.00 1.24 0.00 0.00 39.78 41.01 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.32 -2.11 0.00 0.00 177.26 174.83 2ayx s MET 878 N -3.24 0.48 -0.25 1.20 1.75 -1.26 -4.97 119.30 113.00 2ayx s MET 878 Ca 0.43 0.78 -0.28 0.00 -1.25 0.00 0.00 55.69 55.36 2ayx s MET 878 Cb 0.37 0.42 -0.05 0.00 2.84 0.00 0.00 34.83 38.40 2ayx s MET 878 CO -0.11 -0.58 2.24 -2.30 -0.65 0.00 0.00 175.02 173.62 2ayx n PRO 879 N 5.43 1.84 -4.10 4.11 -0.02 -1.26 -4.92 135.00 136.08 2ayx n PRO 879 Ca -0.01 0.47 -0.10 0.00 -2.02 0.00 0.00 63.50 61.84 2ayx n PRO 879 Cb 0.52 -3.23 -0.08 0.00 -0.02 0.00 0.00 33.50 30.70 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 8.66 0.03 0.36 2.55 3.84 -1.26 -5.04 114.94 124.08 2ayx s ASN 880 Ca 1.01 -1.15 0.05 0.00 0.21 0.00 0.00 52.86 52.98 2ayx s ASN 880 Cb -0.34 0.49 0.68 0.00 -0.55 0.00 0.00 41.25 41.52 2ayx s ASN 880 CO 0.35 -0.99 1.93 0.24 -2.79 0.00 0.00 177.10 175.84 2ayx h MET 881 N 2.43 0.53 -2.96 0.43 2.86 -2.06 -3.21 114.93 112.95 2ayx h MET 881 Ca -0.31 -0.09 -0.71 0.00 -2.06 0.00 0.00 59.70 56.53 2ayx h MET 881 Cb 1.25 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 32.76 2ayx h MET 881 CO 0.44 0.49 2.99 -3.47 1.06 0.00 0.00 176.91 178.42 2ayx n ASP 882 N -4.34 7.70 -0.31 1.22 2.03 -1.26 -4.02 116.55 117.57 2ayx n ASP 882 Ca 0.02 -2.90 0.08 0.00 0.52 0.00 0.00 54.79 52.51 2ayx n ASP 882 Cb 0.19 -1.47 0.14 0.00 -0.72 0.00 0.00 41.12 39.25 2ayx n ASP 882 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ayx n GLY 883 N 2.73 4.27 0.00 0.27 0.00 -1.21 -4.74 105.19 106.50 2ayx n GLY 883 Ca 0.66 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.11 0.00 -0.07 1.61 9.36 -1.26 -4.99 117.16 120.70 2ayx n TYR 884 Ca 0.14 0.00 -0.07 0.00 3.32 0.00 0.00 57.90 61.29 2ayx n TYR 884 Cb 0.68 0.00 -0.01 0.00 -0.63 0.00 0.00 39.34 39.38 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 0.04 -0.28 2.98 1.12 -1.85 0.75 114.38 117.14 2ayx h ARG 885 Ca 0.00 -0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.80 2ayx h ARG 885 Cb 0.00 -0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 2ayx h ARG 885 CO 0.00 0.03 -0.13 1.37 -3.11 0.00 0.00 179.97 178.13 2ayx h LEU 886 N 0.04 0.45 -0.28 3.80 -0.00 -1.90 -2.69 115.31 114.74 2ayx h LEU 886 Ca 0.13 -0.12 -0.20 0.00 -0.00 0.00 0.00 57.88 57.69 2ayx h LEU 886 Cb 0.18 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2ayx h LEU 886 CO -0.25 0.62 -0.87 0.71 -0.00 0.00 0.00 178.44 178.65 2ayx h THR 887 N 0.44 1.47 -0.85 0.15 1.35 -1.76 -1.20 112.91 112.51 2ayx h THR 887 Ca 0.08 -2.55 0.06 0.00 -0.55 0.00 0.00 66.41 63.45 2ayx h THR 887 Cb 0.49 2.43 -0.06 0.00 -1.73 0.00 0.00 68.15 69.28 2ayx h THR 887 CO 0.03 0.75 0.53 -0.61 -0.25 0.00 0.00 175.52 175.96 2ayx h GLN 888 N 0.13 0.94 -0.13 4.72 5.75 -0.62 -1.18 115.11 124.73 2ayx h GLN 888 Ca -0.05 -0.06 -0.13 0.00 -0.15 0.00 0.00 58.65 58.27 2ayx h GLN 888 Cb 1.50 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.82 2ayx h GLN 888 CO 0.14 0.62 -0.47 -0.09 -2.65 0.00 0.00 178.83 176.38 2ayx h ARG 889 N 0.97 0.33 -0.35 1.69 2.43 -1.25 -2.73 114.38 115.48 2ayx h ARG 889 Ca 0.37 -0.18 -0.12 0.00 -0.81 0.00 0.00 59.98 59.24 2ayx h ARG 889 Cb 0.16 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 2ayx h ARG 889 CO -0.17 0.74 -0.26 0.97 -1.51 0.00 0.00 179.97 179.74 2ayx h ILE 890 N 0.27 1.28 0.00 1.20 6.09 -0.08 0.27 117.51 126.52 2ayx h ILE 890 Ca 0.02 -1.38 -0.14 0.00 -1.37 0.00 0.00 64.86 61.99 2ayx h ILE 890 Cb 0.94 1.29 -0.02 0.00 0.47 0.00 0.00 36.82 39.50 2ayx h ILE 890 CO 0.08 0.45 -0.66 0.08 -3.07 0.00 0.00 178.15 175.03 2ayx h ARG 891 N 0.61 0.00 -0.17 2.19 0.11 -1.28 -0.33 114.38 115.51 2ayx h ARG 891 Ca 0.08 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.03 2ayx h ARG 891 Cb 0.76 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.83 2ayx h ARG 891 CO 0.06 0.66 -0.46 0.37 0.10 0.00 0.00 179.97 180.70 2ayx h GLN 892 N 0.00 0.43 -0.03 0.08 5.75 -1.15 -3.25 115.11 116.94 2ayx h GLN 892 Ca -0.01 -0.23 -0.11 0.00 -0.15 0.00 0.00 58.65 58.15 2ayx h GLN 892 Cb 1.28 0.01 0.01 0.00 1.07 0.00 0.00 27.48 29.85 2ayx h GLN 892 CO 0.09 0.81 -0.39 -0.07 -2.65 0.00 0.00 178.83 176.61 2ayx h LEU 893 N 0.35 0.40 0.00 -2.39 3.38 -0.77 -3.49 115.31 112.80 2ayx h LEU 893 Ca 0.02 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2ayx h LEU 893 Cb 0.94 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2ayx h LEU 893 CO 0.08 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.27 2ayx n GLY 894 N 0.89 0.53 3.64 0.83 0.00 -0.21 -5.07 105.19 105.80 2ayx n GLY 894 Ca -0.09 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 2ayx n GLY 894 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayx s LEU 895 N 0.00 4.13 0.00 0.99 0.05 -0.76 -4.85 118.68 118.24 2ayx s LEU 895 Ca 0.00 2.18 0.16 0.00 0.05 0.00 0.00 54.13 56.52 2ayx s LEU 895 Cb 0.00 -3.53 0.14 0.00 -2.05 0.00 0.00 46.19 40.75 2ayx s LEU 895 CO 0.00 -1.20 1.03 0.41 -0.55 0.00 0.00 176.35 176.04 2ayx n THR 896 N 6.05 0.05 -4.29 5.48 -1.04 -1.26 -4.99 114.28 114.29 2ayx n THR 896 Ca 0.20 -0.53 -0.21 0.00 -2.04 0.00 0.00 64.05 61.48 2ayx n THR 896 Cb 0.43 1.29 -0.11 0.00 -1.82 0.00 0.00 70.33 70.12 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 -1.33 2.40 0.03 -4.42 2.34 -1.26 -5.12 118.68 111.32 2ayx s LEU 897 Ca 0.20 -0.81 -0.30 0.00 0.06 0.00 0.00 54.13 53.27 2ayx s LEU 897 Cb 0.14 -0.72 -0.05 0.00 -0.56 0.00 0.00 46.19 44.99 2ayx s LEU 897 CO 0.20 -0.06 1.27 -2.84 -1.06 0.00 0.00 176.35 173.86 2ayx s PRO 898 N -2.58 4.37 -0.28 1.48 0.02 -1.26 -4.97 135.00 131.78 2ayx s PRO 898 Ca 0.11 1.83 -0.07 0.00 0.02 0.00 0.00 61.00 62.89 2ayx s PRO 898 Cb -0.06 -3.44 0.00 0.00 0.02 0.00 0.00 34.50 31.02 2ayx s PRO 898 CO 0.05 -0.39 0.07 0.08 -0.33 0.00 0.00 177.00 176.47 2ayx s VAL 899 N 1.64 3.95 -0.48 3.83 1.01 -1.08 -2.67 120.40 126.59 2ayx s VAL 899 Ca 0.60 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 2ayx s VAL 899 Cb -0.30 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.15 2ayx s VAL 899 CO 0.27 0.15 0.57 -0.63 0.00 0.00 0.00 175.10 175.46 2ayx s ILE 900 N 1.51 4.95 -0.86 2.22 1.01 0.41 -0.83 121.20 129.61 2ayx s ILE 900 Ca 0.03 -0.48 -0.21 0.00 0.00 0.00 0.00 60.65 60.00 2ayx s ILE 900 Cb -0.17 -4.23 0.09 0.00 0.01 0.00 0.00 42.46 38.17 2ayx s ILE 900 CO 0.02 -0.69 1.15 -0.83 0.00 0.00 0.00 174.94 174.58 2ayx s GLY 901 N 2.46 1.60 -0.46 6.18 0.00 -0.04 -1.15 107.32 115.91 2ayx s GLY 901 Ca 0.14 -2.35 -0.21 0.00 0.00 0.00 0.00 44.72 42.30 2ayx s GLY 901 CO 0.12 2.18 0.70 0.54 0.00 0.00 0.00 173.10 176.64 2ayx s VAL 902 N 3.63 4.75 0.13 1.40 0.11 -0.13 -0.80 120.40 129.49 2ayx s VAL 902 Ca 0.32 0.08 0.08 0.00 -2.93 0.00 0.00 61.98 59.53 2ayx s VAL 902 Cb -0.08 -4.28 -0.04 0.00 -1.53 0.00 0.00 36.38 30.46 2ayx s VAL 902 CO -0.03 -0.71 -0.18 0.42 -3.33 0.00 0.00 175.10 171.27 2ayx s THR 903 N 3.00 1.63 -0.49 5.04 -4.23 -0.25 -1.64 115.64 118.70 2ayx s THR 903 Ca 0.23 -1.70 -0.28 0.00 -1.18 0.00 0.00 61.69 58.77 2ayx s THR 903 Cb -0.14 -1.62 -0.01 0.00 1.34 0.00 0.00 72.50 72.06 2ayx s THR 903 CO 0.18 -0.24 1.69 0.00 -0.54 0.00 0.00 174.62 175.72 2ayx s ALA 904 N -1.69 2.63 -0.38 3.99 0.00 -0.74 -1.31 121.76 124.27 2ayx s ALA 904 Ca 0.10 -0.31 -0.38 0.00 0.00 0.00 0.00 51.96 51.37 2ayx s ALA 904 Cb -0.07 -4.13 -0.13 0.00 0.00 0.00 0.00 23.12 18.79 2ayx s ALA 904 CO 0.05 -3.11 2.15 -1.71 0.00 0.00 0.00 175.76 173.13 2ayx n ASN 905 N 10.83 1.84 -0.07 0.00 5.15 -1.26 -4.84 115.26 126.91 2ayx n ASN 905 Ca 0.19 0.52 -0.07 0.00 -0.60 0.00 0.00 54.58 54.62 2ayx n ASN 905 Cb 0.49 -1.17 -0.04 0.00 -0.53 0.00 0.00 39.78 38.53 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 11.24 0.05 0.00 5.20 0.00 -1.99 -3.49 119.26 130.26 2ayx h ALA 906 Ca -0.25 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2ayx h ALA 906 Cb 1.34 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2ayx h ALA 906 CO 1.03 0.31 0.00 -0.11 0.00 0.00 0.00 179.25 180.48 2ayx n LEU 907 N -4.64 -0.01 -2.61 0.00 7.94 -1.26 -5.01 117.00 111.41 2ayx n LEU 907 Ca -0.10 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.72 2ayx n LEU 907 Cb 0.28 0.34 0.04 0.00 0.53 0.00 0.00 43.42 44.61 2ayx n LEU 907 CO 0.12 -0.33 0.02 0.00 -1.11 0.00 0.00 177.39 176.09 2ayx n ALA 908 N -2.33 3.42 0.12 1.96 0.00 -1.26 -4.84 120.51 117.58 2ayx n ALA 908 Ca 0.00 -3.15 0.01 0.00 0.00 0.00 0.00 53.44 50.30 2ayx n ALA 908 Cb 0.00 -0.75 0.31 0.00 0.00 0.00 0.00 19.45 19.01 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 2.60 0.18 -0.76 0.00 3.07 -1.97 -1.07 114.58 116.62 2ayx h GLU 909 Ca 0.00 -0.07 -0.05 0.00 -0.50 0.00 0.00 59.36 58.75 2ayx h GLU 909 Cb 1.28 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 2ayx h GLU 909 CO 0.41 0.48 0.27 1.05 -1.40 0.00 0.00 179.01 179.82 2ayx h GLU 910 N 0.16 1.15 -0.31 2.33 -0.00 -2.00 -0.69 114.58 115.22 2ayx h GLU 910 Ca 0.02 -0.22 -0.12 0.00 -0.00 0.00 0.00 59.36 59.04 2ayx h GLU 910 Cb 0.63 -0.18 -0.01 0.00 -0.00 0.00 0.00 28.75 29.19 2ayx h GLU 910 CO 0.05 0.95 -0.31 -0.22 -0.00 0.00 0.00 179.01 179.48 2ayx h LYS 911 N 1.11 0.66 -0.21 1.06 3.64 -1.74 -2.06 116.57 119.03 2ayx h LYS 911 Ca 0.25 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2ayx h LYS 911 Cb 0.26 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 2ayx h LYS 911 CO -0.01 0.88 0.13 1.96 -2.27 0.00 0.00 179.45 180.14 2ayx h GLN 912 N 0.56 0.28 -0.65 1.90 4.20 -0.77 -1.07 115.11 119.56 2ayx h GLN 912 Ca 0.07 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.78 2ayx h GLN 912 Cb 0.80 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 2ayx h GLN 912 CO 0.07 0.20 0.41 -0.09 -0.67 0.00 0.00 178.83 178.75 2ayx h ARG 913 N 0.27 0.78 -0.19 1.46 2.43 -0.94 -0.69 114.38 117.50 2ayx h ARG 913 Ca 0.08 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2ayx h ARG 913 Cb -0.01 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2ayx h ARG 913 CO -0.02 0.52 -0.09 0.00 -1.51 0.00 0.00 179.97 178.87 2ayx h LEU 915 N 0.28 -0.09 -0.01 0.00 5.85 -0.02 -3.35 115.31 117.97 2ayx h LEU 915 Ca 0.06 -0.44 -0.16 0.00 0.84 0.00 0.00 57.88 58.18 2ayx h LEU 915 Cb 0.34 0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.41 2ayx h LEU 915 CO 0.02 0.43 -0.60 1.05 -0.34 0.00 0.00 178.44 179.00 2ayx h GLU 916 N -0.63 0.43 -6.41 1.25 -0.00 -1.11 -3.48 114.58 104.63 2ayx h GLU 916 Ca -0.01 -0.44 -0.49 0.00 -0.00 0.00 0.00 59.36 58.42 2ayx h GLU 916 Cb 0.52 0.12 -0.07 0.00 -0.00 0.00 0.00 28.75 29.33 2ayx h GLU 916 CO 0.02 1.10 -0.80 0.43 -0.00 0.00 0.00 179.01 179.76 2ayx n SER 917 N -4.21 -3.48 -0.00 3.06 7.64 -0.01 -4.86 113.62 111.75 2ayx n SER 917 Ca -0.10 -0.87 -0.00 0.00 1.01 0.00 0.00 58.87 58.91 2ayx n SER 917 Cb 0.67 -3.54 -0.00 0.00 -1.01 0.00 0.00 64.21 60.33 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 -1.64 -0.02 0.00 0.23 0.00 -1.26 -4.95 105.19 97.55 2ayx n GLY 918 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2ayx n GLY 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ayx n MET 919 N -1.80 0.00 0.00 1.61 2.81 -1.26 -4.72 117.12 113.76 2ayx n MET 919 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2ayx n MET 919 Cb 0.30 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.81 2ayx n MET 919 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2ayx n ASP 920 N 0.00 0.00 -4.63 7.83 2.03 -0.01 -2.63 116.55 119.14 2ayx n ASP 920 Ca 0.00 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.07 2ayx n ASP 920 Cb 0.00 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.32 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ayx s SER 921 N 0.00 4.48 -0.21 1.67 1.04 -1.02 -5.01 113.70 114.66 2ayx s SER 921 Ca 0.00 -0.62 -0.01 0.00 0.48 0.00 0.00 55.95 55.80 2ayx s SER 921 Cb 0.00 -0.82 0.01 0.00 0.10 0.00 0.00 66.02 65.31 2ayx s SER 921 CO 0.00 0.03 -0.13 0.00 0.98 0.00 0.00 173.24 174.13 2ayx s LEU 923 N 1.35 2.95 -0.13 0.00 1.43 0.01 -4.95 118.68 119.34 2ayx s LEU 923 Ca 0.04 -0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 52.22 2ayx s LEU 923 Cb -0.14 -1.43 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 2ayx s LEU 923 CO -0.08 -0.05 0.10 -0.44 0.23 0.00 0.00 176.35 176.10 2ayx s SER 924 N -3.63 5.99 0.28 2.29 0.01 -1.26 -1.09 113.70 116.29 2ayx s SER 924 Ca 0.32 0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.91 2ayx s SER 924 Cb -0.04 -1.92 0.61 0.00 0.21 0.00 0.00 66.02 64.88 2ayx s SER 924 CO 0.18 0.35 1.77 0.11 0.41 0.00 0.00 173.24 176.06 2ayx h LYS 925 N 5.42 0.68 -4.21 12.44 1.79 -1.47 -3.12 116.57 128.11 2ayx h LYS 925 Ca -0.50 -0.04 -0.48 0.00 -2.18 0.00 0.00 60.65 57.44 2ayx h LYS 925 Cb 1.20 -0.15 0.05 0.00 -1.58 0.00 0.00 32.23 31.75 2ayx h LYS 925 CO 0.61 0.45 2.08 -2.30 -1.08 0.00 0.00 179.45 179.21 2ayx n PRO 926 N -4.82 1.24 -3.86 3.15 -0.02 -1.26 -4.90 135.00 124.54 2ayx n PRO 926 Ca 0.19 -1.44 -0.34 0.00 -2.02 0.00 0.00 63.50 59.90 2ayx n PRO 926 Cb 0.48 -2.61 -0.05 0.00 -0.02 0.00 0.00 33.50 31.30 2ayx n PRO 926 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2ayx s VAL 927 N 4.86 5.39 0.49 -1.45 0.11 -1.18 -5.11 120.40 123.51 2ayx s VAL 927 Ca 0.47 -0.05 0.08 0.00 -2.93 0.00 0.00 61.98 59.55 2ayx s VAL 927 Cb 0.12 -3.55 0.03 0.00 -1.53 0.00 0.00 36.38 31.45 2ayx s VAL 927 CO 0.10 0.34 0.58 0.42 -3.33 0.00 0.00 175.10 173.20 2ayx s THR 928 N -1.32 2.45 0.38 5.04 -4.23 -1.26 -4.93 115.64 111.76 2ayx s THR 928 Ca 0.27 -1.15 0.05 0.00 -1.18 0.00 0.00 61.69 59.69 2ayx s THR 928 Cb -0.13 -2.59 0.24 0.00 1.34 0.00 0.00 72.50 71.36 2ayx s THR 928 CO 0.18 0.00 2.01 0.25 -0.54 0.00 0.00 174.62 176.51 2ayx h LEU 929 N 0.59 0.54 -0.04 4.79 6.46 -1.99 -0.20 115.31 125.46 2ayx h LEU 929 Ca -0.36 -0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.26 2ayx h LEU 929 Cb 1.28 -0.14 0.01 0.00 -0.73 0.00 0.00 40.66 41.08 2ayx h LEU 929 CO 0.48 0.44 -0.39 -0.78 -0.62 0.00 0.00 178.44 177.57 2ayx h ASP 930 N 0.63 0.41 -0.45 1.25 3.58 -1.98 -1.30 116.42 118.56 2ayx h ASP 930 Ca 0.16 -0.70 -0.12 0.00 0.42 0.00 0.00 57.03 56.80 2ayx h ASP 930 Cb 0.01 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.92 2ayx h ASP 930 CO -0.03 1.05 -0.15 0.58 -2.88 0.00 0.00 179.24 177.81 2ayx h VAL 931 N -0.19 1.27 -0.60 2.25 2.07 -1.91 0.54 116.25 119.68 2ayx h VAL 931 Ca -0.04 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.14 2ayx h VAL 931 Cb 1.08 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 2ayx h VAL 931 CO 0.08 0.45 0.18 -0.29 0.02 0.00 0.00 177.57 178.01 2ayx h ILE 932 N 0.83 1.23 -0.13 4.57 -0.00 -1.08 -1.65 117.51 121.28 2ayx h ILE 932 Ca 0.12 -0.79 -0.01 0.00 -0.00 0.00 0.00 64.86 64.18 2ayx h ILE 932 Cb 0.70 0.58 -0.01 0.00 -0.00 0.00 0.00 36.82 38.09 2ayx h ILE 932 CO 0.05 0.30 0.04 0.50 -0.00 0.00 0.00 178.15 179.05 2ayx h LYS 933 N 0.88 0.19 0.13 2.19 3.64 -0.63 -1.18 116.57 121.80 2ayx h LYS 933 Ca 0.20 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.56 2ayx h LYS 933 Cb 0.26 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 2ayx h LYS 933 CO -0.01 0.31 -0.29 1.96 -2.27 0.00 0.00 179.45 179.16 2ayx h GLN 934 N 0.03 -0.49 -0.32 1.90 7.50 -0.66 0.27 115.11 123.33 2ayx h GLN 934 Ca 0.04 0.03 -0.01 0.00 0.50 0.00 0.00 58.65 59.21 2ayx h GLN 934 Cb 0.20 0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.82 2ayx h GLN 934 CO -0.00 -0.33 0.16 1.15 -1.50 0.00 0.00 178.83 178.31 2ayx h THR 935 N -0.51 1.15 -0.46 -0.54 2.02 -1.28 0.16 112.91 113.44 2ayx h THR 935 Ca 0.03 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.77 2ayx h THR 935 Cb 0.53 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 2ayx h THR 935 CO -0.16 0.16 0.21 -0.07 0.37 0.00 0.00 175.52 176.02 2ayx h LEU 936 N 0.39 0.61 -0.13 2.58 4.07 -1.10 -1.40 115.31 120.34 2ayx h LEU 936 Ca 0.11 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 2ayx h LEU 936 Cb 0.10 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 2ayx h LEU 936 CO -0.02 0.59 0.04 0.74 -1.08 0.00 0.00 178.44 178.71 2ayx h THR 937 N 0.60 1.19 -0.60 0.22 2.02 -0.75 -0.15 112.91 115.44 2ayx h THR 937 Ca 0.16 -0.59 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 2ayx h THR 937 Cb 0.15 1.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2ayx h THR 937 CO -0.02 0.17 0.21 0.25 0.37 0.00 0.00 175.52 176.50 2ayx h LEU 938 N 0.02 0.82 0.06 2.58 5.85 -0.86 -0.26 115.31 123.52 2ayx h LEU 938 Ca 0.04 -0.12 -0.26 0.00 0.84 0.00 0.00 57.88 58.38 2ayx h LEU 938 Cb 0.24 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 2ayx h LEU 938 CO -0.00 0.76 -1.16 1.88 -0.34 0.00 0.00 178.44 179.58 2ayx h TYR 939 N 0.87 0.42 -0.53 1.25 0.05 -1.20 -2.24 116.97 115.59 2ayx h TYR 939 Ca 0.20 -0.30 -0.10 0.00 0.05 0.00 0.00 58.73 58.58 2ayx h TYR 939 Cb 0.22 -0.02 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 2ayx h TYR 939 CO 0.01 1.21 -0.06 0.00 -1.05 0.00 0.00 178.16 178.28 2ayx h ALA 940 N 0.67 0.89 -0.14 3.88 0.00 -0.66 -0.63 119.26 123.28 2ayx h ALA 940 Ca -0.11 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.35 2ayx h ALA 940 Cb 1.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.46 2ayx h ALA 940 CO 0.19 0.64 -0.49 1.05 0.00 0.00 0.00 179.25 180.64 2ayx h GLU 941 N 0.87 0.35 -0.13 0.00 4.11 -1.09 -0.75 114.58 117.94 2ayx h GLU 941 Ca 0.15 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 2ayx h GLU 941 Cb 0.59 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2ayx h GLU 941 CO 0.04 0.77 0.03 -0.09 0.07 0.00 0.00 179.01 179.82 2ayx h ARG 942 N 0.28 0.21 0.00 1.06 9.65 -0.94 -0.46 114.38 124.18 2ayx h ARG 942 Ca 0.01 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.75 2ayx h ARG 942 Cb 0.96 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.50 2ayx h ARG 942 CO 0.08 0.38 -0.44 -0.39 2.80 0.00 0.00 179.97 182.41 2ayx h VAL 943 N -0.00 1.27 -0.37 0.20 -1.51 -1.12 -2.40 116.25 112.33 2ayx h VAL 943 Ca 0.04 -1.53 -0.06 0.00 -1.23 0.00 0.00 66.70 63.92 2ayx h VAL 943 Cb 0.27 1.83 -0.02 0.00 -2.13 0.00 0.00 31.29 31.25 2ayx h VAL 943 CO 0.00 0.43 -0.02 -0.09 -1.23 0.00 0.00 177.57 176.66 2ayx h ARG 944 N 0.00 0.59 -0.53 5.19 2.43 -0.73 -0.15 114.38 121.19 2ayx h ARG 944 Ca -0.00 -0.14 -0.06 0.00 -0.81 0.00 0.00 59.98 58.96 2ayx h ARG 944 Cb 0.80 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2ayx h ARG 944 CO 0.06 0.63 0.09 0.87 -1.51 0.00 0.00 179.97 180.11 2ayx h LYS 945 N 0.56 0.87 0.00 0.20 1.79 -0.59 0.80 116.57 120.20 2ayx h LYS 945 Ca 0.11 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2ayx h LYS 945 Cb 0.39 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 2ayx h LYS 945 CO 0.02 0.84 0.00 0.77 -1.08 0.00 0.00 179.45 180.00 2ayx h SER 946 N 0.75 0.00 0.00 0.86 0.02 -1.18 -2.95 113.55 111.05 2ayx h SER 946 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2ayx h SER 946 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2ayx h SER 946 CO 0.01 0.00 -0.42 -0.09 -1.14 0.00 0.00 176.83 175.19 2ayx h ARG 947 N 0.00 0.00 -2.46 3.45 1.12 -0.54 -3.42 114.38 112.52 2ayx h ARG 947 Ca 0.00 0.00 -0.68 0.00 -1.11 0.00 0.00 59.98 58.19 2ayx h ARG 947 Cb 0.54 0.00 -0.36 0.00 -0.01 0.00 0.00 29.97 30.14 2ayx h ARG 947 CO 0.00 0.00 -0.02 -0.25 -3.11 0.00 0.00 179.97 176.59 2ayx n ASP 948 N -4.35 4.95 0.00 -3.80 8.00 0.23 -5.09 116.55 116.49 2ayx n ASP 948 Ca -0.06 -3.47 0.10 0.00 0.71 0.00 0.00 54.79 52.07 2ayx n ASP 948 Cb 0.22 -0.90 0.57 0.00 -0.02 0.00 0.00 41.12 40.99 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61