#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 3.23 2.83 3.03 0.00 -1.26 -5.10 105.19 107.92 2ayx n GLY 697 Ca 0.00 -1.48 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 2ayx n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ayx s GLY 698 N 0.00 -0.21 -0.55 -0.02 0.00 -1.26 -5.10 107.32 100.19 2ayx s GLY 698 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 44.72 43.71 2ayx s GLY 698 CO 0.00 2.86 1.39 -0.56 0.00 0.00 0.00 173.10 176.79 2ayx s SER 699 N 1.59 6.18 -0.35 1.64 0.01 -1.26 -4.97 113.70 116.54 2ayx s SER 699 Ca 0.16 0.31 -0.03 0.00 1.31 0.00 0.00 55.95 57.71 2ayx s SER 699 Cb -0.14 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.62 2ayx s SER 699 CO -0.07 -1.66 0.10 -0.83 0.41 0.00 0.00 173.24 171.19 2ayx s GLY 700 N 4.24 1.87 -0.40 3.44 0.00 -1.26 -4.94 107.32 110.26 2ayx s GLY 700 Ca 0.52 -2.09 0.08 0.00 0.00 0.00 0.00 44.72 43.23 2ayx s GLY 700 CO 0.26 0.85 1.09 3.33 0.00 0.00 0.00 173.10 178.62 2ayx n VAL 701 N 4.63 2.11 -3.52 1.40 0.24 -1.26 -5.03 118.33 116.90 2ayx n VAL 701 Ca -0.08 -4.47 -0.41 0.00 -2.04 0.00 0.00 64.34 57.34 2ayx n VAL 701 Cb 0.43 -0.84 -0.10 0.00 -1.47 0.00 0.00 33.84 31.86 2ayx n VAL 701 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ayx s GLU 702 N -3.48 3.33 -1.38 7.34 8.01 -1.26 -5.00 118.70 126.26 2ayx s GLU 702 Ca 0.44 -0.76 -0.15 0.00 0.01 0.00 0.00 54.97 54.50 2ayx s GLU 702 Cb 0.41 -3.85 0.03 0.00 -4.31 0.00 0.00 34.13 26.41 2ayx s GLU 702 CO -0.12 -0.54 2.11 0.41 0.01 0.00 0.00 175.26 177.13 2ayx n GLY 703 N 5.12 3.88 0.19 -1.39 0.00 -1.26 -4.32 105.19 107.40 2ayx n GLY 703 Ca -0.12 -1.53 0.02 0.00 0.00 0.00 0.00 46.02 44.39 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 6.79 1.75 -4.81 0.99 4.77 -1.26 -5.04 117.00 120.19 2ayx n LEU 704 Ca 0.51 -1.42 -0.30 0.00 -0.03 0.00 0.00 56.01 54.76 2ayx n LEU 704 Cb 0.41 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2ayx n LEU 704 CO 0.88 0.41 0.71 -0.44 -1.33 0.00 0.00 177.39 177.63 2ayx s SER 705 N -0.61 4.72 0.00 -1.43 0.01 -1.25 -3.96 113.70 111.17 2ayx s SER 705 Ca 0.06 1.37 0.00 0.00 1.31 0.00 0.00 55.95 58.70 2ayx s SER 705 Cb 0.04 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2ayx s SER 705 CO 0.05 -1.83 0.00 0.61 0.41 0.00 0.00 173.24 172.48 2ayx n GLY 706 N -2.09 3.29 3.83 3.44 0.00 -1.24 -4.99 105.19 107.42 2ayx n GLY 706 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2ayx n GLY 706 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ayx s LYS 707 N -0.67 4.15 0.31 1.61 2.36 -1.25 -4.92 119.74 121.32 2ayx s LYS 707 Ca 0.00 0.83 0.09 0.00 -2.55 0.00 0.00 55.97 54.34 2ayx s LYS 707 Cb 0.00 -2.56 -0.04 0.00 -1.05 0.00 0.00 37.83 34.18 2ayx s LYS 707 CO 0.00 0.21 0.05 1.03 1.55 0.00 0.00 175.35 178.19 2ayx s ARG 708 N -2.65 2.27 -0.11 4.03 0.52 -1.26 -0.81 118.95 120.94 2ayx s ARG 708 Ca 0.52 -1.53 -0.01 0.00 -0.52 0.00 0.00 55.73 54.18 2ayx s ARG 708 Cb -0.13 -2.11 0.03 0.00 0.52 0.00 0.00 34.95 33.26 2ayx s ARG 708 CO 0.18 0.23 -0.02 0.00 0.02 0.00 0.00 175.30 175.71 2ayx s TRP 710 N 1.84 3.07 -0.16 0.00 0.52 -0.64 -0.87 118.94 122.70 2ayx s TRP 710 Ca 0.04 -0.41 -0.03 0.00 0.02 0.00 0.00 56.10 55.72 2ayx s TRP 710 Cb -0.13 -3.40 -0.02 0.00 -1.15 0.00 0.00 33.47 28.76 2ayx s TRP 710 CO -0.07 -0.95 -0.05 -0.48 0.02 0.00 0.00 176.95 175.42 2ayx s LEU 711 N 2.60 3.13 -0.36 2.99 2.34 -0.99 -0.51 118.68 127.88 2ayx s LEU 711 Ca 0.16 -0.19 0.06 0.00 0.06 0.00 0.00 54.13 54.22 2ayx s LEU 711 Cb -0.18 -1.75 0.44 0.00 -0.56 0.00 0.00 46.19 44.14 2ayx s LEU 711 CO 0.14 0.14 1.18 0.00 -1.06 0.00 0.00 176.35 176.75 2ayx n ALA 712 N 3.72 5.08 -2.64 1.48 0.00 0.21 -0.86 120.51 127.49 2ayx n ALA 712 Ca -0.18 -4.01 -0.37 0.00 0.00 0.00 0.00 53.44 48.88 2ayx n ALA 712 Cb 0.52 -0.45 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 2ayx n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayx s VAL 713 N -4.99 5.33 0.09 0.00 1.01 -1.26 -2.02 120.40 118.56 2ayx s VAL 713 Ca 0.50 0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.65 2ayx s VAL 713 Cb 0.41 -3.53 -0.26 0.00 0.00 0.00 0.00 36.38 33.00 2ayx s VAL 713 CO -0.06 0.31 1.18 0.03 0.00 0.00 0.00 175.10 176.56 2ayx h ARG 714 N 7.76 0.36 -5.98 2.72 3.08 -1.96 -3.44 114.38 116.92 2ayx h ARG 714 Ca -0.37 -0.52 -0.59 0.00 0.07 0.00 0.00 59.98 58.57 2ayx h ARG 714 Cb 1.17 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 31.40 2ayx h ARG 714 CO 0.63 1.21 1.50 0.09 -1.07 0.00 0.00 179.97 182.33 2ayx n ASN 715 N -3.64 3.24 -0.23 7.04 3.02 -1.26 -4.85 115.26 118.59 2ayx n ASN 715 Ca -0.09 0.19 -0.04 0.00 -0.03 0.00 0.00 54.58 54.61 2ayx n ASN 715 Cb 0.96 -1.56 0.06 0.00 -0.61 0.00 0.00 39.78 38.64 2ayx n ASN 715 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ayx h ALA 716 N 15.17 0.85 -0.71 5.41 0.00 -1.98 0.27 119.26 138.27 2ayx h ALA 716 Ca -0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2ayx h ALA 716 Cb 1.24 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 2ayx h ALA 716 CO 0.96 0.19 0.46 0.66 0.00 0.00 0.00 179.25 181.52 2ayx h SER 717 N 0.82 0.83 -0.01 0.00 4.64 -1.97 0.83 113.55 118.69 2ayx h SER 717 Ca 0.26 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 2ayx h SER 717 Cb -0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2ayx h SER 717 CO -0.10 0.62 -0.02 0.25 -0.87 0.00 0.00 176.83 176.71 2ayx h LEU 718 N 0.97 0.03 0.03 5.97 6.46 -1.64 -2.65 115.31 124.48 2ayx h LEU 718 Ca 0.26 -0.60 -0.00 0.00 -0.12 0.00 0.00 57.88 57.42 2ayx h LEU 718 Cb -0.09 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 39.83 2ayx h LEU 718 CO -0.05 0.62 -0.01 0.00 -0.62 0.00 0.00 178.44 178.38 2ayx h GLN 720 N -0.18 0.74 0.20 0.00 4.15 -0.93 -0.01 115.11 119.09 2ayx h GLN 720 Ca -0.00 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 2ayx h GLN 720 Cb 0.16 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2ayx h GLN 720 CO 0.01 0.49 -0.10 0.35 -1.93 0.00 0.00 178.83 177.65 2ayx h PHE 721 N 0.77 -0.25 -0.41 3.99 3.04 -1.40 -0.22 116.94 122.46 2ayx h PHE 721 Ca 0.24 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.16 2ayx h PHE 721 Cb -0.02 0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.56 2ayx h PHE 721 CO -0.05 -0.10 0.18 -0.07 -2.02 0.00 0.00 178.31 176.25 2ayx h LEU 722 N -0.34 0.55 -0.39 0.59 3.38 -1.31 -2.09 115.31 115.70 2ayx h LEU 722 Ca -0.03 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.81 2ayx h LEU 722 Cb 0.26 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2ayx h LEU 722 CO 0.05 0.54 0.23 -0.08 0.09 0.00 0.00 178.44 179.26 2ayx h GLU 723 N 0.52 0.45 -0.75 1.13 4.81 -0.89 -2.01 114.58 117.85 2ayx h GLU 723 Ca 0.14 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2ayx h GLU 723 Cb 0.15 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 2ayx h GLU 723 CO -0.02 0.30 0.41 1.15 -0.73 0.00 0.00 179.01 180.12 2ayx h THR 724 N 0.46 1.23 -0.52 0.32 2.02 -0.86 -0.07 112.91 115.49 2ayx h THR 724 Ca 0.15 -0.57 -0.11 0.00 0.77 0.00 0.00 66.41 66.65 2ayx h THR 724 Cb 0.00 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 2ayx h THR 724 CO -0.07 0.25 -0.12 0.28 0.37 0.00 0.00 175.52 176.23 2ayx h SER 725 N 1.04 1.00 0.64 4.18 0.02 -0.98 -0.95 113.55 118.49 2ayx h SER 725 Ca 0.26 -0.33 -0.27 0.00 -0.84 0.00 0.00 61.79 60.61 2ayx h SER 725 Cb 0.04 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2ayx h SER 725 CO -0.04 1.12 -1.32 -0.07 -1.14 0.00 0.00 176.83 175.37 2ayx h LEU 726 N 0.88 0.28 -0.34 5.07 4.07 -1.24 -3.16 115.31 120.87 2ayx h LEU 726 Ca 0.13 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.75 2ayx h LEU 726 Cb 0.68 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.33 2ayx h LEU 726 CO 0.05 1.28 0.00 0.00 -1.08 0.00 0.00 178.44 178.69 2ayx n GLN 727 N -3.42 0.15 0.30 1.13 1.13 -0.05 -2.35 117.38 114.27 2ayx n GLN 727 Ca -0.10 0.30 0.20 0.00 -1.94 0.00 0.00 57.00 55.47 2ayx n GLN 727 Cb 1.01 -1.74 1.01 0.00 0.11 0.00 0.00 30.24 30.63 2ayx n GLN 727 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 2ayx h ARG 728 N 0.00 0.00 0.00 -1.09 1.12 -1.13 -3.38 114.38 109.90 2ayx h ARG 728 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2ayx h ARG 728 Cb 0.43 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.39 2ayx h ARG 728 CO 0.00 0.00 0.00 0.43 -3.11 0.00 0.00 179.97 177.29 2ayx n SER 729 N -2.97 0.00 -0.59 -3.80 7.64 -0.99 -5.03 113.62 107.88 2ayx n SER 729 Ca -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.85 2ayx n SER 729 Cb 0.13 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.32 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 3.63 0.90 3.74 0.23 0.00 -1.25 -4.99 105.19 107.45 2ayx n GLY 730 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 5.05 -0.49 -0.61 1.01 -1.22 -3.71 121.20 121.24 2ayx s ILE 731 Ca 0.00 1.15 -0.24 0.00 0.00 0.00 0.00 60.65 61.57 2ayx s ILE 731 Cb 0.00 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.61 2ayx s ILE 731 CO -0.00 0.36 0.86 0.54 0.00 0.00 0.00 174.94 176.70 2ayx s VAL 732 N 0.29 4.53 -0.24 2.92 0.11 0.01 -4.15 120.40 123.87 2ayx s VAL 732 Ca 0.30 0.43 -0.29 0.00 -2.93 0.00 0.00 61.98 59.49 2ayx s VAL 732 Cb -0.17 -4.42 -0.01 0.00 -1.53 0.00 0.00 36.38 30.26 2ayx s VAL 732 CO 0.14 -0.87 1.29 -0.69 -3.33 0.00 0.00 175.10 171.65 2ayx s VAL 733 N 3.59 4.20 -0.09 2.04 1.01 -1.26 -1.83 120.40 128.06 2ayx s VAL 733 Ca 0.31 1.40 0.01 0.00 0.00 0.00 0.00 61.98 63.71 2ayx s VAL 733 Cb -0.12 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.21 2ayx s VAL 733 CO 0.22 -0.31 -0.12 -0.89 0.00 0.00 0.00 175.10 174.00 2ayx s THR 734 N 3.99 1.20 0.19 3.92 2.01 -0.05 -4.94 115.64 121.97 2ayx s THR 734 Ca 0.56 -0.47 -0.33 0.00 0.31 0.00 0.00 61.69 61.76 2ayx s THR 734 Cb -0.19 -1.13 -0.13 0.00 0.01 0.00 0.00 72.50 71.06 2ayx s THR 734 CO 0.19 0.38 1.61 0.41 -0.69 0.00 0.00 174.62 176.52 2ayx n THR 735 N 4.20 0.13 -2.00 -0.82 -1.04 -1.26 -2.33 114.28 111.15 2ayx n THR 735 Ca -0.19 -0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.44 2ayx n THR 735 Cb 0.51 -1.69 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 2ayx n THR 735 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ayx n TYR 736 N 3.40 3.02 0.48 -1.42 9.36 -0.04 -4.65 117.16 127.30 2ayx n TYR 736 Ca 0.16 -1.87 0.11 0.00 3.32 0.00 0.00 57.90 59.61 2ayx n TYR 736 Cb 0.31 -2.47 0.44 0.00 -0.63 0.00 0.00 39.34 36.99 2ayx n TYR 736 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2ayx n GLU 737 N 7.98 0.14 0.00 2.98 4.71 -1.26 -4.82 120.64 130.37 2ayx n GLU 737 Ca 0.47 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.95 2ayx n GLU 737 Cb 0.45 -1.74 0.00 0.00 -1.01 0.00 0.00 31.44 29.14 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ayx n GLY 738 N 0.20 1.05 0.00 0.62 0.00 -1.26 -5.14 105.19 100.66 2ayx n GLY 738 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.03 0.66 -2.06 1.61 3.00 -1.26 -4.98 117.38 114.32 2ayx n GLN 739 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2ayx n GLN 739 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 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 -1.69 4.21 0.02 -1.09 2.02 -1.26 -4.95 118.70 115.96 2ayx s GLU 740 Ca 0.00 2.14 -0.30 0.00 0.02 0.00 0.00 54.97 56.83 2ayx s GLU 740 Cb 0.00 -3.82 -0.07 0.00 0.10 0.00 0.00 34.13 30.34 2ayx s GLU 740 CO 0.00 -0.76 1.68 -1.25 0.02 0.00 0.00 175.26 174.94 2ayx s PRO 741 N 3.41 4.19 -0.22 0.39 0.04 -1.26 -4.99 135.00 136.57 2ayx s PRO 741 Ca 0.70 2.30 -0.07 0.00 0.04 0.00 0.00 61.00 63.97 2ayx s PRO 741 Cb -0.33 -3.78 -0.03 0.00 0.04 0.00 0.00 34.50 30.39 2ayx s PRO 741 CO 0.28 -0.79 0.07 0.99 0.04 0.00 0.00 177.00 177.59 2ayx s THR 742 N 3.27 4.54 -0.60 1.26 2.01 -1.26 -4.83 115.64 120.03 2ayx s THR 742 Ca 0.75 -0.11 0.17 0.00 0.31 0.00 0.00 61.69 62.81 2ayx s THR 742 Cb -0.38 -3.08 0.17 0.00 0.01 0.00 0.00 72.50 69.22 2ayx s THR 742 CO 0.32 0.39 1.52 -0.81 -0.69 0.00 0.00 174.62 175.36 2ayx n PRO 743 N 4.25 0.11 0.00 4.92 -0.04 -1.26 -0.92 135.00 142.06 2ayx n PRO 743 Ca -0.16 0.46 0.07 0.00 -0.04 0.00 0.00 63.50 63.83 2ayx n PRO 743 Cb 0.52 -1.76 0.05 0.00 -0.04 0.00 0.00 33.50 32.27 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 -1.96 1.09 -4.09 0.54 -0.58 -1.26 -2.02 120.64 112.35 2ayx n GLU 744 Ca 0.01 -1.26 -0.23 0.00 -0.42 0.00 0.00 57.16 55.26 2ayx n GLU 744 Cb 0.12 -1.26 -0.06 0.00 -0.57 0.00 0.00 31.44 29.67 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayx s ASP 745 N -1.25 4.64 0.08 1.62 1.01 -0.10 -4.76 116.67 117.92 2ayx s ASP 745 Ca 0.16 -0.82 0.08 0.00 0.71 0.00 0.00 52.55 52.68 2ayx s ASP 745 Cb 0.12 -0.68 -0.03 0.00 1.01 0.00 0.00 42.92 43.33 2ayx s ASP 745 CO 0.20 -0.34 -0.22 0.68 0.21 0.00 0.00 175.17 175.69 2ayx s VAL 746 N -2.45 1.84 -0.47 -1.27 -7.23 -1.26 -1.31 120.40 108.24 2ayx s VAL 746 Ca 0.38 -1.43 -0.09 0.00 -1.81 0.00 0.00 61.98 59.03 2ayx s VAL 746 Cb -0.02 -1.62 0.12 0.00 0.56 0.00 0.00 36.38 35.42 2ayx s VAL 746 CO 0.23 0.11 0.33 -0.22 -0.31 0.00 0.00 175.10 175.25 2ayx s LEU 747 N -1.58 5.66 -0.51 1.32 0.20 -0.72 -1.61 118.68 121.44 2ayx s LEU 747 Ca 0.09 -1.94 -0.21 0.00 0.69 0.00 0.00 54.13 52.76 2ayx s LEU 747 Cb -0.10 -1.99 0.04 0.00 -0.43 0.00 0.00 46.19 43.71 2ayx s LEU 747 CO 0.03 -0.68 0.75 -0.63 -0.29 0.00 0.00 176.35 175.54 2ayx s ILE 748 N 1.33 4.68 0.09 6.68 1.01 0.34 -0.45 121.20 134.88 2ayx s ILE 748 Ca 0.06 -0.06 0.09 0.00 0.00 0.00 0.00 60.65 60.75 2ayx s ILE 748 Cb -0.26 -4.37 -0.04 0.00 0.01 0.00 0.00 42.46 37.80 2ayx s ILE 748 CO -0.01 -0.88 -0.22 0.28 0.00 0.00 0.00 174.94 174.11 2ayx s THR 749 N 3.18 2.56 -0.44 2.92 -1.32 0.07 -0.62 115.64 121.99 2ayx s THR 749 Ca 0.23 -1.49 -0.18 0.00 -1.21 0.00 0.00 61.69 59.03 2ayx s THR 749 Cb -0.16 -2.12 0.03 0.00 -1.51 0.00 0.00 72.50 68.75 2ayx s THR 749 CO 0.16 0.19 0.49 -0.62 -2.21 0.00 0.00 174.62 172.63 2ayx s ASP 750 N -1.84 6.22 0.62 8.08 -1.08 -0.86 -1.51 116.67 126.30 2ayx s ASP 750 Ca 0.15 -0.69 0.00 0.00 -0.52 0.00 0.00 52.55 51.49 2ayx s ASP 750 Cb -0.10 -2.24 0.00 0.00 -1.46 0.00 0.00 42.92 39.11 2ayx s ASP 750 CO 0.07 -0.65 0.00 -0.62 0.52 0.00 0.00 175.17 174.49 2ayx n GLU 751 N 5.75 0.00 -3.01 4.34 1.02 0.16 -4.71 120.64 124.19 2ayx n GLU 751 Ca -0.07 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.66 2ayx n GLU 751 Cb 0.47 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.84 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ayx s VAL 752 N 0.00 4.84 0.25 2.62 1.01 -1.26 -4.68 120.40 123.19 2ayx s VAL 752 Ca 0.00 1.03 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 2ayx s VAL 752 Cb 0.00 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2ayx s VAL 752 CO 0.00 -0.23 0.45 0.54 0.00 0.00 0.00 175.10 175.86 2ayx s VAL 753 N 2.84 5.16 -0.02 2.92 0.11 -1.26 -4.99 120.40 125.16 2ayx s VAL 753 Ca 0.30 -0.40 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 2ayx s VAL 753 Cb -0.14 -3.78 -0.02 0.00 -1.53 0.00 0.00 36.38 30.91 2ayx s VAL 753 CO 0.13 -0.30 2.24 -1.20 -3.33 0.00 0.00 175.10 172.63 2ayx n SER 754 N -1.04 5.42 -1.08 3.54 7.64 -1.26 -4.76 113.62 122.08 2ayx n SER 754 Ca -0.05 -2.47 -0.00 0.00 1.01 0.00 0.00 58.87 57.36 2ayx n SER 754 Cb 0.55 -1.17 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 2ayx n SER 754 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ayx n LYS 755 N 1.56 0.05 0.00 1.43 4.01 -1.26 -5.12 118.16 118.83 2ayx n LYS 755 Ca 0.08 -0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 2ayx n LYS 755 Cb 0.56 0.12 0.00 0.00 -0.51 0.00 0.00 35.03 35.21 2ayx n LYS 755 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2ayx n LYS 756 N -0.02 0.00 0.00 1.97 4.01 -1.26 -5.08 118.16 117.78 2ayx n LYS 756 Ca -0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2ayx n LYS 756 Cb 0.03 -0.02 0.00 0.00 -0.51 0.00 0.00 35.03 34.53 2ayx n LYS 756 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 2ayx n TRP 757 N -1.46 0.00 -2.90 2.13 -0.00 -1.26 -4.88 117.44 109.07 2ayx n TRP 757 Ca 0.00 0.00 -0.44 0.00 -0.00 0.00 0.00 57.50 57.06 2ayx n TRP 757 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 0.00 3.67 0.00 5.87 3.00 -1.26 -4.89 117.38 123.77 2ayx n GLN 758 Ca 0.00 -4.04 0.00 0.00 -0.01 0.00 0.00 57.00 52.95 2ayx n GLN 758 Cb 0.00 -2.81 0.00 0.00 0.00 0.00 0.00 30.24 27.43 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ayx n GLY 759 N 2.96 3.80 0.09 1.08 0.00 -1.26 -4.11 105.19 107.75 2ayx n GLY 759 Ca 0.33 -0.33 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.09 -1.67 1.61 2.43 -0.58 -3.44 114.38 112.63 2ayx h ARG 760 Ca 0.00 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2ayx h ARG 760 Cb 0.00 0.02 -0.22 0.00 -0.42 0.00 0.00 29.97 29.35 2ayx h ARG 760 CO 0.00 0.32 0.45 0.00 -1.51 0.00 0.00 179.97 179.23 2ayx s ALA 761 N -2.84 -1.89 -0.11 2.80 0.00 -1.23 -4.83 121.76 113.65 2ayx s ALA 761 Ca -0.09 1.55 0.02 0.00 0.00 0.00 0.00 51.96 53.44 2ayx s ALA 761 Cb -0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 2ayx s ALA 761 CO 0.33 -0.32 -0.18 0.54 0.00 0.00 0.00 175.76 176.14 2ayx s VAL 762 N -1.01 2.62 -0.32 0.00 0.11 -0.11 -1.76 120.40 119.95 2ayx s VAL 762 Ca -0.04 -0.82 -0.05 0.00 -2.93 0.00 0.00 61.98 58.14 2ayx s VAL 762 Cb -0.01 -2.06 0.03 0.00 -1.53 0.00 0.00 36.38 32.82 2ayx s VAL 762 CO 0.03 0.54 0.07 -0.69 -3.33 0.00 0.00 175.10 171.73 2ayx s VAL 763 N 0.24 3.63 -0.25 2.04 1.01 0.40 -1.29 120.40 126.19 2ayx s VAL 763 Ca -0.12 -1.07 -0.09 0.00 0.00 0.00 0.00 61.98 60.70 2ayx s VAL 763 Cb -0.16 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 2ayx s VAL 763 CO 0.06 -0.09 0.11 -0.89 0.00 0.00 0.00 175.10 174.30 2ayx s THR 764 N 1.39 4.76 -0.21 3.92 2.01 0.39 -0.75 115.64 127.16 2ayx s THR 764 Ca -0.01 -0.02 -0.18 0.00 0.31 0.00 0.00 61.69 61.79 2ayx s THR 764 Cb -0.19 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.06 2ayx s THR 764 CO 0.02 0.34 0.50 -0.36 -0.69 0.00 0.00 174.62 174.42 2ayx s PHE 765 N 1.39 3.36 -0.13 4.92 0.40 -0.57 -1.63 117.98 125.72 2ayx s PHE 765 Ca 0.06 0.74 -0.13 0.00 -0.60 0.00 0.00 56.93 57.00 2ayx s PHE 765 Cb -0.15 -2.65 -0.05 0.00 0.51 0.00 0.00 43.02 40.68 2ayx s PHE 765 CO 0.05 -0.10 0.28 0.00 0.70 0.00 0.00 175.22 176.15 2ayx n ARG 767 N 3.10 0.00 0.00 0.00 0.00 -1.26 -4.38 116.66 114.11 2ayx n ARG 767 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.72 2ayx n ARG 767 Cb 0.52 -0.33 0.00 0.00 0.00 0.00 0.00 32.46 32.65 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 -3.30 0.00 -3.02 -0.14 3.00 -1.26 -5.03 116.66 106.91 2ayx n ARG 768 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.85 57.42 2ayx n ARG 768 Cb 0.10 -0.43 -0.06 0.00 0.00 0.00 0.00 32.46 32.07 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 -1.46 3.03 -0.71 -0.14 3.76 -1.26 -4.98 115.29 113.53 2ayx s HIS 769 Ca 0.00 0.12 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 2ayx s HIS 769 Cb 0.00 -3.52 0.17 0.00 1.11 0.00 0.00 32.58 30.34 2ayx s HIS 769 CO 0.00 -0.92 0.51 0.42 -0.85 0.00 0.00 174.74 173.91 2ayx s ILE 770 N 3.10 3.29 -0.03 0.60 1.01 -1.26 -4.15 121.20 123.76 2ayx s ILE 770 Ca 0.27 -3.86 0.04 0.00 0.00 0.00 0.00 60.65 57.11 2ayx s ILE 770 Cb -0.13 -3.14 0.07 0.00 0.01 0.00 0.00 42.46 39.27 2ayx s ILE 770 CO 0.21 -0.97 0.94 0.61 0.00 0.00 0.00 174.94 175.72 2ayx n GLY 771 N 2.44 2.04 3.63 6.18 0.00 -1.26 -5.02 105.19 113.19 2ayx n GLY 771 Ca 0.16 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.14 4.53 0.64 -0.61 -1.09 -1.26 -5.08 121.20 117.19 2ayx s ILE 772 Ca 0.07 -0.14 -0.18 0.00 -2.23 0.00 0.00 60.65 58.18 2ayx s ILE 772 Cb 0.06 -3.00 -0.01 0.00 -1.58 0.00 0.00 42.46 37.93 2ayx s ILE 772 CO 0.01 0.51 1.26 -2.84 -1.23 0.00 0.00 174.94 172.65 2ayx s PRO 773 N 0.00 2.61 0.00 2.79 0.02 -1.26 -4.94 135.00 134.23 2ayx s PRO 773 Ca 0.04 1.98 0.00 0.00 0.02 0.00 0.00 61.00 63.04 2ayx s PRO 773 Cb -0.12 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.53 2ayx s PRO 773 CO 0.01 -1.53 0.00 1.47 -0.33 0.00 0.00 177.00 176.63 2ayx n LEU 774 N -1.91 0.00 0.00 -5.54 -0.00 -1.26 -4.23 117.00 104.06 2ayx n LEU 774 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 2ayx n LEU 774 Cb 0.49 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.93 2ayx n LEU 774 CO 0.46 -0.12 0.11 -0.62 -0.00 0.00 0.00 177.39 177.23 2ayx n GLU 775 N -0.23 0.12 0.26 1.47 4.71 0.59 -0.83 120.64 126.72 2ayx n GLU 775 Ca 0.00 0.00 0.17 0.00 -0.01 0.00 0.00 57.16 57.32 2ayx n GLU 775 Cb 0.00 -1.08 0.82 0.00 -1.01 0.00 0.00 31.44 30.17 2ayx n GLU 775 CO 0.00 0.00 0.00 1.57 0.09 0.00 0.00 177.13 178.79 2ayx h LYS 776 N 0.00 0.00 -6.20 3.49 2.10 -1.91 -3.43 116.57 110.62 2ayx h LYS 776 Ca 0.00 0.00 -0.50 0.00 -2.00 0.00 0.00 60.65 58.15 2ayx h LYS 776 Cb 0.00 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.28 2ayx h LYS 776 CO 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 179.45 176.94 2ayx s ALA 777 N -3.75 3.65 -1.04 0.07 0.00 -0.01 -5.03 121.76 115.65 2ayx s ALA 777 Ca -0.01 -1.47 0.14 0.00 0.00 0.00 0.00 51.96 50.62 2ayx s ALA 777 Cb 0.10 -1.28 0.62 0.00 0.00 0.00 0.00 23.12 22.56 2ayx s ALA 777 CO 0.42 0.19 1.45 -0.35 0.00 0.00 0.00 175.76 177.47 2ayx n PRO 778 N -1.23 0.02 -0.71 0.00 -0.04 -1.26 -3.64 135.00 128.14 2ayx n PRO 778 Ca -0.06 0.25 -0.02 0.00 -0.04 0.00 0.00 63.50 63.62 2ayx n PRO 778 Cb 0.58 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.52 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 -0.03 0.80 3.34 0.55 0.00 -1.26 -5.04 105.19 103.54 2ayx n GLY 779 Ca 0.04 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 3.33 -0.01 1.61 8.01 -1.24 -0.93 118.70 129.47 2ayx s GLU 780 Ca 0.02 -0.71 0.04 0.00 0.01 0.00 0.00 54.97 54.33 2ayx s GLU 780 Cb 0.03 -2.61 -0.01 0.00 -4.31 0.00 0.00 34.13 27.23 2ayx s GLU 780 CO -0.01 0.18 -0.13 -1.58 0.01 0.00 0.00 175.26 173.72 2ayx s TRP 781 N 0.43 1.22 0.02 1.61 0.52 -0.41 -0.30 118.94 122.03 2ayx s TRP 781 Ca -0.11 -0.25 0.03 0.00 0.02 0.00 0.00 56.10 55.79 2ayx s TRP 781 Cb -0.16 -0.80 -0.01 0.00 -1.15 0.00 0.00 33.47 31.35 2ayx s TRP 781 CO 0.05 -0.04 -0.09 0.14 0.02 0.00 0.00 176.95 177.03 2ayx s VAL 782 N -0.23 0.73 -0.16 4.03 -7.23 -1.26 -0.46 120.40 115.82 2ayx s VAL 782 Ca 0.03 -0.68 -0.29 0.00 -1.81 0.00 0.00 61.98 59.23 2ayx s VAL 782 Cb -0.06 -0.67 0.11 0.00 0.56 0.00 0.00 36.38 36.33 2ayx s VAL 782 CO -0.00 -0.00 0.93 -1.00 -0.31 0.00 0.00 175.10 174.71 2ayx s HIS 783 N -0.64 -0.46 -0.49 2.82 3.76 -0.65 -4.93 115.29 114.70 2ayx s HIS 783 Ca -0.00 0.86 -0.13 0.00 -0.15 0.00 0.00 55.06 55.63 2ayx s HIS 783 Cb -0.06 0.42 0.10 0.00 1.11 0.00 0.00 32.58 34.15 2ayx s HIS 783 CO 0.00 -0.38 0.40 -1.54 -0.85 0.00 0.00 174.74 172.37 2ayx s SER 784 N -0.86 5.98 0.17 1.40 1.04 -1.26 -1.49 113.70 118.68 2ayx s SER 784 Ca -0.03 -1.63 -0.17 0.00 0.48 0.00 0.00 55.95 54.60 2ayx s SER 784 Cb -0.01 -2.12 0.03 0.00 0.10 0.00 0.00 66.02 64.02 2ayx s SER 784 CO 0.02 -0.71 0.47 0.68 0.98 0.00 0.00 173.24 174.68 2ayx s VAL 785 N 1.53 0.04 -0.49 5.02 -7.23 -1.26 -4.99 120.40 113.02 2ayx s VAL 785 Ca 0.04 -0.70 0.03 0.00 -1.81 0.00 0.00 61.98 59.54 2ayx s VAL 785 Cb -0.26 -1.42 0.62 0.00 0.56 0.00 0.00 36.38 35.88 2ayx s VAL 785 CO 0.03 -0.19 1.93 0.00 -0.31 0.00 0.00 175.10 176.56 2ayx n ALA 786 N -0.29 5.74 -2.99 1.32 0.00 -1.26 -4.94 120.51 118.09 2ayx n ALA 786 Ca -0.12 -3.04 -0.13 0.00 0.00 0.00 0.00 53.44 50.15 2ayx n ALA 786 Cb 0.63 -1.50 0.01 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.10 -2.86 -1.42 0.00 0.00 -1.26 -4.64 120.51 109.23 2ayx n ALA 787 Ca 0.60 0.95 0.00 0.00 0.00 0.00 0.00 53.44 54.99 2ayx n ALA 787 Cb 1.44 -3.36 0.00 0.00 0.00 0.00 0.00 19.45 17.53 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 -0.42 0.00 -0.01 0.00 -0.05 -1.26 -4.85 135.00 128.41 2ayx n PRO 788 Ca 0.07 0.00 0.04 0.00 -0.05 0.00 0.00 63.50 63.56 2ayx n PRO 788 Cb 0.50 0.00 0.04 0.00 -0.05 0.00 0.00 33.50 33.99 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 0.00 0.03 -0.06 0.54 1.44 -1.26 -4.57 115.22 111.34 2ayx n HIS 789 Ca 0.00 -0.05 -0.22 0.00 -2.01 0.00 0.00 57.72 55.43 2ayx n HIS 789 Cb 0.00 -0.00 -0.12 0.00 0.12 0.00 0.00 29.99 29.98 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 0.37 0.66 -0.07 -1.40 0.00 -1.26 -3.76 120.64 115.18 2ayx n GLU 790 Ca 0.05 0.36 -0.14 0.00 0.00 0.00 0.00 57.16 57.42 2ayx n GLU 790 Cb 0.20 -1.68 -0.06 0.00 0.00 0.00 0.00 31.44 29.91 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 -0.42 0.75 -2.04 -1.84 6.46 -1.96 -0.25 115.31 116.00 2ayx h LEU 791 Ca -0.45 -0.54 0.06 0.00 -0.12 0.00 0.00 57.88 56.83 2ayx h LEU 791 Cb 1.73 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 41.43 2ayx h LEU 791 CO -0.09 1.14 0.15 1.55 -0.62 0.00 0.00 178.44 180.57 2ayx h PRO 792 N 0.38 0.00 -0.04 5.25 0.13 -1.80 -0.31 132.00 135.60 2ayx h PRO 792 Ca 0.01 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.95 2ayx h PRO 792 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 2ayx h PRO 792 CO 0.09 0.00 -0.79 0.00 -0.23 0.00 0.00 178.00 177.07 2ayx h ALA 793 N 1.88 0.57 -0.67 -0.56 0.00 -1.55 -2.26 119.26 116.68 2ayx h ALA 793 Ca 0.10 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2ayx h ALA 793 Cb 0.40 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2ayx h ALA 793 CO -0.00 0.81 0.43 1.25 0.00 0.00 0.00 179.25 181.74 2ayx h LEU 794 N 0.21 0.78 -0.89 0.00 7.12 0.56 0.08 115.31 123.18 2ayx h LEU 794 Ca -0.04 -0.03 -0.03 0.00 0.13 0.00 0.00 57.88 57.91 2ayx h LEU 794 Cb 1.38 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 41.27 2ayx h LEU 794 CO 0.13 0.58 0.41 0.25 -0.13 0.00 0.00 178.44 179.68 2ayx h LEU 795 N 0.91 1.10 -0.29 2.25 7.12 -1.09 0.80 115.31 126.11 2ayx h LEU 795 Ca 0.24 -0.13 -0.02 0.00 0.13 0.00 0.00 57.88 58.11 2ayx h LEU 795 Cb -0.08 -0.28 -0.01 0.00 -0.53 0.00 0.00 40.66 39.76 2ayx h LEU 795 CO -0.05 0.92 0.11 0.00 -0.13 0.00 0.00 178.44 179.29 2ayx h ALA 796 N 1.25 0.38 -0.32 1.25 0.00 -0.85 -2.01 119.26 118.96 2ayx h ALA 796 Ca 0.29 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2ayx h ALA 796 Cb 0.11 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ayx h ALA 796 CO -0.04 -0.01 -0.11 0.07 0.00 0.00 0.00 179.25 179.16 2ayx h ARG 797 N 0.31 0.54 0.00 0.00 0.11 -0.71 -2.07 114.38 112.56 2ayx h ARG 797 Ca 0.10 -0.15 -0.03 0.00 0.10 0.00 0.00 59.98 59.99 2ayx h ARG 797 Cb 0.21 -0.06 -0.00 0.00 1.11 0.00 0.00 29.97 31.22 2ayx h ARG 797 CO -0.01 0.64 -0.16 0.82 0.10 0.00 0.00 179.97 181.36 2ayx h ILE 798 N 0.50 0.71 0.31 0.08 2.04 -0.52 -2.27 117.51 118.35 2ayx h ILE 798 Ca 0.09 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2ayx h ILE 798 Cb 0.49 1.41 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2ayx h ILE 798 CO 0.03 0.16 -0.15 0.22 0.00 0.00 0.00 178.15 178.41 2ayx h TYR 799 N 0.00 -0.38 0.00 1.37 3.20 -0.64 -3.46 116.97 117.06 2ayx h TYR 799 Ca -0.00 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 2ayx h TYR 799 Cb 0.40 0.13 -0.09 0.00 1.54 0.00 0.00 36.73 38.70 2ayx h TYR 799 CO 0.00 -0.24 0.19 1.28 -1.64 0.00 0.00 178.16 177.75 2ayx n LEU 800 N -3.56 -1.13 -4.10 2.82 4.77 -1.14 -5.09 117.00 109.58 2ayx n LEU 800 Ca -0.05 -1.77 -0.36 0.00 -0.03 0.00 0.00 56.01 53.80 2ayx n LEU 800 Cb 0.16 0.88 -0.10 0.00 -2.33 0.00 0.00 43.42 42.03 2ayx n LEU 800 CO 0.12 1.16 -0.01 -0.63 -1.33 0.00 0.00 177.39 176.71 2ayx s ILE 801 N 0.03 3.62 -0.50 -0.08 1.01 -0.87 -4.91 121.20 119.50 2ayx s ILE 801 Ca 0.05 -2.78 0.04 0.00 0.00 0.00 0.00 60.65 57.95 2ayx s ILE 801 Cb 0.08 -3.38 0.42 0.00 0.01 0.00 0.00 42.46 39.58 2ayx s ILE 801 CO -0.03 -0.84 1.38 -1.84 0.00 0.00 0.00 174.94 173.62 2ayx n GLU 802 N 3.71 3.29 -2.24 2.79 0.28 -1.26 -4.65 120.64 122.55 2ayx n GLU 802 Ca 0.06 -4.13 -0.42 0.00 -0.16 0.00 0.00 57.16 52.50 2ayx n GLU 802 Cb 0.38 -2.27 -0.00 0.00 1.43 0.00 0.00 31.44 30.99 2ayx n GLU 802 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 2ayx n MET 803 N -0.59 3.04 -4.09 3.44 2.81 -1.26 -4.86 117.12 115.61 2ayx n MET 803 Ca 0.45 -3.00 -0.14 0.00 -1.81 0.00 0.00 57.70 53.20 2ayx n MET 803 Cb 0.66 -3.42 -0.13 0.00 -0.71 0.00 0.00 33.22 29.62 2ayx n MET 803 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2ayx s GLU 804 N 3.86 0.42 -0.35 0.03 -1.05 -1.26 -5.09 118.70 115.26 2ayx s GLU 804 Ca 0.51 -0.42 -0.27 0.00 -0.15 0.00 0.00 54.97 54.64 2ayx s GLU 804 Cb 0.08 -0.30 -0.05 0.00 -0.44 0.00 0.00 34.13 33.42 2ayx s GLU 804 CO 0.02 0.07 2.20 -1.12 0.95 0.00 0.00 175.26 177.38 2ayx s SER 805 N -0.76 5.16 0.27 0.83 0.01 -1.26 -4.93 113.70 113.02 2ayx s SER 805 Ca -0.04 1.44 -0.29 0.00 1.31 0.00 0.00 55.95 58.37 2ayx s SER 805 Cb -0.05 -2.51 -0.09 0.00 0.21 0.00 0.00 66.02 63.57 2ayx s SER 805 CO -0.00 -2.27 1.06 -0.62 0.41 0.00 0.00 173.24 171.83 2ayx s ASP 806 N 9.30 7.35 -0.22 2.44 2.15 -1.26 -5.04 116.67 131.39 2ayx s ASP 806 Ca 0.95 2.20 -0.03 0.00 0.43 0.00 0.00 52.55 56.09 2ayx s ASP 806 Cb -0.25 -2.62 0.11 0.00 -0.30 0.00 0.00 42.92 39.86 2ayx s ASP 806 CO 0.31 -0.08 0.30 -0.62 -0.17 0.00 0.00 175.17 174.92 2ayx s ASP 807 N -0.96 0.74 0.71 -0.34 2.15 -1.26 -5.16 116.67 112.55 2ayx s ASP 807 Ca 0.44 0.05 -0.08 0.00 0.43 0.00 0.00 52.55 53.39 2ayx s ASP 807 Cb -0.30 0.78 0.05 0.00 -0.30 0.00 0.00 42.92 43.15 2ayx s ASP 807 CO 0.39 -0.31 1.04 -2.16 -0.17 0.00 0.00 175.17 173.96 2ayx s PRO 808 N 2.44 2.31 -0.04 4.34 0.04 -1.26 -5.06 135.00 137.77 2ayx s PRO 808 Ca 0.09 -0.09 -0.19 0.00 0.04 0.00 0.00 61.00 60.86 2ayx s PRO 808 Cb -0.15 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.21 2ayx s PRO 808 CO -0.14 -1.22 0.54 0.00 0.04 0.00 0.00 177.00 176.23 2ayx s ALA 809 N -3.29 3.50 0.25 8.56 0.00 -1.26 -5.07 121.76 124.46 2ayx s ALA 809 Ca 0.59 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.31 2ayx s ALA 809 Cb -0.11 -2.68 -0.08 0.00 0.00 0.00 0.00 23.12 20.25 2ayx s ALA 809 CO 0.46 0.15 0.72 1.21 0.00 0.00 0.00 175.76 178.30 2ayx s ASN 810 N -0.02 6.97 0.06 0.00 3.84 -1.26 -5.08 114.94 119.44 2ayx s ASN 810 Ca 0.29 1.37 -0.02 0.00 0.21 0.00 0.00 52.86 54.71 2ayx s ASN 810 Cb -0.17 -2.40 -0.04 0.00 -0.55 0.00 0.00 41.25 38.09 2ayx s ASN 810 CO 0.15 -0.03 -0.00 0.00 -2.79 0.00 0.00 177.10 174.43 2ayx s ALA 811 N -1.64 0.44 0.18 1.71 0.00 -1.26 -5.15 121.76 116.03 2ayx s ALA 811 Ca 0.46 -1.15 -0.24 0.00 0.00 0.00 0.00 51.96 51.02 2ayx s ALA 811 Cb -0.15 0.32 -0.08 0.00 0.00 0.00 0.00 23.12 23.21 2ayx s ALA 811 CO 0.20 -0.39 0.77 -0.51 0.00 0.00 0.00 175.76 175.83 2ayx s LEU 812 N -2.92 4.55 0.17 0.00 1.02 -1.26 -5.02 118.68 115.22 2ayx s LEU 812 Ca 0.07 1.62 -0.32 0.00 0.02 0.00 0.00 54.13 55.53 2ayx s LEU 812 Cb 0.08 -3.36 -0.10 0.00 0.02 0.00 0.00 46.19 42.83 2ayx s LEU 812 CO -0.10 0.18 1.60 -2.16 0.02 0.00 0.00 176.35 175.89 2ayx s PRO 813 N -1.30 4.20 -0.12 1.29 0.04 -1.26 -4.90 135.00 132.96 2ayx s PRO 813 Ca 0.37 2.40 -0.32 0.00 0.04 0.00 0.00 61.00 63.48 2ayx s PRO 813 Cb -0.22 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 31.05 2ayx s PRO 813 CO 0.25 -0.64 2.00 0.43 0.04 0.00 0.00 177.00 179.08 2ayx n SER 814 N 4.08 3.42 -4.27 6.66 7.64 -1.26 -4.96 113.62 124.93 2ayx n SER 814 Ca 0.14 0.76 -0.31 0.00 1.01 0.00 0.00 58.87 60.47 2ayx n SER 814 Cb 0.38 -1.42 -0.16 0.00 -1.01 0.00 0.00 64.21 62.00 2ayx n SER 814 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ayx s THR 815 N 5.26 2.04 -0.37 0.44 2.01 -1.26 -5.09 115.64 118.67 2ayx s THR 815 Ca 0.95 -1.07 0.03 0.00 0.31 0.00 0.00 61.69 61.91 2ayx s THR 815 Cb -0.60 -1.72 0.11 0.00 0.01 0.00 0.00 72.50 70.30 2ayx s THR 815 CO 0.47 0.57 0.10 -0.62 -0.69 0.00 0.00 174.62 174.45 2ayx s ASP 816 N -0.26 4.46 -0.89 3.53 2.15 -1.26 -5.05 116.67 119.35 2ayx s ASP 816 Ca -0.01 -2.20 -0.11 0.00 0.43 0.00 0.00 52.55 50.66 2ayx s ASP 816 Cb -0.13 -1.42 0.23 0.00 -0.30 0.00 0.00 42.92 41.30 2ayx s ASP 816 CO 0.03 -0.36 0.83 -0.54 -0.17 0.00 0.00 175.17 174.96 2ayx s LYS 817 N 0.85 3.65 -0.27 4.34 -0.14 -1.26 -4.98 119.74 121.93 2ayx s LYS 817 Ca 0.12 -2.74 -0.24 0.00 -1.36 0.00 0.00 55.97 51.75 2ayx s LYS 817 Cb -0.20 -4.36 0.07 0.00 -1.68 0.00 0.00 37.83 31.66 2ayx s LYS 817 CO -0.10 -1.26 0.72 0.00 -0.76 0.00 0.00 175.35 173.95 2ayx s ALA 818 N -0.37 -1.79 -0.91 5.17 0.00 -1.26 -5.09 121.76 117.50 2ayx s ALA 818 Ca 0.22 2.07 -0.24 0.00 0.00 0.00 0.00 51.96 54.01 2ayx s ALA 818 Cb -0.11 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.82 2ayx s ALA 818 CO -0.08 -0.34 1.61 0.54 0.00 0.00 0.00 175.76 177.48 2ayx s VAL 819 N 0.51 3.70 -0.36 0.00 0.11 -1.26 -4.84 120.40 118.26 2ayx s VAL 819 Ca -0.01 -0.39 -0.03 0.00 -2.93 0.00 0.00 61.98 58.62 2ayx s VAL 819 Cb -0.05 -4.63 0.10 0.00 -1.53 0.00 0.00 36.38 30.28 2ayx s VAL 819 CO -0.01 -1.54 2.50 -1.20 -3.33 0.00 0.00 175.10 171.52 2ayx n SER 820 N 10.82 6.37 -3.95 3.54 7.64 -1.26 -4.75 113.62 132.03 2ayx n SER 820 Ca 0.30 -3.08 -0.30 0.00 1.01 0.00 0.00 58.87 56.79 2ayx n SER 820 Cb 0.50 -1.17 -0.14 0.00 -1.01 0.00 0.00 64.21 62.38 2ayx n SER 820 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayx s ASP 821 N 0.41 4.40 -0.43 6.43 -1.08 -1.26 -4.95 116.67 120.20 2ayx s ASP 821 Ca 0.47 -2.72 0.05 0.00 -0.52 0.00 0.00 52.55 49.83 2ayx s ASP 821 Cb 0.31 -1.59 0.19 0.00 -1.46 0.00 0.00 42.92 40.38 2ayx s ASP 821 CO -0.11 -0.28 0.47 -3.20 0.52 0.00 0.00 175.17 172.57 2ayx n ASN 822 N 3.49 -0.92 -3.95 -0.34 5.15 -1.26 -5.09 115.26 112.33 2ayx n ASN 822 Ca 0.05 -2.57 -0.31 0.00 -0.60 0.00 0.00 54.58 51.15 2ayx n ASN 822 Cb 0.35 -0.10 -0.15 0.00 -0.53 0.00 0.00 39.78 39.35 2ayx n ASN 822 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2ayx s ASP 823 N -0.19 4.42 0.00 1.20 1.01 -1.26 -5.03 116.67 116.82 2ayx s ASP 823 Ca 0.33 -1.78 0.00 0.00 0.71 0.00 0.00 52.55 51.80 2ayx s ASP 823 Cb 0.07 -1.39 0.00 0.00 1.01 0.00 0.00 42.92 42.62 2ayx s ASP 823 CO -0.16 -0.34 0.00 -0.67 0.21 0.00 0.00 175.17 174.21 2ayx n ASP 824 N 4.47 0.00 -4.56 0.27 2.03 -1.26 -4.74 116.55 112.76 2ayx n ASP 824 Ca -0.02 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.88 2ayx n ASP 824 Cb 0.42 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.79 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2ayx s MET 825 N 0.30 3.51 -0.51 -0.67 1.75 -1.26 -4.95 119.30 117.47 2ayx s MET 825 Ca 0.00 -1.01 -0.20 0.00 -1.25 0.00 0.00 55.69 53.23 2ayx s MET 825 Cb 0.00 -5.26 0.05 0.00 2.84 0.00 0.00 34.83 32.47 2ayx s MET 825 CO 0.00 -2.26 0.66 0.00 -0.65 0.00 0.00 175.02 172.77 2ayx s MET 826 N 5.14 3.15 -0.13 4.11 0.23 -1.26 -1.58 119.30 128.95 2ayx s MET 826 Ca 0.46 -0.80 0.00 0.00 -1.03 0.00 0.00 55.69 54.33 2ayx s MET 826 Cb -0.01 -4.09 -0.01 0.00 -1.53 0.00 0.00 34.83 29.19 2ayx s MET 826 CO -0.08 -1.24 -0.15 0.42 -2.03 0.00 0.00 175.02 171.95 2ayx s ILE 827 N 2.77 2.88 -0.13 3.16 -1.09 -0.29 -2.58 121.20 125.93 2ayx s ILE 827 Ca 0.17 -0.72 -0.15 0.00 -2.23 0.00 0.00 60.65 57.72 2ayx s ILE 827 Cb -0.18 -2.20 -0.05 0.00 -1.58 0.00 0.00 42.46 38.45 2ayx s ILE 827 CO 0.13 0.53 0.35 -0.22 -1.23 0.00 0.00 174.94 174.50 2ayx s LEU 828 N 0.42 4.29 -0.49 2.97 0.20 -0.92 -0.90 118.68 124.26 2ayx s LEU 828 Ca -0.11 0.65 -0.02 0.00 0.69 0.00 0.00 54.13 55.34 2ayx s LEU 828 Cb -0.16 -2.47 0.13 0.00 -0.43 0.00 0.00 46.19 43.25 2ayx s LEU 828 CO 0.05 0.12 0.28 -0.69 -0.29 0.00 0.00 176.35 175.82 2ayx s VAL 829 N 0.23 3.32 -0.91 1.68 1.01 0.19 -0.51 120.40 125.41 2ayx s VAL 829 Ca 0.20 -2.49 -0.14 0.00 0.00 0.00 0.00 61.98 59.54 2ayx s VAL 829 Cb -0.14 -3.25 0.21 0.00 0.00 0.00 0.00 36.38 33.20 2ayx s VAL 829 CO 0.07 -0.76 0.93 -0.69 0.00 0.00 0.00 175.10 174.65 2ayx s VAL 830 N 0.59 5.45 0.16 2.92 1.01 -0.16 -2.10 120.40 128.27 2ayx s VAL 830 Ca 0.12 -2.42 0.04 0.00 0.00 0.00 0.00 61.98 59.73 2ayx s VAL 830 Cb -0.22 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.55 2ayx s VAL 830 CO -0.04 -1.19 0.16 -0.62 0.00 0.00 0.00 175.10 173.41 2ayx s ASP 831 N 2.40 5.67 0.19 3.32 -1.08 -0.78 -0.67 116.67 125.72 2ayx s ASP 831 Ca 0.24 -0.07 0.19 0.00 -0.52 0.00 0.00 52.55 52.40 2ayx s ASP 831 Cb -0.08 -1.53 -0.01 0.00 -1.46 0.00 0.00 42.92 39.84 2ayx s ASP 831 CO -0.09 0.07 1.08 -0.78 0.52 0.00 0.00 175.17 175.97 2ayx h ASP 832 N 2.42 0.00 -3.33 -0.34 3.58 -1.67 -3.38 116.42 113.70 2ayx h ASP 832 Ca -0.48 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.44 2ayx h ASP 832 Cb 1.20 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 41.86 2ayx h ASP 832 CO 0.64 0.28 -0.78 -1.00 -2.88 0.00 0.00 179.24 175.50 2ayx s HIS 833 N -3.13 1.49 0.22 0.28 3.76 -1.26 -4.97 115.29 111.68 2ayx s HIS 833 Ca 0.00 -0.99 -0.16 0.00 -0.15 0.00 0.00 55.06 53.76 2ayx s HIS 833 Cb 0.08 -1.21 0.25 0.00 1.11 0.00 0.00 32.58 32.81 2ayx s HIS 833 CO 0.78 -0.60 1.57 -1.35 -0.85 0.00 0.00 174.74 174.29 2ayx h PRO 834 N 8.16 -0.05 -1.01 8.40 0.11 -1.99 0.95 132.00 146.58 2ayx h PRO 834 Ca -0.21 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.94 2ayx h PRO 834 Cb 1.11 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 2ayx h PRO 834 CO 0.37 -0.03 0.66 0.97 -0.21 0.00 0.00 178.00 179.76 2ayx h ILE 835 N -0.05 1.18 -0.34 4.15 6.09 -2.00 0.03 117.51 126.57 2ayx h ILE 835 Ca 0.33 -0.44 -0.16 0.00 -1.37 0.00 0.00 64.86 63.23 2ayx h ILE 835 Cb 0.60 -0.21 -0.00 0.00 0.47 0.00 0.00 36.82 37.67 2ayx h ILE 835 CO -0.87 0.23 -0.41 0.78 -3.07 0.00 0.00 178.15 174.81 2ayx h ASN 836 N 1.28 0.96 -0.67 2.19 2.35 -1.32 -2.72 115.58 117.65 2ayx h ASN 836 Ca 0.40 -0.49 0.09 0.00 -0.55 0.00 0.00 56.30 55.75 2ayx h ASN 836 Cb 0.00 -0.27 -0.07 0.00 0.05 0.00 0.00 38.32 38.03 2ayx h ASN 836 CO -0.13 1.25 0.32 -0.09 -1.65 0.00 0.00 177.43 177.13 2ayx h ARG 837 N 0.68 0.54 -0.62 0.81 2.43 -0.35 -1.71 114.38 116.16 2ayx h ARG 837 Ca 0.05 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 2ayx h ARG 837 Cb 1.01 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.35 2ayx h ARG 837 CO 0.10 0.35 0.14 -0.09 -1.51 0.00 0.00 179.97 178.97 2ayx h ARG 838 N 0.55 0.27 -0.15 0.20 1.12 -0.71 0.50 114.38 116.15 2ayx h ARG 838 Ca 0.33 -0.02 -0.01 0.00 -1.11 0.00 0.00 59.98 59.17 2ayx h ARG 838 Cb 0.35 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.24 2ayx h ARG 838 CO -0.27 0.18 0.06 1.25 -3.11 0.00 0.00 179.97 178.08 2ayx h LEU 839 N 0.27 0.21 -0.45 3.80 5.85 -1.09 0.42 115.31 124.32 2ayx h LEU 839 Ca 0.33 -0.18 -0.17 0.00 0.84 0.00 0.00 57.88 58.71 2ayx h LEU 839 Cb 0.50 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 2ayx h LEU 839 CO -0.41 0.33 -0.51 0.17 -0.34 0.00 0.00 178.44 177.68 2ayx h LEU 840 N 0.08 0.78 -1.24 2.25 -0.00 -1.13 -1.75 115.31 114.30 2ayx h LEU 840 Ca 0.05 -0.40 -0.07 0.00 -0.00 0.00 0.00 57.88 57.46 2ayx h LEU 840 Cb 0.19 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 2ayx h LEU 840 CO -0.00 1.15 -0.27 0.00 -0.00 0.00 0.00 178.44 179.32 2ayx h ALA 841 N 0.87 1.37 -0.50 0.17 0.00 -0.84 0.73 119.26 121.05 2ayx h ALA 841 Ca 0.02 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 2ayx h ALA 841 Cb 1.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2ayx h ALA 841 CO 0.11 0.44 0.07 0.22 0.00 0.00 0.00 179.25 180.09 2ayx h ASP 842 N 0.17 0.81 -0.35 0.00 3.58 -0.60 -0.12 116.42 119.90 2ayx h ASP 842 Ca 0.03 -0.27 -0.04 0.00 0.42 0.00 0.00 57.03 57.17 2ayx h ASP 842 Cb 0.57 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.38 2ayx h ASP 842 CO 0.04 0.88 0.07 1.56 -2.88 0.00 0.00 179.24 178.91 2ayx h GLN 843 N 0.72 0.58 -0.61 0.28 7.50 -0.68 -1.29 115.11 121.61 2ayx h GLN 843 Ca 0.15 -0.15 -0.00 0.00 0.50 0.00 0.00 58.65 59.15 2ayx h GLN 843 Cb 0.42 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.85 2ayx h GLN 843 CO 0.01 0.64 0.37 1.25 -1.50 0.00 0.00 178.83 179.60 2ayx h LEU 844 N 0.42 0.74 -0.54 1.46 6.46 -0.77 -0.29 115.31 122.79 2ayx h LEU 844 Ca 0.11 -0.06 -0.05 0.00 -0.12 0.00 0.00 57.88 57.75 2ayx h LEU 844 Cb 0.34 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.06 2ayx h LEU 844 CO 0.00 0.59 0.12 1.23 -0.62 0.00 0.00 178.44 179.76 2ayx h GLY 845 N 0.83 0.94 1.96 3.75 0.00 -0.86 -1.76 103.07 107.92 2ayx h GLY 845 Ca 0.22 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2ayx h GLY 845 CO -0.04 0.55 0.00 1.44 0.00 0.00 0.00 176.54 178.49 2ayx n SER 846 N -4.41 0.00 0.02 0.19 7.64 -0.50 -2.39 113.62 114.17 2ayx n SER 846 Ca 0.02 0.44 -0.05 0.00 1.01 0.00 0.00 58.87 60.30 2ayx n SER 846 Cb 0.24 -0.48 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 2ayx n SER 846 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2ayx h LEU 847 N 0.00 0.00 0.00 -3.43 5.85 -0.48 -3.49 115.31 113.76 2ayx h LEU 847 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2ayx h LEU 847 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2ayx h LEU 847 CO 0.00 0.83 0.00 0.61 -0.34 0.00 0.00 178.44 179.54 2ayx n GLY 848 N 1.45 1.32 3.85 3.75 0.00 -0.71 -5.09 105.19 109.76 2ayx n GLY 848 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.70 2ayx n GLY 848 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ayx s TYR 849 N -2.00 2.87 -0.31 1.61 1.51 -0.97 -5.00 117.35 115.06 2ayx s TYR 849 Ca 0.00 -0.33 -0.16 0.00 -1.01 0.00 0.00 57.07 55.57 2ayx s TYR 849 Cb 0.00 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.99 2ayx s TYR 849 CO 0.00 0.15 0.42 -0.65 -1.11 0.00 0.00 175.55 174.36 2ayx s GLN 850 N -4.01 3.81 -0.22 -0.62 1.11 -0.62 -4.42 119.66 114.69 2ayx s GLN 850 Ca 0.42 -0.10 -0.10 0.00 0.01 0.00 0.00 55.36 55.59 2ayx s GLN 850 Cb -0.05 -3.73 -0.05 0.00 -1.01 0.00 0.00 33.01 28.17 2ayx s GLN 850 CO 0.27 -0.44 0.14 0.00 0.01 0.00 0.00 175.29 175.26 2ayx s LYS 852 N 0.75 3.37 -0.06 0.00 3.01 -0.08 -4.98 119.74 121.75 2ayx s LYS 852 Ca 0.07 -0.68 -0.19 0.00 -1.01 0.00 0.00 55.97 54.16 2ayx s LYS 852 Cb -0.13 -3.46 -0.05 0.00 -1.01 0.00 0.00 37.83 33.19 2ayx s LYS 852 CO 0.02 -0.36 0.52 0.95 0.51 0.00 0.00 175.35 176.99 2ayx s THR 853 N 1.59 5.07 -0.06 2.17 -4.23 -1.26 -0.64 115.64 118.28 2ayx s THR 853 Ca 0.05 1.07 -0.16 0.00 -1.18 0.00 0.00 61.69 61.46 2ayx s THR 853 Cb -0.17 -3.86 0.03 0.00 1.34 0.00 0.00 72.50 69.85 2ayx s THR 853 CO 0.05 0.38 0.37 0.00 -0.54 0.00 0.00 174.62 174.88 2ayx s ALA 854 N 0.15 -0.94 -0.55 3.99 0.00 -0.89 -4.96 121.76 118.55 2ayx s ALA 854 Ca 0.28 0.65 0.06 0.00 0.00 0.00 0.00 51.96 52.95 2ayx s ALA 854 Cb -0.16 -0.13 0.22 0.00 0.00 0.00 0.00 23.12 23.05 2ayx s ALA 854 CO 0.13 -0.25 0.59 -1.71 0.00 0.00 0.00 175.76 174.52 2ayx n ASN 855 N 1.68 2.09 0.00 0.00 4.05 -1.26 -1.86 115.26 119.95 2ayx n ASN 855 Ca -0.19 -3.06 0.00 0.00 0.45 0.00 0.00 54.58 51.78 2ayx n ASN 855 Cb 0.56 -0.66 0.00 0.00 1.23 0.00 0.00 39.78 40.91 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 177.26 173.54 2ayx n ASP 856 N 1.47 0.00 0.05 1.20 -0.08 -1.26 -4.96 116.55 112.96 2ayx n ASP 856 Ca 0.26 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.45 2ayx n ASP 856 Cb 0.44 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.77 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 0.06 1.86 0.27 0.00 -1.96 -3.22 103.07 100.08 2ayx h GLY 857 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 2ayx h GLY 857 CO 0.00 0.13 -0.68 -0.39 0.00 0.00 0.00 176.54 175.60 2ayx h VAL 858 N 0.01 1.44 -0.37 4.60 -1.51 -1.95 -1.29 116.25 117.19 2ayx h VAL 858 Ca -0.08 -2.21 -0.09 0.00 -1.23 0.00 0.00 66.70 63.09 2ayx h VAL 858 Cb 1.84 2.17 -0.01 0.00 -2.13 0.00 0.00 31.29 33.17 2ayx h VAL 858 CO 0.13 0.64 -0.12 -0.78 -1.23 0.00 0.00 177.57 176.21 2ayx h ASP 859 N 0.10 0.76 -0.38 4.19 3.58 -1.94 -0.16 116.42 122.57 2ayx h ASP 859 Ca -0.01 -0.38 -0.04 0.00 0.42 0.00 0.00 57.03 57.02 2ayx h ASP 859 Cb 1.21 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 42.04 2ayx h ASP 859 CO 0.10 0.96 0.08 0.00 -2.88 0.00 0.00 179.24 177.51 2ayx h ALA 860 N 0.82 0.50 -0.40 -0.78 0.00 -1.54 -2.61 119.26 115.24 2ayx h ALA 860 Ca 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2ayx h ALA 860 Cb 0.65 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2ayx h ALA 860 CO 0.04 0.18 0.21 1.25 0.00 0.00 0.00 179.25 180.93 2ayx h LEU 861 N 0.46 0.49 0.44 0.00 7.12 -1.12 -0.22 115.31 122.47 2ayx h LEU 861 Ca 0.12 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.07 2ayx h LEU 861 Cb 0.32 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.33 2ayx h LEU 861 CO 0.00 0.41 -0.21 -1.13 -0.13 0.00 0.00 178.44 177.38 2ayx h ASN 862 N 0.55 -0.50 0.38 1.25 -1.24 -0.66 -0.18 115.58 115.18 2ayx h ASN 862 Ca 0.14 -0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.00 2ayx h ASN 862 Cb 0.04 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.21 2ayx h ASN 862 CO -0.02 -0.31 -0.59 1.62 -1.29 0.00 0.00 177.43 176.83 2ayx h VAL 863 N -0.65 1.39 -0.38 2.57 3.04 -1.30 -2.30 116.25 118.62 2ayx h VAL 863 Ca -0.06 -1.96 -0.03 0.00 -1.01 0.00 0.00 66.70 63.64 2ayx h VAL 863 Cb 0.48 1.99 -0.02 0.00 -2.01 0.00 0.00 31.29 31.74 2ayx h VAL 863 CO 0.10 0.58 0.14 0.25 -1.01 0.00 0.00 177.57 177.63 2ayx h LEU 864 N 0.16 0.54 -1.17 3.16 7.12 -0.95 -0.99 115.31 123.18 2ayx h LEU 864 Ca -0.00 -0.18 -0.02 0.00 0.13 0.00 0.00 57.88 57.80 2ayx h LEU 864 Cb 1.09 -0.14 -0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2ayx h LEU 864 CO 0.09 0.58 -0.10 0.28 -0.13 0.00 0.00 178.44 179.15 2ayx h SER 865 N 0.48 0.00 0.04 1.25 0.02 -0.92 -3.22 113.55 111.20 2ayx h SER 865 Ca 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2ayx h SER 865 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2ayx h SER 865 CO -0.01 0.10 -0.02 0.50 -1.14 0.00 0.00 176.83 176.27 2ayx h LYS 866 N 0.00 -0.05 0.00 3.45 1.63 -0.94 -3.50 116.57 117.15 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 0.66 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 2ayx h LYS 866 CO 0.01 -0.03 0.00 -1.71 -3.45 0.00 0.00 179.45 174.27 2ayx n ASN 867 N -2.26 0.00 0.00 4.20 4.05 -0.42 -5.11 115.26 115.72 2ayx n ASN 867 Ca -0.01 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.02 2ayx n ASN 867 Cb 0.02 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.03 2ayx n ASN 867 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 177.26 175.62 2ayx n HIS 868 N 0.00 0.00 -0.01 1.20 8.25 -1.26 -4.86 115.22 118.53 2ayx n HIS 868 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2ayx n HIS 868 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2ayx n HIS 868 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2ayx n ILE 869 N -1.75 -0.73 0.12 1.59 -0.00 -1.26 -4.76 119.36 112.58 2ayx n ILE 869 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.79 2ayx n ILE 869 Cb 0.00 -0.73 -0.06 0.00 -0.00 0.00 0.00 39.64 38.85 2ayx n ILE 869 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 2ayx n ASP 870 N -0.34 2.22 -3.78 4.38 2.03 -1.06 -5.00 116.55 115.00 2ayx n ASP 870 Ca 0.00 -0.23 -0.13 0.00 0.52 0.00 0.00 54.79 54.95 2ayx n ASP 870 Cb 0.00 1.24 -0.12 0.00 -0.72 0.00 0.00 41.12 41.52 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2ayx s ILE 871 N -2.27 -0.01 -0.05 5.18 1.01 -1.24 -4.41 121.20 119.42 2ayx s ILE 871 Ca -0.01 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.73 2ayx s ILE 871 Cb 0.05 -0.32 -0.01 0.00 0.01 0.00 0.00 42.46 42.20 2ayx s ILE 871 CO 0.32 0.01 -0.22 -0.69 0.00 0.00 0.00 174.94 174.37 2ayx s VAL 872 N 0.37 1.81 -0.10 2.92 1.01 -1.10 -2.16 120.40 123.16 2ayx s VAL 872 Ca -0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.02 2ayx s VAL 872 Cb -0.04 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2ayx s VAL 872 CO -0.02 0.51 -0.08 -0.76 0.00 0.00 0.00 175.10 174.76 2ayx s LEU 873 N -0.13 3.09 -0.30 3.92 1.43 0.33 -0.52 118.68 126.51 2ayx s LEU 873 Ca -0.02 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 2ayx s LEU 873 Cb -0.12 -1.69 0.08 0.00 0.03 0.00 0.00 46.19 44.48 2ayx s LEU 873 CO 0.03 0.29 -0.02 -0.44 0.23 0.00 0.00 176.35 176.43 2ayx s SER 874 N -0.35 4.56 -0.53 2.29 0.01 -0.02 -0.98 113.70 118.66 2ayx s SER 874 Ca 0.05 -1.76 -0.22 0.00 1.31 0.00 0.00 55.95 55.33 2ayx s SER 874 Cb -0.12 -1.55 0.05 0.00 0.21 0.00 0.00 66.02 64.61 2ayx s SER 874 CO 0.02 -0.29 0.83 -1.81 0.41 0.00 0.00 173.24 172.40 2ayx s ASP 875 N 1.04 6.30 -0.58 2.44 1.11 0.16 -0.89 116.67 126.24 2ayx s ASP 875 Ca 0.01 -0.55 -0.18 0.00 0.18 0.00 0.00 52.55 52.01 2ayx s ASP 875 Cb -0.19 -2.38 0.11 0.00 1.07 0.00 0.00 42.92 41.52 2ayx s ASP 875 CO -0.07 -1.11 0.66 -0.69 1.18 0.00 0.00 175.17 175.14 2ayx s VAL 876 N 3.47 4.91 0.06 -1.27 1.01 -0.32 -1.81 120.40 126.45 2ayx s VAL 876 Ca 0.25 -1.11 -0.17 0.00 0.00 0.00 0.00 61.98 60.95 2ayx s VAL 876 Cb -0.15 -4.46 -0.17 0.00 0.00 0.00 0.00 36.38 31.60 2ayx s VAL 876 CO 0.17 -1.07 1.26 -1.13 0.00 0.00 0.00 175.10 174.32 2ayx h ASN 877 N 9.12 0.67 -3.64 3.32 -1.24 -1.88 0.63 115.58 122.57 2ayx h ASN 877 Ca -0.30 -0.63 -0.69 0.00 0.71 0.00 0.00 56.30 55.40 2ayx h ASN 877 Cb 1.09 -0.20 -0.28 0.00 0.73 0.00 0.00 38.32 39.67 2ayx h ASN 877 CO 1.09 1.19 -0.61 -0.04 -1.29 0.00 0.00 177.43 177.77 2ayx s MET 878 N -3.75 2.81 0.17 6.67 -1.94 -1.26 -4.52 119.30 117.49 2ayx s MET 878 Ca -0.12 -1.05 -0.25 0.00 -1.71 0.00 0.00 55.69 52.56 2ayx s MET 878 Cb 0.06 -3.43 0.05 0.00 2.01 0.00 0.00 34.83 33.52 2ayx s MET 878 CO 0.84 -0.58 1.56 -1.35 -0.01 0.00 0.00 175.02 175.48 2ayx h PRO 879 N 8.23 -0.18 -2.10 2.03 0.11 -1.86 -3.43 132.00 134.81 2ayx h PRO 879 Ca -0.27 0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 2ayx h PRO 879 Cb 1.10 0.04 -0.21 0.00 0.11 0.00 0.00 31.00 32.04 2ayx h PRO 879 CO 0.61 -0.12 0.09 0.54 -0.21 0.00 0.00 178.00 178.91 2ayx s ASN 880 N -5.21 -0.70 0.00 -2.05 2.20 -1.26 -5.01 114.94 102.91 2ayx s ASN 880 Ca -0.14 1.30 0.00 0.00 -0.94 0.00 0.00 52.86 53.08 2ayx s ASN 880 Cb 0.14 1.31 0.00 0.00 -2.00 0.00 0.00 41.25 40.70 2ayx s ASN 880 CO 0.66 -0.27 0.00 0.80 -2.94 0.00 0.00 177.10 175.35 2ayx n MET 881 N 2.55 0.00 -0.01 3.55 1.56 -1.26 -4.99 117.12 118.52 2ayx n MET 881 Ca -0.14 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.28 2ayx n MET 881 Cb 0.55 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.91 2ayx n MET 881 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 2ayx n ASP 882 N -1.08 4.47 -1.46 6.12 5.75 -1.26 -4.69 116.55 124.40 2ayx n ASP 882 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.73 2ayx n ASP 882 Cb 0.00 0.65 0.02 0.00 -1.03 0.00 0.00 41.12 40.76 2ayx n ASP 882 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ayx n GLY 883 N 2.78 2.82 0.11 6.12 0.00 -1.26 -3.84 105.19 111.92 2ayx n GLY 883 Ca -0.03 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.74 2ayx n GLY 883 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 2ayx h TYR 884 N 0.74 0.00 -0.12 1.61 -0.00 -1.95 -3.21 116.97 114.04 2ayx h TYR 884 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 58.73 58.83 2ayx h TYR 884 Cb 1.13 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 37.85 2ayx h TYR 884 CO 0.38 0.24 0.00 -0.09 -0.00 0.00 0.00 178.16 178.69 2ayx h ARG 885 N 0.00 0.17 0.25 0.10 1.12 -1.96 -1.91 114.38 112.15 2ayx h ARG 885 Ca -0.06 -0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.79 2ayx h ARG 885 Cb 1.24 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.15 2ayx h ARG 885 CO 0.02 0.19 -0.21 1.25 -3.11 0.00 0.00 179.97 178.11 2ayx h LEU 886 N 0.17 -0.55 -0.81 3.80 5.85 -1.86 0.51 115.31 122.43 2ayx h LEU 886 Ca 0.04 0.05 -0.10 0.00 0.84 0.00 0.00 57.88 58.70 2ayx h LEU 886 Cb 0.12 0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2ayx h LEU 886 CO 0.00 -0.32 -0.23 0.71 -0.34 0.00 0.00 178.44 178.26 2ayx h THR 887 N -0.48 1.27 0.05 1.05 1.35 -1.67 -2.66 112.91 111.81 2ayx h THR 887 Ca -0.01 -1.30 -0.00 0.00 -0.55 0.00 0.00 66.41 64.55 2ayx h THR 887 Cb 0.43 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 2ayx h THR 887 CO -0.02 0.42 -0.02 1.56 -0.25 0.00 0.00 175.52 177.21 2ayx h GLN 888 N 0.57 -0.06 -0.51 4.72 1.08 -1.09 -0.36 115.11 119.45 2ayx h GLN 888 Ca 0.08 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2ayx h GLN 888 Cb 0.70 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 2ayx h GLN 888 CO 0.05 0.01 0.32 0.00 -0.95 0.00 0.00 178.83 178.26 2ayx h ARG 889 N -0.12 0.69 -0.15 1.46 2.47 -0.81 -0.08 114.38 117.85 2ayx h ARG 889 Ca -0.01 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.60 2ayx h ARG 889 Cb 0.10 -0.15 -0.00 0.00 -1.65 0.00 0.00 29.97 28.27 2ayx h ARG 889 CO 0.01 0.49 -0.11 0.82 0.56 0.00 0.00 179.97 181.73 2ayx h ILE 890 N 0.69 1.33 0.00 2.04 2.04 -1.40 -1.95 117.51 120.26 2ayx h ILE 890 Ca 0.19 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 2ayx h ILE 890 Cb -0.03 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 2ayx h ILE 890 CO -0.04 0.36 -0.14 0.08 0.00 0.00 0.00 178.15 178.41 2ayx h ARG 891 N -0.01 0.00 0.40 2.37 0.11 -0.93 0.34 114.38 116.66 2ayx h ARG 891 Ca 0.03 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.09 2ayx h ARG 891 Cb 0.62 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.70 2ayx h ARG 891 CO 0.03 0.14 -0.19 0.37 0.10 0.00 0.00 179.97 180.42 2ayx h GLN 892 N 0.00 -0.52 -0.13 0.08 5.75 -0.81 -3.45 115.11 116.04 2ayx h GLN 892 Ca -0.00 0.04 -0.23 0.00 -0.15 0.00 0.00 58.65 58.30 2ayx h GLN 892 Cb 0.45 0.12 -0.18 0.00 1.07 0.00 0.00 27.48 28.94 2ayx h GLN 892 CO 0.02 -0.35 -0.45 1.28 -2.65 0.00 0.00 178.83 176.68 2ayx n LEU 893 N -5.04 -1.37 0.00 -2.39 4.77 -0.75 -4.90 117.00 107.32 2ayx n LEU 893 Ca -0.07 -3.44 0.00 0.00 -0.03 0.00 0.00 56.01 52.47 2ayx n LEU 893 Cb 0.21 0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2ayx n LEU 893 CO 0.16 1.81 0.00 0.61 -1.33 0.00 0.00 177.39 178.64 2ayx n GLY 894 N -0.68 0.98 3.30 -0.72 0.00 0.94 -4.91 105.19 104.09 2ayx n GLY 894 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 2ayx n GLY 894 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ayx s LEU 895 N 0.00 4.32 -0.04 0.99 2.96 0.31 -4.86 118.68 122.37 2ayx s LEU 895 Ca 0.00 -1.05 0.09 0.00 -0.22 0.00 0.00 54.13 52.96 2ayx s LEU 895 Cb 0.00 -1.90 0.17 0.00 0.50 0.00 0.00 46.19 44.96 2ayx s LEU 895 CO 0.00 -0.32 1.08 0.35 -1.32 0.00 0.00 176.35 176.14 2ayx n THR 896 N 4.85 0.54 -3.63 3.68 -2.24 -1.26 -5.01 114.28 111.21 2ayx n THR 896 Ca -0.13 -0.88 -0.10 0.00 -2.27 0.00 0.00 64.05 60.68 2ayx n THR 896 Cb 0.45 0.39 -0.02 0.00 -2.10 0.00 0.00 70.33 69.05 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2ayx s LEU 897 N -0.81 -0.38 0.11 3.22 0.05 -1.26 -5.10 118.68 114.51 2ayx s LEU 897 Ca 0.16 -0.29 -0.31 0.00 0.05 0.00 0.00 54.13 53.73 2ayx s LEU 897 Cb 0.16 2.60 -0.08 0.00 -2.05 0.00 0.00 46.19 46.81 2ayx s LEU 897 CO -0.03 -1.13 1.49 -2.16 -0.55 0.00 0.00 176.35 173.97 2ayx s PRO 898 N -3.83 4.26 -0.14 1.48 0.04 -1.26 -4.91 135.00 130.65 2ayx s PRO 898 Ca 0.06 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.30 2ayx s PRO 898 Cb -0.03 -3.30 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 2ayx s PRO 898 CO -0.04 -0.55 -0.15 0.08 0.04 0.00 0.00 177.00 176.38 2ayx s VAL 899 N 1.48 2.79 -0.22 -0.36 1.01 -1.04 -2.69 120.40 121.36 2ayx s VAL 899 Ca 0.68 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.86 2ayx s VAL 899 Cb -0.39 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 2ayx s VAL 899 CO 0.30 0.52 0.01 -0.63 0.00 0.00 0.00 175.10 175.31 2ayx s ILE 900 N 0.52 3.94 -0.20 2.22 1.01 0.32 -1.30 121.20 127.71 2ayx s ILE 900 Ca -0.10 -0.31 -0.14 0.00 0.00 0.00 0.00 60.65 60.10 2ayx s ILE 900 Cb -0.16 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2ayx s ILE 900 CO 0.04 0.40 0.30 -0.83 0.00 0.00 0.00 174.94 174.85 2ayx s GLY 901 N 1.33 2.10 -0.56 6.18 0.00 0.02 -0.84 107.32 115.55 2ayx s GLY 901 Ca 0.04 -0.58 -0.11 0.00 0.00 0.00 0.00 44.72 44.07 2ayx s GLY 901 CO 0.01 0.58 0.46 0.14 0.00 0.00 0.00 173.10 174.29 2ayx s VAL 902 N 0.95 4.63 -0.01 1.40 1.01 -0.07 -0.66 120.40 127.65 2ayx s VAL 902 Ca 0.15 -1.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.01 2ayx s VAL 902 Cb -0.14 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 2ayx s VAL 902 CO 0.06 -0.85 0.54 0.42 0.00 0.00 0.00 175.10 175.26 2ayx s THR 903 N 1.10 4.95 -0.35 3.92 -4.23 -0.32 -1.17 115.64 119.54 2ayx s THR 903 Ca 0.08 1.11 -0.16 0.00 -1.18 0.00 0.00 61.69 61.55 2ayx s THR 903 Cb -0.24 -3.87 -0.01 0.00 1.34 0.00 0.00 72.50 69.72 2ayx s THR 903 CO -0.01 0.46 0.40 0.00 -0.54 0.00 0.00 174.62 174.92 2ayx s ALA 904 N -0.38 3.49 -1.22 3.99 0.00 0.21 -0.50 121.76 127.35 2ayx s ALA 904 Ca 0.28 -1.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.04 2ayx s ALA 904 Cb -0.18 -2.87 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2ayx s ALA 904 CO 0.16 -1.12 1.04 -1.71 0.00 0.00 0.00 175.76 174.13 2ayx n ASN 905 N 5.47 -3.88 -4.33 0.00 2.85 -1.26 -4.76 115.26 109.35 2ayx n ASN 905 Ca -0.08 -0.56 -0.46 0.00 -0.11 0.00 0.00 54.58 53.37 2ayx n ASN 905 Cb 0.49 -4.91 -0.05 0.00 1.24 0.00 0.00 39.78 36.56 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayx s ALA 906 N -3.33 3.62 0.28 5.20 0.00 -1.26 -4.93 121.76 121.34 2ayx s ALA 906 Ca 0.25 -2.53 0.01 0.00 0.00 0.00 0.00 51.96 49.68 2ayx s ALA 906 Cb -0.11 -3.38 0.67 0.00 0.00 0.00 0.00 23.12 20.30 2ayx s ALA 906 CO 0.70 -2.16 1.64 1.25 0.00 0.00 0.00 175.76 177.19 2ayx h LEU 907 N 9.13 -0.09 -6.77 0.00 5.85 -1.98 -3.11 115.31 118.33 2ayx h LEU 907 Ca -0.25 0.20 -0.61 0.00 0.84 0.00 0.00 57.88 58.06 2ayx h LEU 907 Cb 1.09 0.29 -0.41 0.00 0.37 0.00 0.00 40.66 42.01 2ayx h LEU 907 CO 1.03 -0.18 -0.71 0.00 -0.34 0.00 0.00 178.44 178.25 2ayx n ALA 908 N -2.77 3.28 -0.27 1.25 0.00 -1.26 -4.94 120.51 115.80 2ayx n ALA 908 Ca 0.20 -4.11 -0.06 0.00 0.00 0.00 0.00 53.44 49.48 2ayx n ALA 908 Cb 0.66 -0.93 0.06 0.00 0.00 0.00 0.00 19.45 19.23 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 5.31 1.07 -0.08 0.00 5.08 -1.97 -2.15 114.58 121.85 2ayx h GLU 909 Ca 0.19 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 2ayx h GLU 909 Cb 0.79 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2ayx h GLU 909 CO 0.62 0.83 -0.16 1.05 -1.00 0.00 0.00 179.01 180.36 2ayx h GLU 910 N 1.04 0.12 -0.37 2.33 4.11 -1.92 -1.78 114.58 118.11 2ayx h GLU 910 Ca 0.26 -0.03 -0.12 0.00 0.07 0.00 0.00 59.36 59.54 2ayx h GLU 910 Cb 0.11 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2ayx h GLU 910 CO -0.03 0.28 -0.24 -0.22 0.07 0.00 0.00 179.01 178.87 2ayx h LYS 911 N 0.11 0.82 -0.51 1.06 3.64 -1.81 -2.33 116.57 117.55 2ayx h LYS 911 Ca 0.02 -0.39 -0.04 0.00 -1.27 0.00 0.00 60.65 58.98 2ayx h LYS 911 Cb 0.35 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2ayx h LYS 911 CO 0.02 1.02 0.15 0.37 -2.27 0.00 0.00 179.45 178.74 2ayx h GLN 912 N 0.62 0.75 -0.35 1.90 5.75 -1.08 -1.50 115.11 121.19 2ayx h GLN 912 Ca 0.08 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.46 2ayx h GLN 912 Cb 0.81 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.21 2ayx h GLN 912 CO 0.07 0.66 0.19 -0.09 -2.65 0.00 0.00 178.83 177.01 2ayx h ARG 913 N 0.74 0.38 0.00 1.69 2.43 -1.04 -2.10 114.38 116.48 2ayx h ARG 913 Ca 0.17 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.22 2ayx h ARG 913 Cb 0.23 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2ayx h ARG 913 CO -0.01 0.25 -0.46 0.00 -1.51 0.00 0.00 179.97 178.25 2ayx h LEU 915 N 0.00 -0.10 0.12 0.00 5.85 -1.00 -3.34 115.31 116.84 2ayx h LEU 915 Ca -0.00 -0.41 -0.23 0.00 0.84 0.00 0.00 57.88 58.07 2ayx h LEU 915 Cb 1.10 0.03 0.02 0.00 0.37 0.00 0.00 40.66 42.18 2ayx h LEU 915 CO 0.06 0.39 -0.99 -0.33 -0.34 0.00 0.00 178.44 177.22 2ayx h GLU 916 N -0.62 0.45 -6.32 1.25 4.39 -1.42 -3.48 114.58 108.83 2ayx h GLU 916 Ca -0.01 -0.65 -0.47 0.00 0.34 0.00 0.00 59.36 58.57 2ayx h GLU 916 Cb 0.50 0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 29.36 2ayx h GLU 916 CO 0.02 1.29 -0.84 0.43 -1.16 0.00 0.00 179.01 178.74 2ayx n SER 917 N -3.99 -1.52 -0.72 1.42 7.64 0.19 -4.89 113.62 111.74 2ayx n SER 917 Ca -0.14 -0.90 0.04 0.00 1.01 0.00 0.00 58.87 58.89 2ayx n SER 917 Cb 0.88 -3.55 0.07 0.00 -1.01 0.00 0.00 64.21 60.59 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 -1.74 2.21 0.00 0.23 0.00 -1.26 -4.91 105.19 99.72 2ayx n GLY 918 Ca -0.23 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2ayx n GLY 918 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2ayx n MET 919 N -0.31 0.00 0.00 1.61 2.81 -1.26 -4.65 117.12 115.32 2ayx n MET 919 Ca 0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2ayx n MET 919 Cb 0.82 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.33 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 -4.14 7.83 -0.08 -0.42 -2.51 116.55 117.23 2ayx n ASP 920 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 2ayx n ASP 920 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 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 0.00 0.51 0.07 1.67 0.01 -1.05 -5.01 113.70 109.90 2ayx s SER 921 Ca 0.00 -1.12 0.01 0.00 1.31 0.00 0.00 55.95 56.15 2ayx s SER 921 Cb 0.00 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.43 2ayx s SER 921 CO 0.00 -0.65 -0.05 0.00 0.41 0.00 0.00 173.24 172.95 2ayx s LEU 923 N -2.73 0.80 0.30 0.00 2.34 0.16 -4.91 118.68 114.64 2ayx s LEU 923 Ca 0.06 -1.05 -0.27 0.00 0.06 0.00 0.00 54.13 52.93 2ayx s LEU 923 Cb 0.04 1.15 -0.09 0.00 -0.56 0.00 0.00 46.19 46.72 2ayx s LEU 923 CO -0.06 -0.97 0.98 -0.44 -1.06 0.00 0.00 176.35 174.81 2ayx s SER 924 N -3.04 7.33 0.29 1.48 0.01 -1.26 -1.17 113.70 117.32 2ayx s SER 924 Ca 0.25 1.97 0.02 0.00 1.31 0.00 0.00 55.95 59.50 2ayx s SER 924 Cb 0.03 -2.60 0.57 0.00 0.21 0.00 0.00 66.02 64.24 2ayx s SER 924 CO 0.07 -0.08 1.83 0.11 0.41 0.00 0.00 173.24 175.58 2ayx h LYS 925 N 3.44 0.95 -5.00 12.44 1.57 -1.03 -3.29 116.57 125.65 2ayx h LYS 925 Ca -0.46 -0.06 -0.39 0.00 -1.87 0.00 0.00 60.65 57.87 2ayx h LYS 925 Cb 1.20 -0.21 0.07 0.00 0.08 0.00 0.00 32.23 33.37 2ayx h LYS 925 CO 0.66 0.63 1.02 -2.30 -0.57 0.00 0.00 179.45 178.89 2ayx n PRO 926 N -4.63 0.35 -3.79 3.15 -0.02 -1.26 -4.90 135.00 123.89 2ayx n PRO 926 Ca 0.19 -1.45 -0.37 0.00 -2.02 0.00 0.00 63.50 59.85 2ayx n PRO 926 Cb 0.37 -3.12 -0.06 0.00 -0.02 0.00 0.00 33.50 30.67 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 10.46 5.40 0.30 -1.45 0.11 -1.24 -5.10 120.40 128.87 2ayx s VAL 927 Ca 0.72 0.34 0.06 0.00 -2.93 0.00 0.00 61.98 60.17 2ayx s VAL 927 Cb 0.07 -3.47 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 2ayx s VAL 927 CO 0.25 0.60 0.43 -0.89 -3.33 0.00 0.00 175.10 172.17 2ayx s THR 928 N -1.05 4.48 0.18 5.04 2.01 -1.26 -4.96 115.64 120.08 2ayx s THR 928 Ca 0.17 -1.00 -0.13 0.00 0.31 0.00 0.00 61.69 61.04 2ayx s THR 928 Cb -0.13 -3.56 0.07 0.00 0.01 0.00 0.00 72.50 68.89 2ayx s THR 928 CO 0.06 -0.22 1.77 0.25 -0.69 0.00 0.00 174.62 175.79 2ayx h LEU 929 N 0.99 0.26 -0.93 4.42 6.46 -1.99 -0.78 115.31 123.74 2ayx h LEU 929 Ca -0.48 0.04 -0.10 0.00 -0.12 0.00 0.00 57.88 57.22 2ayx h LEU 929 Cb 1.25 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 2ayx h LEU 929 CO 0.56 0.18 -0.28 -0.78 -0.62 0.00 0.00 178.44 177.50 2ayx h ASP 930 N 0.40 0.46 -0.05 1.25 3.58 -1.98 -1.22 116.42 118.86 2ayx h ASP 930 Ca 0.22 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.49 2ayx h ASP 930 Cb 0.18 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.10 2ayx h ASP 930 CO -0.19 0.73 -0.05 0.58 -2.88 0.00 0.00 179.24 177.43 2ayx h VAL 931 N 0.40 1.37 -0.40 2.25 2.07 -1.77 -0.24 116.25 119.93 2ayx h VAL 931 Ca 0.06 -1.18 -0.11 0.00 0.82 0.00 0.00 66.70 66.29 2ayx h VAL 931 Cb 0.69 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 2ayx h VAL 931 CO 0.05 0.32 -0.18 -0.29 0.02 0.00 0.00 177.57 177.49 2ayx h ILE 932 N -0.33 1.27 -0.21 4.57 6.09 -1.13 -0.88 117.51 126.88 2ayx h ILE 932 Ca 0.01 -1.27 -0.00 0.00 -1.37 0.00 0.00 64.86 62.22 2ayx h ILE 932 Cb 0.54 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.97 2ayx h ILE 932 CO 0.01 0.43 0.11 0.50 -3.07 0.00 0.00 178.15 176.13 2ayx h LYS 933 N 0.68 0.30 0.11 2.19 3.11 -1.21 -0.42 116.57 121.33 2ayx h LYS 933 Ca 0.10 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.90 2ayx h LYS 933 Cb 0.68 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.85 2ayx h LYS 933 CO 0.05 0.29 -0.05 0.37 -2.81 0.00 0.00 179.45 177.30 2ayx h GLN 934 N 0.23 -0.14 -0.21 1.90 5.75 -0.80 -0.18 115.11 121.66 2ayx h GLN 934 Ca 0.07 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2ayx h GLN 934 Cb 0.08 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 2ayx h GLN 934 CO -0.01 -0.07 0.11 1.15 -2.65 0.00 0.00 178.83 177.36 2ayx h THR 935 N -0.17 1.12 -0.11 2.39 2.02 -1.09 -0.15 112.91 116.91 2ayx h THR 935 Ca -0.01 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.81 2ayx h THR 935 Cb 0.13 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 2ayx h THR 935 CO 0.02 0.12 -0.04 0.25 0.37 0.00 0.00 175.52 176.24 2ayx h LEU 936 N 0.23 0.23 -0.55 2.58 5.85 -1.01 -1.99 115.31 120.64 2ayx h LEU 936 Ca 0.07 -0.38 -0.13 0.00 0.84 0.00 0.00 57.88 58.28 2ayx h LEU 936 Cb 0.09 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2ayx h LEU 936 CO -0.01 0.56 -0.19 0.74 -0.34 0.00 0.00 178.44 179.20 2ayx h THR 937 N -0.11 1.27 -0.49 1.05 2.02 -1.02 0.38 112.91 116.01 2ayx h THR 937 Ca 0.03 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.84 2ayx h THR 937 Cb 0.46 1.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 2ayx h THR 937 CO 0.01 0.47 0.24 0.25 0.37 0.00 0.00 175.52 176.86 2ayx h LEU 938 N 0.84 0.64 -0.69 2.58 6.46 -1.01 -0.96 115.31 123.18 2ayx h LEU 938 Ca 0.12 -0.13 -0.14 0.00 -0.12 0.00 0.00 57.88 57.61 2ayx h LEU 938 Cb 0.76 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 2ayx h LEU 938 CO 0.06 0.59 -0.64 1.88 -0.62 0.00 0.00 178.44 179.70 2ayx h TYR 939 N 0.65 0.07 -0.43 1.25 -1.99 -1.24 -0.77 116.97 114.51 2ayx h TYR 939 Ca 0.17 -0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.81 2ayx h TYR 939 Cb 0.12 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 2ayx h TYR 939 CO -0.01 0.68 0.04 0.00 -0.00 0.00 0.00 178.16 178.87 2ayx h ALA 940 N 1.31 1.26 0.04 3.88 0.00 -0.51 -0.01 119.26 125.23 2ayx h ALA 940 Ca -0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 2ayx h ALA 940 Cb 1.15 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2ayx h ALA 940 CO 0.09 0.50 -1.02 1.05 0.00 0.00 0.00 179.25 179.87 2ayx h GLU 941 N 0.65 0.11 -0.20 0.00 4.11 -0.90 -2.11 114.58 116.23 2ayx h GLU 941 Ca 0.14 -0.17 -0.03 0.00 0.07 0.00 0.00 59.36 59.37 2ayx h GLU 941 Cb 0.35 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2ayx h GLU 941 CO 0.01 1.03 0.02 0.07 0.07 0.00 0.00 179.01 180.21 2ayx h ARG 942 N 0.04 0.35 0.00 1.06 -0.00 -0.73 -2.35 114.38 112.75 2ayx h ARG 942 Ca -0.05 -0.10 -0.08 0.00 -0.00 0.00 0.00 59.98 59.75 2ayx h ARG 942 Cb 1.74 -0.04 -0.01 0.00 -0.00 0.00 0.00 29.97 31.66 2ayx h ARG 942 CO 0.15 0.52 -0.40 -0.39 -0.00 0.00 0.00 179.97 179.85 2ayx h VAL 943 N 0.13 1.11 -0.63 0.08 -1.51 -1.07 -2.34 116.25 112.02 2ayx h VAL 943 Ca 0.06 -1.45 0.04 0.00 -1.23 0.00 0.00 66.70 64.12 2ayx h VAL 943 Cb 0.35 1.82 -0.05 0.00 -2.13 0.00 0.00 31.29 31.28 2ayx h VAL 943 CO 0.01 0.39 0.37 -0.09 -1.23 0.00 0.00 177.57 177.01 2ayx h ARG 944 N 0.00 0.68 -0.36 5.19 1.12 -1.08 0.94 114.38 120.87 2ayx h ARG 944 Ca -0.00 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.79 2ayx h ARG 944 Cb 0.79 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.58 2ayx h ARG 944 CO 0.05 0.45 0.09 0.87 -3.11 0.00 0.00 179.97 178.33 2ayx h LYS 945 N 0.70 0.57 -0.26 0.20 1.57 -0.89 0.27 116.57 118.74 2ayx h LYS 945 Ca 0.27 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2ayx h LYS 945 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2ayx h LYS 945 CO -0.14 0.61 -0.35 0.66 -0.57 0.00 0.00 179.45 179.66 2ayx h SER 946 N 0.43 0.58 0.02 0.86 4.64 -1.27 -3.24 113.55 115.56 2ayx h SER 946 Ca 0.11 -0.24 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2ayx h SER 946 Cb 0.29 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2ayx h SER 946 CO -0.00 0.88 -0.01 0.03 -0.87 0.00 0.00 176.83 176.86 2ayx h ARG 947 N 0.47 -0.02 -2.65 4.77 3.08 -0.67 -3.45 114.38 115.91 2ayx h ARG 947 Ca 0.05 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 2ayx h ARG 947 Cb 0.82 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 30.59 2ayx h ARG 947 CO 0.07 0.55 -0.41 0.34 -1.07 0.00 0.00 179.97 179.45 2ayx s ASP 948 N -5.76 -0.12 0.00 7.04 -1.08 0.07 -5.09 116.67 111.74 2ayx s ASP 948 Ca -0.16 0.85 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 2ayx s ASP 948 Cb 0.01 1.06 0.00 0.00 -1.46 0.00 0.00 42.92 42.53 2ayx s ASP 948 CO 0.66 -0.23 0.22 -1.20 0.52 0.00 0.00 175.17 175.15