#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 1.59 2.80 -5.12 0.00 -1.26 -5.12 105.19 98.08 2ayx n GLY 697 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 0.22 -0.23 -0.02 0.00 -1.26 -5.12 107.32 98.91 2ayx s GLY 698 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 44.87 2ayx s GLY 698 CO 0.00 0.67 0.16 -0.56 0.00 0.00 0.00 173.10 173.36 2ayx s SER 699 N 1.11 2.39 -1.47 1.64 0.01 -1.26 -5.06 113.70 111.06 2ayx s SER 699 Ca -0.09 -0.74 -0.13 0.00 1.31 0.00 0.00 55.95 56.31 2ayx s SER 699 Cb -0.13 -0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.09 2ayx s SER 699 CO -0.02 -0.38 2.32 0.61 0.41 0.00 0.00 173.24 176.18 2ayx n GLY 700 N 5.28 4.44 3.48 3.44 0.00 -1.26 -4.87 105.19 115.70 2ayx n GLY 700 Ca -0.06 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.90 2ayx n GLY 700 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ayx s VAL 701 N 2.74 4.64 -0.05 1.61 1.01 -1.26 -4.98 120.40 124.11 2ayx s VAL 701 Ca 0.50 -1.70 0.05 0.00 0.00 0.00 0.00 61.98 60.83 2ayx s VAL 701 Cb 0.14 -4.87 -0.00 0.00 0.00 0.00 0.00 36.38 31.65 2ayx s VAL 701 CO -0.08 -1.62 -0.20 -1.83 0.00 0.00 0.00 175.10 171.38 2ayx s GLU 702 N 2.87 2.07 0.00 2.72 -1.05 -1.26 -4.84 118.70 119.21 2ayx s GLU 702 Ca 0.38 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 2ayx s GLU 702 Cb -0.03 -1.76 0.00 0.00 -0.44 0.00 0.00 34.13 31.90 2ayx s GLU 702 CO -0.07 0.27 0.00 0.41 0.95 0.00 0.00 175.26 176.82 2ayx n GLY 703 N 3.15 3.47 0.00 -3.83 0.00 -1.26 -5.09 105.19 101.62 2ayx n GLY 703 Ca -0.18 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 -3.17 0.99 4.77 -1.26 -4.99 117.00 113.34 2ayx n LEU 704 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2ayx n LEU 704 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2ayx n LEU 704 CO 0.00 0.00 0.14 -1.20 -1.33 0.00 0.00 177.39 175.00 2ayx n SER 705 N 0.00 -7.17 0.00 -1.43 7.64 -1.14 -4.81 113.62 106.71 2ayx n SER 705 Ca 0.00 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 2ayx n SER 705 Cb 0.00 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 58.75 2ayx n SER 705 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 706 N -1.32 0.09 3.74 0.23 0.00 -1.09 -5.04 105.19 101.80 2ayx n GLY 706 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2ayx n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayx s LYS 707 N 0.00 4.58 0.15 1.61 3.01 -1.26 -4.85 119.74 122.98 2ayx s LYS 707 Ca 0.00 1.74 0.03 0.00 -1.01 0.00 0.00 55.97 56.72 2ayx s LYS 707 Cb 0.00 -3.27 -0.03 0.00 -1.01 0.00 0.00 37.83 33.51 2ayx s LYS 707 CO 0.00 0.05 0.28 0.50 0.51 0.00 0.00 175.35 176.70 2ayx s ARG 708 N -0.36 3.42 -0.04 1.68 3.00 -1.26 -1.14 118.95 124.24 2ayx s ARG 708 Ca 0.50 -0.62 0.00 0.00 -1.00 0.00 0.00 55.73 54.61 2ayx s ARG 708 Cb -0.30 -2.95 0.03 0.00 0.00 0.00 0.00 34.95 31.73 2ayx s ARG 708 CO 0.35 0.52 -0.01 0.00 0.00 0.00 0.00 175.30 176.16 2ayx s TRP 710 N 1.25 3.11 -0.15 0.00 0.52 -0.10 -0.75 118.94 122.82 2ayx s TRP 710 Ca -0.06 -0.68 0.02 0.00 0.02 0.00 0.00 56.10 55.39 2ayx s TRP 710 Cb -0.13 -2.25 0.01 0.00 -1.15 0.00 0.00 33.47 29.95 2ayx s TRP 710 CO -0.02 -0.47 -0.21 -0.48 0.02 0.00 0.00 176.95 175.79 2ayx s LEU 711 N 1.56 2.10 -0.62 2.99 2.34 -0.57 -0.44 118.68 126.04 2ayx s LEU 711 Ca 0.05 -0.61 0.06 0.00 0.06 0.00 0.00 54.13 53.68 2ayx s LEU 711 Cb -0.16 -1.44 0.26 0.00 -0.56 0.00 0.00 46.19 44.29 2ayx s LEU 711 CO 0.03 0.04 0.76 0.00 -1.06 0.00 0.00 176.35 176.12 2ayx n ALA 712 N 4.30 4.03 -3.33 1.48 0.00 0.36 -0.91 120.51 126.45 2ayx n ALA 712 Ca -0.20 -4.69 -0.33 0.00 0.00 0.00 0.00 53.44 48.23 2ayx n ALA 712 Cb 0.51 -0.88 -0.16 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.62 2.42 0.17 0.00 1.01 -1.26 -2.52 120.40 117.60 2ayx s VAL 713 Ca 0.41 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 2ayx s VAL 713 Cb 0.17 -1.98 -0.11 0.00 0.00 0.00 0.00 36.38 34.46 2ayx s VAL 713 CO -0.03 0.54 1.42 0.03 0.00 0.00 0.00 175.10 177.06 2ayx h ARG 714 N 6.96 0.44 -6.16 2.72 3.08 -1.97 -3.43 114.38 116.03 2ayx h ARG 714 Ca -0.26 -0.36 -0.57 0.00 0.07 0.00 0.00 59.98 58.85 2ayx h ARG 714 Cb 1.21 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 2ayx h ARG 714 CO 0.53 1.00 1.34 1.21 -1.07 0.00 0.00 179.97 182.98 2ayx s ASN 715 N -6.99 5.86 0.22 7.04 3.84 -1.26 -4.87 114.94 118.79 2ayx s ASN 715 Ca -0.06 1.86 -0.05 0.00 0.21 0.00 0.00 52.86 54.82 2ayx s ASN 715 Cb 0.10 -2.52 0.19 0.00 -0.55 0.00 0.00 41.25 38.47 2ayx s ASN 715 CO 0.85 -1.64 1.66 0.00 -2.79 0.00 0.00 177.10 175.18 2ayx h ALA 716 N 13.15 0.92 -0.42 1.71 0.00 -1.99 0.55 119.26 133.17 2ayx h ALA 716 Ca -0.40 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.06 2ayx h ALA 716 Cb 1.21 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2ayx h ALA 716 CO 0.98 0.63 -0.21 0.77 0.00 0.00 0.00 179.25 181.41 2ayx h SER 717 N 0.78 0.86 0.01 0.00 0.02 -1.97 0.43 113.55 113.68 2ayx h SER 717 Ca 0.13 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2ayx h SER 717 Cb 0.62 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2ayx h SER 717 CO 0.04 1.05 -0.01 0.25 -1.14 0.00 0.00 176.83 177.02 2ayx h LEU 718 N 0.74 -0.02 -0.65 5.07 6.46 -1.73 -0.88 115.31 124.30 2ayx h LEU 718 Ca 0.10 -0.39 -0.11 0.00 -0.12 0.00 0.00 57.88 57.36 2ayx h LEU 718 Cb 0.74 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.66 2ayx h LEU 718 CO 0.06 0.38 -0.16 0.00 -0.62 0.00 0.00 178.44 178.10 2ayx h GLN 720 N 0.78 1.07 0.32 0.00 4.20 -0.92 -1.09 115.11 119.48 2ayx h GLN 720 Ca 0.12 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 2ayx h GLN 720 Cb 0.69 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2ayx h GLN 720 CO 0.05 0.92 -0.28 0.35 -0.67 0.00 0.00 178.83 179.21 2ayx h PHE 721 N 1.03 -0.74 -0.13 2.96 3.04 -0.80 -0.38 116.94 121.93 2ayx h PHE 721 Ca 0.22 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.17 2ayx h PHE 721 Cb 0.31 0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 2ayx h PHE 721 CO 0.02 -0.41 0.04 -0.07 -2.02 0.00 0.00 178.31 175.88 2ayx h LEU 722 N -0.61 0.18 -0.65 0.59 3.38 -1.45 -2.23 115.31 114.53 2ayx h LEU 722 Ca -0.02 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2ayx h LEU 722 Cb 0.55 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2ayx h LEU 722 CO -0.03 0.33 0.41 1.05 0.09 0.00 0.00 178.44 180.29 2ayx h GLU 723 N 0.03 0.87 -0.22 1.13 4.11 -1.08 -0.00 114.58 119.41 2ayx h GLU 723 Ca 0.04 -0.06 -0.19 0.00 0.07 0.00 0.00 59.36 59.22 2ayx h GLU 723 Cb 0.21 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2ayx h GLU 723 CO -0.00 0.59 -0.60 1.15 0.07 0.00 0.00 179.01 180.22 2ayx h THR 724 N 0.88 1.29 -0.28 -1.06 2.02 -1.07 -0.79 112.91 113.90 2ayx h THR 724 Ca 0.24 -1.82 -0.13 0.00 0.77 0.00 0.00 66.41 65.47 2ayx h THR 724 Cb -0.07 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 2ayx h THR 724 CO -0.05 0.58 -0.36 0.28 0.37 0.00 0.00 175.52 176.34 2ayx h SER 725 N 0.56 0.66 0.17 4.18 0.02 -1.04 -3.06 113.55 115.04 2ayx h SER 725 Ca -0.00 -0.28 -0.26 0.00 -0.84 0.00 0.00 61.79 60.41 2ayx h SER 725 Cb 1.20 -0.18 0.02 0.00 0.14 0.00 0.00 62.40 63.57 2ayx h SER 725 CO 0.12 0.96 -1.21 -0.07 -1.14 0.00 0.00 176.83 175.49 2ayx h LEU 726 N 0.53 0.55 -1.78 5.07 3.38 -0.96 -3.34 115.31 118.76 2ayx h LEU 726 Ca 0.05 -0.92 -0.02 0.00 0.09 0.00 0.00 57.88 57.08 2ayx h LEU 726 Cb 0.86 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2ayx h LEU 726 CO 0.07 1.56 -0.12 0.06 0.09 0.00 0.00 178.44 180.11 2ayx h GLN 727 N -0.19 0.00 0.00 1.13 3.07 -1.19 -0.13 115.11 117.80 2ayx h GLN 727 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.51 2ayx h GLN 727 Cb 1.84 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.40 2ayx h GLN 727 CO 0.16 0.12 0.00 0.07 0.09 0.00 0.00 178.83 179.27 2ayx h ARG 728 N 0.00 0.00 -0.02 0.06 0.11 -1.65 -2.33 114.38 110.55 2ayx h ARG 728 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2ayx h ARG 728 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 2ayx h ARG 728 CO 0.02 0.00 -0.18 0.43 0.10 0.00 0.00 179.97 180.34 2ayx n SER 729 N -2.74 2.55 0.00 0.08 7.64 -0.12 -4.93 113.62 116.10 2ayx n SER 729 Ca 0.01 -1.78 0.00 0.00 1.01 0.00 0.00 58.87 58.11 2ayx n SER 729 Cb 0.26 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 2ayx n SER 729 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 730 N 1.37 1.01 3.71 0.23 0.00 -0.88 -4.38 105.19 106.26 2ayx n GLY 730 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 2ayx n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 731 N -2.00 5.14 -0.84 -0.61 -1.09 -0.87 -2.68 121.20 118.26 2ayx s ILE 731 Ca 0.00 1.07 -0.22 0.00 -2.23 0.00 0.00 60.65 59.27 2ayx s ILE 731 Cb 0.00 -3.87 0.08 0.00 -1.58 0.00 0.00 42.46 37.09 2ayx s ILE 731 CO 0.00 0.28 1.17 0.68 -1.23 0.00 0.00 174.94 175.84 2ayx s VAL 732 N 0.83 4.30 -0.18 2.92 -7.23 -0.29 -3.55 120.40 117.20 2ayx s VAL 732 Ca 0.28 -0.77 -0.26 0.00 -1.81 0.00 0.00 61.98 59.42 2ayx s VAL 732 Cb -0.16 -4.83 -0.01 0.00 0.56 0.00 0.00 36.38 31.94 2ayx s VAL 732 CO 0.12 -1.63 0.89 0.68 -0.31 0.00 0.00 175.10 174.84 2ayx s VAL 733 N 4.00 4.83 0.05 1.32 -7.23 -1.26 -1.80 120.40 120.31 2ayx s VAL 733 Ca 0.33 1.74 0.05 0.00 -1.81 0.00 0.00 61.98 62.28 2ayx s VAL 733 Cb -0.08 -4.18 -0.03 0.00 0.56 0.00 0.00 36.38 32.65 2ayx s VAL 733 CO -0.01 -0.02 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.73 2ayx s THR 734 N 2.39 1.08 -0.21 5.32 2.01 0.07 -4.96 115.64 121.33 2ayx s THR 734 Ca 0.40 -1.14 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 2ayx s THR 734 Cb -0.16 -1.02 -0.00 0.00 0.01 0.00 0.00 72.50 71.33 2ayx s THR 734 CO 0.11 -0.12 1.17 -0.89 -0.69 0.00 0.00 174.62 174.20 2ayx s THR 735 N -1.07 4.44 -0.36 -0.82 2.01 -1.26 -1.51 115.64 117.06 2ayx s THR 735 Ca -0.01 1.72 -0.28 0.00 0.31 0.00 0.00 61.69 63.44 2ayx s THR 735 Cb -0.09 -4.16 0.02 0.00 0.01 0.00 0.00 72.50 68.28 2ayx s THR 735 CO 0.02 -0.21 1.02 -0.47 -0.69 0.00 0.00 174.62 174.28 2ayx s TYR 736 N 3.48 3.07 -0.14 4.92 5.04 -0.09 -4.84 117.35 128.79 2ayx s TYR 736 Ca 0.50 0.94 -0.01 0.00 -2.44 0.00 0.00 57.07 56.06 2ayx s TYR 736 Cb -0.18 -3.78 -0.08 0.00 0.35 0.00 0.00 41.96 38.27 2ayx s TYR 736 CO 0.12 -0.87 -0.14 0.39 -1.34 0.00 0.00 175.55 173.71 2ayx n GLU 737 N 6.97 0.34 0.00 4.97 1.02 -1.26 -4.41 120.64 128.27 2ayx n GLU 737 Ca 0.10 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2ayx n GLU 737 Cb 0.48 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayx n GLY 738 N 2.64 0.00 2.53 0.62 0.00 -1.26 -5.17 105.19 104.54 2ayx n GLY 738 Ca -0.26 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.61 2ayx n GLY 738 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ayx n GLN 739 N 0.00 0.09 -3.64 1.61 3.00 -1.26 -5.08 117.38 112.10 2ayx n GLN 739 Ca 0.00 -1.75 -0.36 0.00 -0.01 0.00 0.00 57.00 54.88 2ayx n GLN 739 Cb 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 30.24 29.71 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 -4.19 4.12 -0.12 -1.09 2.02 -1.26 -5.07 118.70 113.11 2ayx s GLU 740 Ca 0.43 -0.02 -0.23 0.00 0.02 0.00 0.00 54.97 55.18 2ayx s GLU 740 Cb -0.02 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 2ayx s GLU 740 CO 0.29 0.35 0.69 -1.25 0.02 0.00 0.00 175.26 175.35 2ayx s PRO 741 N 0.17 4.36 0.20 0.39 0.05 -1.26 -5.07 135.00 133.84 2ayx s PRO 741 Ca 0.14 0.81 -0.11 0.00 0.05 0.00 0.00 61.00 61.89 2ayx s PRO 741 Cb -0.12 -3.50 -0.07 0.00 0.05 0.00 0.00 34.50 30.86 2ayx s PRO 741 CO 0.02 -0.06 0.54 0.99 0.05 0.00 0.00 177.00 178.55 2ayx s THR 742 N 1.24 4.92 -2.00 1.26 2.01 -1.26 -4.64 115.64 117.18 2ayx s THR 742 Ca 0.35 0.55 0.01 0.00 0.31 0.00 0.00 61.69 62.91 2ayx s THR 742 Cb -0.17 -3.65 0.04 0.00 0.01 0.00 0.00 72.50 68.74 2ayx s THR 742 CO 0.15 0.02 0.37 -0.81 -0.69 0.00 0.00 174.62 173.66 2ayx n PRO 743 N 0.13 0.09 0.00 4.92 -0.04 -1.26 0.02 135.00 138.86 2ayx n PRO 743 Ca -0.01 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2ayx n PRO 743 Cb 0.52 -1.25 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.75 1.12 -3.33 0.54 1.02 -1.26 -2.85 120.64 115.13 2ayx n GLU 744 Ca 0.01 -0.48 -0.33 0.00 -0.02 0.00 0.00 57.16 56.35 2ayx n GLU 744 Cb 0.00 -0.93 -0.06 0.00 -0.02 0.00 0.00 31.44 30.44 2ayx n GLU 744 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ayx s ASP 745 N -0.45 6.70 -0.04 1.62 1.01 0.10 -4.64 116.67 120.97 2ayx s ASP 745 Ca 0.02 1.05 0.07 0.00 0.71 0.00 0.00 52.55 54.39 2ayx s ASP 745 Cb 0.02 -2.28 -0.01 0.00 1.01 0.00 0.00 42.92 41.66 2ayx s ASP 745 CO 0.04 -0.08 -0.25 0.54 0.21 0.00 0.00 175.17 175.64 2ayx s VAL 746 N -1.80 2.00 -0.48 -1.27 0.11 -1.26 -0.66 120.40 117.05 2ayx s VAL 746 Ca 0.47 -1.06 -0.10 0.00 -2.93 0.00 0.00 61.98 58.37 2ayx s VAL 746 Cb -0.12 -1.68 0.12 0.00 -1.53 0.00 0.00 36.38 33.18 2ayx s VAL 746 CO 0.20 0.56 0.36 -0.22 -3.33 0.00 0.00 175.10 172.67 2ayx s LEU 747 N -0.33 5.76 -0.49 2.54 0.20 -0.50 -0.92 118.68 124.95 2ayx s LEU 747 Ca 0.02 -1.90 -0.19 0.00 0.69 0.00 0.00 54.13 52.74 2ayx s LEU 747 Cb -0.12 -2.04 0.05 0.00 -0.43 0.00 0.00 46.19 43.65 2ayx s LEU 747 CO 0.02 -0.72 0.62 -0.63 -0.29 0.00 0.00 176.35 175.35 2ayx s ILE 748 N 1.39 4.87 0.18 6.68 1.01 0.42 -0.48 121.20 135.27 2ayx s ILE 748 Ca 0.05 -0.34 0.06 0.00 0.00 0.00 0.00 60.65 60.43 2ayx s ILE 748 Cb -0.27 -4.26 -0.05 0.00 0.01 0.00 0.00 42.46 37.90 2ayx s ILE 748 CO -0.00 -0.74 -0.12 0.28 0.00 0.00 0.00 174.94 174.36 2ayx s THR 749 N 2.66 1.45 0.01 2.92 -1.32 -0.79 -0.49 115.64 120.08 2ayx s THR 749 Ca 0.17 -2.14 0.01 0.00 -1.21 0.00 0.00 61.69 58.52 2ayx s THR 749 Cb -0.18 -1.98 -0.04 0.00 -1.51 0.00 0.00 72.50 68.79 2ayx s THR 749 CO 0.14 -0.64 0.06 1.51 -2.21 0.00 0.00 174.62 173.47 2ayx s ASP 750 N -3.25 5.50 0.80 8.08 -4.77 -1.05 -0.63 116.67 121.35 2ayx s ASP 750 Ca 0.20 0.08 0.00 0.00 -3.30 0.00 0.00 52.55 49.53 2ayx s ASP 750 Cb 0.01 -1.53 0.00 0.00 -1.09 0.00 0.00 42.92 40.31 2ayx s ASP 750 CO 0.04 0.26 0.00 -0.62 0.70 0.00 0.00 175.17 175.55 2ayx n GLU 751 N 1.14 0.00 -2.48 2.11 -0.58 0.32 -4.71 120.64 116.44 2ayx n GLU 751 Ca -0.13 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.19 2ayx n GLU 751 Cb 0.53 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.37 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ayx s VAL 752 N 0.00 4.27 -0.06 2.62 1.01 -1.25 -4.42 120.40 122.57 2ayx s VAL 752 Ca 0.00 1.61 -0.04 0.00 0.00 0.00 0.00 61.98 63.55 2ayx s VAL 752 Cb 0.00 -4.03 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2ayx s VAL 752 CO 0.00 0.05 0.11 0.54 0.00 0.00 0.00 175.10 175.80 2ayx s VAL 753 N 1.74 5.12 -0.48 2.92 0.11 -1.26 -5.01 120.40 123.54 2ayx s VAL 753 Ca 0.56 -0.10 -0.01 0.00 -2.93 0.00 0.00 61.98 59.50 2ayx s VAL 753 Cb -0.25 -3.28 0.33 0.00 -1.53 0.00 0.00 36.38 31.64 2ayx s VAL 753 CO 0.25 0.48 2.02 -1.20 -3.33 0.00 0.00 175.10 173.32 2ayx n SER 754 N 1.57 7.00 -3.56 3.54 7.64 -1.26 -4.87 113.62 123.68 2ayx n SER 754 Ca -0.16 -3.40 -0.17 0.00 1.01 0.00 0.00 58.87 56.15 2ayx n SER 754 Cb 0.54 -1.02 -0.06 0.00 -1.01 0.00 0.00 64.21 62.65 2ayx n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayx s LYS 755 N -2.75 0.98 -0.01 1.43 2.20 -1.26 -5.03 119.74 115.31 2ayx s LYS 755 Ca 0.47 0.35 0.19 0.00 -0.36 0.00 0.00 55.97 56.62 2ayx s LYS 755 Cb 0.37 0.46 0.57 0.00 -1.51 0.00 0.00 37.83 37.73 2ayx s LYS 755 CO -0.01 -0.28 1.48 1.63 -0.36 0.00 0.00 175.35 177.82 2ayx n LYS 756 N 1.26 2.58 -0.82 4.03 4.76 -1.26 -5.06 118.16 123.66 2ayx n LYS 756 Ca -0.18 -2.33 0.04 0.00 -2.87 0.00 0.00 58.31 52.96 2ayx n LYS 756 Cb 0.57 -1.53 -0.02 0.00 -1.84 0.00 0.00 35.03 32.20 2ayx n LYS 756 CO 0.00 0.00 0.00 1.87 -1.37 0.00 0.00 177.40 177.90 2ayx n TRP 757 N 1.34 -2.22 -2.62 2.13 -0.00 -1.26 -4.91 117.44 109.91 2ayx n TRP 757 Ca 0.22 1.21 -0.12 0.00 -0.00 0.00 0.00 57.50 58.81 2ayx n TRP 757 Cb 0.57 -2.06 0.03 0.00 -0.00 0.00 0.00 31.31 29.85 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 -2.56 1.79 0.00 5.87 3.00 -1.26 -5.07 117.38 119.15 2ayx n GLN 758 Ca -0.02 -3.57 0.00 0.00 -0.01 0.00 0.00 57.00 53.39 2ayx n GLN 758 Cb 0.30 -1.54 0.00 0.00 0.00 0.00 0.00 30.24 29.00 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 -0.26 5.08 0.19 1.08 0.00 -1.26 -4.18 105.19 105.84 2ayx n GLY 759 Ca 0.16 -0.69 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.37 -3.00 1.61 2.43 -0.73 -3.43 114.38 110.88 2ayx h ARG 760 Ca 0.00 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2ayx h ARG 760 Cb 0.00 0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 29.50 2ayx h ARG 760 CO 0.00 -0.25 0.07 0.00 -1.51 0.00 0.00 179.97 178.28 2ayx s ALA 761 N -3.53 -1.33 -0.06 2.80 0.00 -1.15 -4.67 121.76 113.82 2ayx s ALA 761 Ca -0.06 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.34 2ayx s ALA 761 Cb 0.01 0.63 0.01 0.00 0.00 0.00 0.00 23.12 23.76 2ayx s ALA 761 CO 0.17 -0.63 -0.16 0.54 0.00 0.00 0.00 175.76 175.69 2ayx s VAL 762 N -3.23 1.36 -0.50 0.00 0.11 0.10 -1.41 120.40 116.84 2ayx s VAL 762 Ca -0.01 -0.64 -0.04 0.00 -2.93 0.00 0.00 61.98 58.36 2ayx s VAL 762 Cb -0.00 -1.21 0.13 0.00 -1.53 0.00 0.00 36.38 33.78 2ayx s VAL 762 CO -0.08 0.40 0.32 -0.69 -3.33 0.00 0.00 175.10 171.72 2ayx s VAL 763 N 0.40 3.66 -0.88 2.04 1.01 0.37 -1.88 120.40 125.12 2ayx s VAL 763 Ca -0.12 -2.31 -0.21 0.00 0.00 0.00 0.00 61.98 59.34 2ayx s VAL 763 Cb -0.15 -3.44 0.09 0.00 0.00 0.00 0.00 36.38 32.88 2ayx s VAL 763 CO 0.04 -0.78 1.18 -0.89 0.00 0.00 0.00 175.10 174.65 2ayx s THR 764 N 0.76 4.39 -1.16 3.92 2.01 0.33 -1.89 115.64 124.00 2ayx s THR 764 Ca 0.11 -1.01 -0.18 0.00 0.31 0.00 0.00 61.69 60.92 2ayx s THR 764 Cb -0.22 -4.84 0.10 0.00 0.01 0.00 0.00 72.50 67.56 2ayx s THR 764 CO -0.03 -1.62 1.50 -0.36 -0.69 0.00 0.00 174.62 173.41 2ayx s PHE 765 N 3.70 2.99 -0.11 4.92 0.40 0.20 -1.61 117.98 128.46 2ayx s PHE 765 Ca 0.34 -1.58 -0.15 0.00 -0.60 0.00 0.00 56.93 54.94 2ayx s PHE 765 Cb -0.06 -4.55 -0.05 0.00 0.51 0.00 0.00 43.02 38.87 2ayx s PHE 765 CO -0.04 -1.67 0.36 0.00 0.70 0.00 0.00 175.22 174.57 2ayx h ARG 767 N 6.15 0.00 0.00 0.00 2.47 -1.90 -3.27 114.38 117.83 2ayx h ARG 767 Ca -0.44 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 2ayx h ARG 767 Cb 1.18 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.50 2ayx h ARG 767 CO 0.71 0.39 -0.79 0.54 0.56 0.00 0.00 179.97 181.38 2ayx n ARG 768 N -4.57 1.83 -3.69 0.04 3.00 -1.26 -4.92 116.66 107.10 2ayx n ARG 768 Ca -0.15 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.30 2ayx n ARG 768 Cb 0.40 -0.89 -0.11 0.00 0.00 0.00 0.00 32.46 31.85 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 -1.79 3.33 -0.78 -1.55 3.76 -1.26 -5.02 115.29 111.98 2ayx s HIS 769 Ca 0.00 -1.59 -0.07 0.00 -0.15 0.00 0.00 55.06 53.26 2ayx s HIS 769 Cb 0.00 -2.68 0.20 0.00 1.11 0.00 0.00 32.58 31.21 2ayx s HIS 769 CO 0.00 -0.81 0.67 0.42 -0.85 0.00 0.00 174.74 174.17 2ayx s ILE 770 N 1.38 4.62 -2.25 0.60 1.01 -1.26 -3.86 121.20 121.44 2ayx s ILE 770 Ca 0.01 -3.04 0.20 0.00 0.00 0.00 0.00 60.65 57.82 2ayx s ILE 770 Cb -0.21 -3.90 0.46 0.00 0.01 0.00 0.00 42.46 38.82 2ayx s ILE 770 CO 0.02 -0.99 1.44 0.61 0.00 0.00 0.00 174.94 176.02 2ayx n GLY 771 N 3.32 1.30 3.77 6.18 0.00 -1.26 -4.89 105.19 113.62 2ayx n GLY 771 Ca 0.14 -0.60 -0.35 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.49 4.80 0.00 -0.61 -1.09 -1.26 -5.04 121.20 116.51 2ayx s ILE 772 Ca 0.36 -0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 2ayx s ILE 772 Cb 0.20 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.98 2ayx s ILE 772 CO 0.28 0.53 0.00 -2.65 -1.23 0.00 0.00 174.94 171.86 2ayx n PRO 773 N 1.78 0.00 -2.61 2.79 -0.02 -1.26 -4.99 135.00 130.68 2ayx n PRO 773 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2ayx n PRO 773 Cb 0.54 -0.16 0.00 0.00 -0.02 0.00 0.00 33.50 33.86 2ayx n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayx n LEU 774 N 0.00 0.00 -2.68 2.45 -0.00 -1.26 -4.78 117.00 110.73 2ayx n LEU 774 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.98 2ayx n LEU 774 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2ayx n LEU 774 CO 0.00 0.00 0.92 1.21 -0.00 0.00 0.00 177.39 179.52 2ayx n GLU 775 N 0.00 0.36 -0.00 1.47 2.13 -0.34 -3.07 120.64 121.18 2ayx n GLU 775 Ca 0.00 -0.37 0.01 0.00 0.66 0.00 0.00 57.16 57.46 2ayx n GLU 775 Cb 0.00 -1.78 0.01 0.00 0.27 0.00 0.00 31.44 29.93 2ayx n GLU 775 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2ayx n LYS 776 N 3.69 -0.64 -4.26 5.31 2.85 -1.26 -5.01 118.16 118.85 2ayx n LYS 776 Ca 0.08 -0.63 -0.22 0.00 -1.05 0.00 0.00 58.31 56.49 2ayx n LYS 776 Cb 0.08 -1.03 -0.12 0.00 -0.65 0.00 0.00 35.03 33.31 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 -0.16 1.63 -0.51 0.58 0.00 -1.18 -5.08 121.76 117.05 2ayx s ALA 777 Ca 0.02 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 2ayx s ALA 777 Cb 0.01 -0.19 -0.06 0.00 0.00 0.00 0.00 23.12 22.89 2ayx s ALA 777 CO 0.02 0.28 2.29 -1.25 0.00 0.00 0.00 175.76 177.10 2ayx s PRO 778 N -2.01 2.23 0.00 0.00 0.04 -1.26 -1.84 135.00 132.16 2ayx s PRO 778 Ca 0.05 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.35 2ayx s PRO 778 Cb -0.09 -4.54 0.00 0.00 0.04 0.00 0.00 34.50 29.91 2ayx s PRO 778 CO 0.04 -3.14 0.00 0.41 0.04 0.00 0.00 177.00 174.35 2ayx n GLY 779 N 5.93 0.90 3.43 0.56 0.00 -1.26 -4.94 105.19 109.81 2ayx n GLY 779 Ca 0.33 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2ayx n GLY 779 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ayx s GLU 780 N -0.36 3.57 -0.22 1.61 -6.30 -0.77 -0.72 118.70 115.51 2ayx s GLU 780 Ca 0.00 -0.55 -0.04 0.00 -2.50 0.00 0.00 54.97 51.88 2ayx s GLU 780 Cb 0.00 -3.01 0.09 0.00 0.00 0.00 0.00 34.13 31.21 2ayx s GLU 780 CO 0.00 0.03 0.17 -1.58 0.02 0.00 0.00 175.26 173.90 2ayx s TRP 781 N 0.93 -0.02 0.18 5.30 0.52 -0.79 -1.20 118.94 123.86 2ayx s TRP 781 Ca 0.00 -0.23 0.04 0.00 0.02 0.00 0.00 56.10 55.94 2ayx s TRP 781 Cb -0.14 -0.59 -0.03 0.00 -1.15 0.00 0.00 33.47 31.55 2ayx s TRP 781 CO 0.01 -0.66 0.25 0.14 0.02 0.00 0.00 176.95 176.71 2ayx s VAL 782 N 2.22 4.99 -0.25 4.03 -7.23 -1.26 -0.52 120.40 122.38 2ayx s VAL 782 Ca 0.06 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.01 2ayx s VAL 782 Cb -0.16 -3.60 0.18 0.00 0.56 0.00 0.00 36.38 33.36 2ayx s VAL 782 CO -0.19 -0.17 1.27 -2.28 -0.31 0.00 0.00 175.10 173.42 2ayx s HIS 783 N -1.83 -0.12 -0.49 2.82 2.46 -0.64 -4.90 115.29 112.60 2ayx s HIS 783 Ca 0.33 0.20 -0.11 0.00 0.47 0.00 0.00 55.06 55.96 2ayx s HIS 783 Cb -0.10 0.48 0.12 0.00 -0.13 0.00 0.00 32.58 32.95 2ayx s HIS 783 CO 0.27 -0.11 0.38 -1.12 -2.47 0.00 0.00 174.74 171.69 2ayx s SER 784 N -1.05 5.84 0.21 9.88 0.01 -1.23 -1.34 113.70 126.01 2ayx s SER 784 Ca 0.06 -1.86 -0.22 0.00 1.31 0.00 0.00 55.95 55.24 2ayx s SER 784 Cb -0.01 -2.07 0.04 0.00 0.21 0.00 0.00 66.02 64.20 2ayx s SER 784 CO -0.06 -0.73 0.64 0.68 0.41 0.00 0.00 173.24 174.18 2ayx s VAL 785 N 1.43 0.00 -0.61 3.43 -7.23 -1.26 -5.04 120.40 111.12 2ayx s VAL 785 Ca 0.05 -0.49 -0.00 0.00 -1.81 0.00 0.00 61.98 59.72 2ayx s VAL 785 Cb -0.27 -1.47 0.45 0.00 0.56 0.00 0.00 36.38 35.65 2ayx s VAL 785 CO 0.00 -0.01 1.89 0.00 -0.31 0.00 0.00 175.10 176.67 2ayx n ALA 786 N -0.41 6.12 -3.60 1.32 0.00 -1.26 -4.94 120.51 117.75 2ayx n ALA 786 Ca -0.11 -3.56 -0.25 0.00 0.00 0.00 0.00 53.44 49.53 2ayx n ALA 786 Cb 0.62 -1.53 0.03 0.00 0.00 0.00 0.00 19.45 18.57 2ayx n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayx n ALA 787 N -0.87 -2.60 -0.04 0.00 0.00 -1.26 -4.69 120.51 111.04 2ayx n ALA 787 Ca 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2ayx n ALA 787 Cb 0.70 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.30 2ayx n ALA 787 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ayx n PRO 788 N -3.42 0.00 0.00 0.00 -0.02 -1.26 -4.81 135.00 125.49 2ayx n PRO 788 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 2ayx n PRO 788 Cb 0.60 -1.27 0.00 0.00 -0.02 0.00 0.00 33.50 32.81 2ayx n PRO 788 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2ayx n HIS 789 N -1.94 0.00 0.05 6.00 1.44 -1.26 -4.95 115.22 114.56 2ayx n HIS 789 Ca 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.64 2ayx n HIS 789 Cb 0.00 0.00 0.11 0.00 0.12 0.00 0.00 29.99 30.22 2ayx n HIS 789 CO 0.00 0.00 0.00 1.05 -2.81 0.00 0.00 176.34 174.58 2ayx h GLU 790 N 0.00 0.38 0.42 -1.40 9.09 -1.99 -2.54 114.58 118.54 2ayx h GLU 790 Ca 0.00 -0.24 -0.02 0.00 0.05 0.00 0.00 59.36 59.15 2ayx h GLU 790 Cb 0.00 0.03 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 2ayx h GLU 790 CO 0.00 0.83 -0.20 1.25 0.05 0.00 0.00 179.01 180.94 2ayx h LEU 791 N 0.29 -0.47 -2.26 3.06 7.12 -1.92 -0.66 115.31 120.47 2ayx h LEU 791 Ca 0.00 -0.10 0.03 0.00 0.13 0.00 0.00 57.88 57.94 2ayx h LEU 791 Cb 1.06 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.31 2ayx h LEU 791 CO 0.09 -0.14 0.09 1.55 -0.13 0.00 0.00 178.44 179.90 2ayx h PRO 792 N -0.83 0.00 -0.21 5.25 0.13 -1.92 -0.10 132.00 134.31 2ayx h PRO 792 Ca -0.06 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.02 2ayx h PRO 792 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2ayx h PRO 792 CO 0.09 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 177.78 2ayx h ALA 793 N 1.90 0.30 -0.45 -0.56 0.00 -1.15 -0.53 119.26 118.78 2ayx h ALA 793 Ca 0.05 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 2ayx h ALA 793 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2ayx h ALA 793 CO -0.00 0.12 -0.05 1.25 0.00 0.00 0.00 179.25 180.58 2ayx h LEU 794 N 0.15 0.74 -0.47 0.00 7.12 -0.22 -1.86 115.31 120.77 2ayx h LEU 794 Ca 0.05 -0.19 -0.02 0.00 0.13 0.00 0.00 57.88 57.84 2ayx h LEU 794 Cb 0.57 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.48 2ayx h LEU 794 CO 0.03 0.84 0.20 -0.07 -0.13 0.00 0.00 178.44 179.30 2ayx h LEU 795 N 0.71 0.64 -1.48 2.25 -0.00 -0.92 0.25 115.31 116.75 2ayx h LEU 795 Ca 0.13 -0.16 -0.04 0.00 -0.00 0.00 0.00 57.88 57.81 2ayx h LEU 795 Cb 0.50 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.98 2ayx h LEU 795 CO 0.03 0.62 -0.11 0.00 -0.00 0.00 0.00 178.44 178.98 2ayx h ALA 796 N 1.04 1.58 -0.12 1.53 0.00 -0.90 -1.76 119.26 120.62 2ayx h ALA 796 Ca 0.16 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2ayx h ALA 796 Cb 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ayx h ALA 796 CO -0.01 0.31 -0.09 -0.09 0.00 0.00 0.00 179.25 179.36 2ayx h ARG 797 N 0.20 0.27 0.00 0.00 9.65 -0.61 -3.08 114.38 120.81 2ayx h ARG 797 Ca 0.04 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2ayx h ARG 797 Cb 0.32 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 2ayx h ARG 797 CO 0.02 0.65 0.00 0.97 2.80 0.00 0.00 179.97 184.41 2ayx h ILE 798 N -0.10 0.00 0.00 1.20 2.10 -0.70 0.10 117.51 120.10 2ayx h ILE 798 Ca 0.02 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.61 2ayx h ILE 798 Cb 0.59 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.52 2ayx h ILE 798 CO 0.02 0.00 0.00 -1.22 -1.08 0.00 0.00 178.15 175.87 2ayx n TYR 799 N -2.60 0.00 -3.29 2.19 4.01 -0.69 -4.93 117.16 111.85 2ayx n TYR 799 Ca 0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 2ayx n TYR 799 Cb 0.26 -0.42 0.08 0.00 -0.31 0.00 0.00 39.34 38.96 2ayx n TYR 799 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2ayx n LEU 800 N -1.42 -3.78 0.01 7.72 4.77 0.02 -4.94 117.00 119.39 2ayx n LEU 800 Ca 0.09 -0.55 -0.18 0.00 -0.03 0.00 0.00 56.01 55.34 2ayx n LEU 800 Cb 0.28 -2.84 -0.08 0.00 -2.33 0.00 0.00 43.42 38.45 2ayx n LEU 800 CO 0.24 0.36 0.18 0.40 -1.33 0.00 0.00 177.39 177.24 2ayx h ILE 801 N -1.74 1.29 -6.03 -0.08 2.04 -1.75 -3.49 117.51 107.75 2ayx h ILE 801 Ca -0.52 -2.12 -0.23 0.00 1.00 0.00 0.00 64.86 62.98 2ayx h ILE 801 Cb 1.30 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2ayx h ILE 801 CO 0.45 0.66 -0.52 -0.62 0.00 0.00 0.00 178.15 178.12 2ayx n GLU 802 N -3.89 -1.43 0.10 2.37 -0.58 -1.26 -4.94 120.64 111.02 2ayx n GLU 802 Ca -0.09 1.15 -0.21 0.00 -0.42 0.00 0.00 57.16 57.59 2ayx n GLU 802 Cb 0.81 -4.11 -0.15 0.00 -0.57 0.00 0.00 31.44 27.42 2ayx n GLU 802 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2ayx h MET 803 N 0.11 0.38 -6.17 3.49 4.05 -1.96 -3.42 114.93 111.40 2ayx h MET 803 Ca -0.30 -0.65 -0.52 0.00 -0.28 0.00 0.00 59.70 57.95 2ayx h MET 803 Cb 1.19 0.24 -0.06 0.00 -0.80 0.00 0.00 31.60 32.17 2ayx h MET 803 CO 0.33 1.28 1.19 -1.21 0.23 0.00 0.00 176.91 178.74 2ayx s GLU 804 N -2.61 2.95 0.35 0.39 2.02 -1.26 -4.98 118.70 115.55 2ayx s GLU 804 Ca -0.10 0.09 0.03 0.00 0.02 0.00 0.00 54.97 55.01 2ayx s GLU 804 Cb 0.06 -4.33 -0.02 0.00 0.10 0.00 0.00 34.13 29.94 2ayx s GLU 804 CO 0.89 -2.43 0.52 -1.54 0.02 0.00 0.00 175.26 172.71 2ayx s SER 805 N 5.73 6.08 -0.36 -0.19 1.04 -1.26 -5.09 113.70 119.65 2ayx s SER 805 Ca 0.50 0.13 0.02 0.00 0.48 0.00 0.00 55.95 57.08 2ayx s SER 805 Cb -0.10 -1.62 0.15 0.00 0.10 0.00 0.00 66.02 64.55 2ayx s SER 805 CO 0.16 -0.39 0.33 -0.62 0.98 0.00 0.00 173.24 173.70 2ayx s ASP 806 N -4.11 1.63 0.07 7.02 2.15 -1.26 -5.12 116.67 117.06 2ayx s ASP 806 Ca 0.42 -1.64 -0.30 0.00 0.43 0.00 0.00 52.55 51.46 2ayx s ASP 806 Cb -0.10 0.34 -0.10 0.00 -0.30 0.00 0.00 42.92 42.77 2ayx s ASP 806 CO 0.33 -0.28 1.91 -0.62 -0.17 0.00 0.00 175.17 176.34 2ayx s ASP 807 N 1.44 6.43 1.00 -0.34 -1.08 -1.26 -4.99 116.67 117.88 2ayx s ASP 807 Ca 0.16 2.72 -0.01 0.00 -0.52 0.00 0.00 52.55 54.90 2ayx s ASP 807 Cb -0.17 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.75 2ayx s ASP 807 CO -0.05 -1.04 0.04 -2.65 0.52 0.00 0.00 175.17 171.99 2ayx n PRO 808 N 6.76 -0.31 -4.07 4.34 -0.02 -1.26 -5.10 135.00 135.34 2ayx n PRO 808 Ca 0.19 -0.07 -0.22 0.00 -2.02 0.00 0.00 63.50 61.38 2ayx n PRO 808 Cb 0.40 -0.05 -0.06 0.00 -0.02 0.00 0.00 33.50 33.77 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 -3.74 3.53 -0.12 3.55 0.00 -1.26 -5.13 121.76 118.60 2ayx s ALA 809 Ca 0.02 -1.70 0.03 0.00 0.00 0.00 0.00 51.96 50.32 2ayx s ALA 809 Cb -0.00 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.19 2ayx s ALA 809 CO 0.02 0.10 -0.21 1.21 0.00 0.00 0.00 175.76 176.88 2ayx s ASN 810 N -3.85 3.30 -0.23 0.00 2.47 -1.26 -5.09 114.94 110.28 2ayx s ASN 810 Ca 0.37 -0.52 -0.04 0.00 0.42 0.00 0.00 52.86 53.08 2ayx s ASN 810 Cb -0.05 -1.46 0.08 0.00 -1.45 0.00 0.00 41.25 38.37 2ayx s ASN 810 CO 0.23 0.14 0.13 0.00 -3.72 0.00 0.00 177.10 173.89 2ayx s ALA 811 N 0.45 0.34 0.04 1.71 0.00 -1.26 -5.14 121.76 117.92 2ayx s ALA 811 Ca -0.15 -0.51 -0.20 0.00 0.00 0.00 0.00 51.96 51.10 2ayx s ALA 811 Cb -0.17 -1.25 -0.06 0.00 0.00 0.00 0.00 23.12 21.64 2ayx s ALA 811 CO 0.06 -1.38 0.60 -1.17 0.00 0.00 0.00 175.76 173.86 2ayx s LEU 812 N 2.16 4.48 0.60 0.00 2.96 -1.26 -5.06 118.68 122.56 2ayx s LEU 812 Ca 0.06 1.24 -0.17 0.00 -0.22 0.00 0.00 54.13 55.03 2ayx s LEU 812 Cb -0.16 -2.94 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 2ayx s LEU 812 CO -0.21 0.19 1.12 -2.84 -1.32 0.00 0.00 176.35 173.28 2ayx s PRO 813 N -0.66 3.11 -0.01 0.98 0.02 -1.26 -5.07 135.00 132.11 2ayx s PRO 813 Ca 0.30 1.49 0.01 0.00 0.02 0.00 0.00 61.00 62.82 2ayx s PRO 813 Cb -0.19 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2ayx s PRO 813 CO 0.19 -1.02 -0.04 -1.12 -0.33 0.00 0.00 177.00 174.68 2ayx s SER 814 N -2.20 0.46 -0.42 2.53 0.01 -1.26 -5.12 113.70 107.71 2ayx s SER 814 Ca 0.70 -0.07 0.03 0.00 1.31 0.00 0.00 55.95 57.92 2ayx s SER 814 Cb -0.22 -0.07 0.12 0.00 0.21 0.00 0.00 66.02 66.06 2ayx s SER 814 CO 0.34 0.03 0.18 -0.89 0.41 0.00 0.00 173.24 173.31 2ayx s THR 815 N 0.02 1.96 -0.18 1.44 2.01 -1.26 -5.08 115.64 114.55 2ayx s THR 815 Ca 0.00 -2.60 0.00 0.00 0.31 0.00 0.00 61.69 59.41 2ayx s THR 815 Cb -0.03 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.10 2ayx s THR 815 CO -0.00 -0.76 -0.18 -0.62 -0.69 0.00 0.00 174.62 172.37 2ayx s ASP 816 N 0.45 3.26 -0.30 3.53 2.15 -1.26 -5.06 116.67 119.45 2ayx s ASP 816 Ca 0.15 -0.62 -0.15 0.00 0.43 0.00 0.00 52.55 52.36 2ayx s ASP 816 Cb -0.23 -1.51 0.18 0.00 -0.30 0.00 0.00 42.92 41.06 2ayx s ASP 816 CO -0.05 -0.00 1.06 -0.75 -0.17 0.00 0.00 175.17 175.25 2ayx s LYS 817 N 1.31 0.21 0.01 4.34 2.20 -1.26 -5.18 119.74 121.38 2ayx s LYS 817 Ca 0.05 0.48 -0.00 0.00 -0.36 0.00 0.00 55.97 56.13 2ayx s LYS 817 Cb -0.13 0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 2ayx s LYS 817 CO -0.12 -0.14 -0.02 0.00 -0.36 0.00 0.00 175.35 174.72 2ayx s ALA 818 N 2.58 0.07 -0.30 3.13 0.00 -1.26 -5.13 121.76 120.85 2ayx s ALA 818 Ca -0.01 -0.38 -0.16 0.00 0.00 0.00 0.00 51.96 51.41 2ayx s ALA 818 Cb -0.07 0.10 0.18 0.00 0.00 0.00 0.00 23.12 23.33 2ayx s ALA 818 CO -0.15 -0.11 1.14 0.54 0.00 0.00 0.00 175.76 177.18 2ayx s VAL 819 N -0.95 -0.25 -0.05 0.00 0.11 -1.26 -5.19 120.40 112.82 2ayx s VAL 819 Ca -0.10 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.78 2ayx s VAL 819 Cb -0.07 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.82 2ayx s VAL 819 CO -0.01 0.00 0.37 -0.44 -3.33 0.00 0.00 175.10 171.70 2ayx s SER 820 N 2.56 -0.29 0.15 3.54 0.01 -1.26 -5.13 113.70 113.28 2ayx s SER 820 Ca -0.02 0.32 0.00 0.00 1.31 0.00 0.00 55.95 57.55 2ayx s SER 820 Cb -0.06 0.45 0.00 0.00 0.21 0.00 0.00 66.02 66.62 2ayx s SER 820 CO -0.14 -0.40 0.00 -0.67 0.41 0.00 0.00 173.24 172.45 2ayx n ASP 821 N 1.58 -3.62 0.00 2.44 2.03 -1.26 -5.07 116.55 112.65 2ayx n ASP 821 Ca -0.19 0.40 0.00 0.00 0.52 0.00 0.00 54.79 55.51 2ayx n ASP 821 Cb 0.56 -0.84 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 2ayx n ASP 821 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2ayx n ASN 822 N -0.78 0.00 -1.58 1.67 5.15 -1.26 -5.14 115.26 113.32 2ayx n ASN 822 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2ayx n ASN 822 Cb 0.00 0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.40 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ayx n ASP 823 N -1.81 -5.52 -3.31 1.20 2.03 -1.26 -4.96 116.55 102.93 2ayx n ASP 823 Ca 0.00 0.84 -0.32 0.00 0.52 0.00 0.00 54.79 55.83 2ayx n ASP 823 Cb 0.00 -2.97 -0.02 0.00 -0.72 0.00 0.00 41.12 37.41 2ayx n ASP 823 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ayx n ASP 824 N 0.86 5.37 -4.70 1.67 8.00 -1.26 -5.01 116.55 121.49 2ayx n ASP 824 Ca 0.00 -3.63 -0.38 0.00 0.71 0.00 0.00 54.79 51.49 2ayx n ASP 824 Cb 0.00 -0.81 -0.06 0.00 -0.02 0.00 0.00 41.12 40.22 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.32 -0.39 0.00 0.00 177.20 176.49 2ayx s MET 825 N -3.50 4.27 -0.07 -1.24 -2.45 -1.26 -5.02 119.30 110.03 2ayx s MET 825 Ca 0.43 0.39 0.03 0.00 -1.25 0.00 0.00 55.69 55.30 2ayx s MET 825 Cb 0.21 -3.48 0.01 0.00 1.25 0.00 0.00 34.83 32.82 2ayx s MET 825 CO -0.09 0.05 -0.17 0.00 1.05 0.00 0.00 175.02 175.86 2ayx s MET 826 N 0.99 2.11 -0.11 4.11 0.23 -1.26 -0.86 119.30 124.52 2ayx s MET 826 Ca 0.24 -0.59 0.04 0.00 -1.03 0.00 0.00 55.69 54.35 2ayx s MET 826 Cb -0.15 -1.70 0.00 0.00 -1.53 0.00 0.00 34.83 31.45 2ayx s MET 826 CO 0.09 0.11 -0.23 0.42 -2.03 0.00 0.00 175.02 173.39 2ayx s ILE 827 N 0.45 1.99 -0.13 3.16 -1.09 0.08 -2.47 121.20 123.18 2ayx s ILE 827 Ca -0.14 -0.97 -0.04 0.00 -2.23 0.00 0.00 60.65 57.28 2ayx s ILE 827 Cb -0.16 -1.73 -0.03 0.00 -1.58 0.00 0.00 42.46 38.96 2ayx s ILE 827 CO 0.05 0.54 0.01 -1.48 -1.23 0.00 0.00 174.94 172.83 2ayx s LEU 828 N 0.47 3.59 -0.30 2.97 2.34 -1.06 -1.83 118.68 124.87 2ayx s LEU 828 Ca -0.16 0.07 -0.04 0.00 0.06 0.00 0.00 54.13 54.06 2ayx s LEU 828 Cb -0.17 -1.86 0.04 0.00 -0.56 0.00 0.00 46.19 43.64 2ayx s LEU 828 CO 0.06 0.27 0.03 0.68 -1.06 0.00 0.00 176.35 176.34 2ayx s VAL 829 N -0.24 3.35 -0.41 1.48 -7.23 0.16 -1.16 120.40 116.34 2ayx s VAL 829 Ca 0.06 -1.13 -0.04 0.00 -1.81 0.00 0.00 61.98 59.06 2ayx s VAL 829 Cb -0.12 -2.84 0.11 0.00 0.56 0.00 0.00 36.38 34.08 2ayx s VAL 829 CO 0.02 -0.04 0.22 -0.69 -0.31 0.00 0.00 175.10 174.30 2ayx s VAL 830 N 1.35 3.42 -0.04 1.32 1.01 0.15 -0.91 120.40 126.70 2ayx s VAL 830 Ca -0.02 -1.97 0.07 0.00 0.00 0.00 0.00 61.98 60.05 2ayx s VAL 830 Cb -0.19 -3.31 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2ayx s VAL 830 CO -0.00 -0.67 -0.24 -0.62 0.00 0.00 0.00 175.10 173.57 2ayx s ASP 831 N 1.92 2.87 0.13 3.32 2.15 -0.91 -0.58 116.67 125.56 2ayx s ASP 831 Ca 0.07 -0.46 -0.08 0.00 0.43 0.00 0.00 52.55 52.51 2ayx s ASP 831 Cb -0.23 -0.57 -0.09 0.00 -0.30 0.00 0.00 42.92 41.73 2ayx s ASP 831 CO -0.03 0.26 1.33 -0.78 -0.17 0.00 0.00 175.17 175.78 2ayx h ASP 832 N 5.83 0.73 -3.84 -0.34 3.58 -1.75 -3.41 116.42 117.22 2ayx h ASP 832 Ca -0.37 -0.51 -0.72 0.00 0.42 0.00 0.00 57.03 55.85 2ayx h ASP 832 Cb 1.15 -0.22 -0.32 0.00 1.72 0.00 0.00 39.33 41.67 2ayx h ASP 832 CO 0.47 1.29 -0.28 -1.00 -2.88 0.00 0.00 179.24 176.85 2ayx s HIS 833 N -3.56 3.50 0.60 0.28 3.76 -1.26 -4.97 115.29 113.64 2ayx s HIS 833 Ca -0.08 -2.35 0.28 0.00 -0.15 0.00 0.00 55.06 52.76 2ayx s HIS 833 Cb 0.09 -3.41 1.18 0.00 1.11 0.00 0.00 32.58 31.56 2ayx s HIS 833 CO 0.88 -0.92 1.57 -1.35 -0.85 0.00 0.00 174.74 174.08 2ayx h PRO 834 N 7.57 0.00 -0.96 8.40 0.11 -2.00 -0.37 132.00 144.75 2ayx h PRO 834 Ca -0.04 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.12 2ayx h PRO 834 Cb 1.00 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.05 2ayx h PRO 834 CO 0.75 0.00 0.63 -0.84 -0.21 0.00 0.00 178.00 178.33 2ayx h ILE 835 N 0.00 1.14 -0.09 4.15 -0.00 -1.96 -0.05 117.51 120.70 2ayx h ILE 835 Ca 0.36 -0.41 -0.24 0.00 -0.00 0.00 0.00 64.86 64.57 2ayx h ILE 835 Cb 2.14 -0.16 0.01 0.00 -0.00 0.00 0.00 36.82 38.82 2ayx h ILE 835 CO -0.00 0.22 -0.90 -1.13 -0.00 0.00 0.00 178.15 176.34 2ayx h ASN 836 N 1.19 0.93 -1.01 2.16 -1.24 -1.48 -2.84 115.58 113.29 2ayx h ASN 836 Ca 0.39 -0.66 0.14 0.00 0.71 0.00 0.00 56.30 56.88 2ayx h ASN 836 Cb 0.05 -0.28 -0.09 0.00 0.73 0.00 0.00 38.32 38.73 2ayx h ASN 836 CO -0.14 1.47 0.63 -0.09 -1.29 0.00 0.00 177.43 178.00 2ayx h ARG 837 N 0.48 0.89 -0.62 6.67 2.43 -1.51 0.19 114.38 122.91 2ayx h ARG 837 Ca -0.09 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.05 2ayx h ARG 837 Cb 1.54 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 30.85 2ayx h ARG 837 CO 0.18 0.59 0.40 -0.09 -1.51 0.00 0.00 179.97 179.54 2ayx h ARG 838 N 0.92 0.77 -0.21 0.20 9.65 -0.87 -0.04 114.38 124.80 2ayx h ARG 838 Ca 0.53 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 59.29 2ayx h ARG 838 Cb 0.63 -0.17 -0.00 0.00 -1.39 0.00 0.00 29.97 29.03 2ayx h ARG 838 CO -0.31 0.51 -0.15 1.25 2.80 0.00 0.00 179.97 184.08 2ayx h LEU 839 N 0.80 0.49 -0.71 3.80 5.85 -0.49 0.17 115.31 125.21 2ayx h LEU 839 Ca 0.24 -0.44 -0.11 0.00 0.84 0.00 0.00 57.88 58.40 2ayx h LEU 839 Cb -0.04 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2ayx h LEU 839 CO -0.07 0.83 -0.21 0.17 -0.34 0.00 0.00 178.44 178.81 2ayx h LEU 840 N 0.16 0.77 -1.65 2.25 -0.00 -0.95 -2.19 115.31 113.71 2ayx h LEU 840 Ca 0.04 -0.27 -0.03 0.00 -0.00 0.00 0.00 57.88 57.62 2ayx h LEU 840 Cb 0.66 -0.21 -0.00 0.00 -0.00 0.00 0.00 40.66 41.11 2ayx h LEU 840 CO 0.04 0.97 -0.15 0.00 -0.00 0.00 0.00 178.44 179.29 2ayx h ALA 841 N 1.09 1.17 0.63 0.17 0.00 -0.87 0.42 119.26 121.88 2ayx h ALA 841 Ca 0.10 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2ayx h ALA 841 Cb 0.71 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2ayx h ALA 841 CO 0.05 0.19 -0.30 0.22 0.00 0.00 0.00 179.25 179.41 2ayx h ASP 842 N 0.00 -0.72 -0.40 0.00 1.82 -0.32 0.68 116.42 117.49 2ayx h ASP 842 Ca -0.00 -0.02 -0.10 0.00 -0.39 0.00 0.00 57.03 56.51 2ayx h ASP 842 Cb 0.48 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 2ayx h ASP 842 CO 0.02 -0.39 -0.16 1.56 -1.61 0.00 0.00 179.24 178.66 2ayx h GLN 843 N -1.05 0.81 -0.17 0.28 7.50 -1.28 -2.62 115.11 118.57 2ayx h GLN 843 Ca -0.09 -0.34 -0.07 0.00 0.50 0.00 0.00 58.65 58.65 2ayx h GLN 843 Cb 0.69 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 28.18 2ayx h GLN 843 CO 0.14 0.97 -0.21 -0.07 -1.50 0.00 0.00 178.83 178.16 2ayx h LEU 844 N 0.62 0.29 -0.79 1.46 4.07 -1.00 -1.99 115.31 117.98 2ayx h LEU 844 Ca 0.09 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.89 2ayx h LEU 844 Cb 0.71 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.35 2ayx h LEU 844 CO 0.05 0.52 0.02 1.23 -1.08 0.00 0.00 178.44 179.19 2ayx h GLY 845 N 0.93 1.01 0.84 0.83 0.00 -0.58 0.29 103.07 106.40 2ayx h GLY 845 Ca 0.05 -0.69 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 2ayx h GLY 845 CO 0.04 0.64 -0.29 1.76 0.00 0.00 0.00 176.54 178.69 2ayx h SER 846 N 0.87 0.56 -0.81 0.19 0.02 -1.13 -3.43 113.55 109.82 2ayx h SER 846 Ca 0.17 -0.53 -0.15 0.00 -0.84 0.00 0.00 61.79 60.44 2ayx h SER 846 Cb 0.48 -0.16 -0.16 0.00 0.14 0.00 0.00 62.40 62.70 2ayx h SER 846 CO 0.02 0.98 -0.46 0.00 -1.14 0.00 0.00 176.83 176.23 2ayx n LEU 847 N -4.37 -3.25 -1.67 5.07 -0.00 -0.78 -4.98 117.00 107.02 2ayx n LEU 847 Ca -0.06 -2.83 -0.00 0.00 -0.00 0.00 0.00 56.01 53.12 2ayx n LEU 847 Cb 0.47 0.75 0.01 0.00 -0.00 0.00 0.00 43.42 44.65 2ayx n LEU 847 CO 0.43 1.89 0.19 0.61 -0.00 0.00 0.00 177.39 180.51 2ayx n GLY 848 N 2.74 1.08 7.00 1.47 0.00 0.10 -4.70 105.19 112.88 2ayx n GLY 848 Ca 0.16 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.01 -0.59 -2.46 1.61 4.01 -1.26 -4.43 117.16 114.03 2ayx n TYR 849 Ca -0.06 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.25 2ayx n TYR 849 Cb 0.94 0.14 -0.02 0.00 -0.31 0.00 0.00 39.34 40.09 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 3.56 -0.12 -0.72 -0.21 -0.04 -4.88 119.66 117.25 2ayx s GLN 850 Ca 0.00 0.67 -0.12 0.00 0.02 0.00 0.00 55.36 55.93 2ayx s GLN 850 Cb 0.00 -4.01 -0.05 0.00 1.00 0.00 0.00 33.01 29.96 2ayx s GLN 850 CO 0.00 -1.59 0.28 0.00 -2.12 0.00 0.00 175.29 171.86 2ayx s LYS 852 N -0.19 2.17 -0.03 0.00 2.47 -0.76 -4.98 119.74 118.43 2ayx s LYS 852 Ca 0.17 -0.52 -0.16 0.00 -1.56 0.00 0.00 55.97 53.90 2ayx s LYS 852 Cb -0.13 -1.95 -0.05 0.00 -1.46 0.00 0.00 37.83 34.24 2ayx s LYS 852 CO 0.06 -0.16 0.42 0.95 0.16 0.00 0.00 175.35 176.78 2ayx s THR 853 N 1.29 5.06 0.13 3.43 -4.23 -1.26 -0.67 115.64 119.39 2ayx s THR 853 Ca -0.00 0.87 -0.13 0.00 -1.18 0.00 0.00 61.69 61.25 2ayx s THR 853 Cb -0.14 -3.74 0.01 0.00 1.34 0.00 0.00 72.50 69.98 2ayx s THR 853 CO -0.06 0.51 0.33 0.00 -0.54 0.00 0.00 174.62 174.86 2ayx s ALA 854 N -0.62 -0.53 -0.44 3.99 0.00 -0.09 -4.94 121.76 119.13 2ayx s ALA 854 Ca 0.24 -0.41 0.06 0.00 0.00 0.00 0.00 51.96 51.85 2ayx s ALA 854 Cb -0.16 0.68 0.21 0.00 0.00 0.00 0.00 23.12 23.85 2ayx s ALA 854 CO 0.12 -0.62 0.57 0.27 0.00 0.00 0.00 175.76 176.10 2ayx n ASN 855 N -0.19 -1.26 0.00 0.00 6.94 -1.26 -2.14 115.26 117.36 2ayx n ASN 855 Ca -0.13 -2.75 0.00 0.00 -0.02 0.00 0.00 54.58 51.68 2ayx n ASN 855 Cb 0.63 0.28 0.00 0.00 -2.36 0.00 0.00 39.78 38.33 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 2.16 0.00 0.05 0.53 -0.08 -1.26 -4.93 116.55 113.02 2ayx n ASP 856 Ca 0.21 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.38 2ayx n ASP 856 Cb 0.54 0.00 0.01 0.00 2.34 0.00 0.00 41.12 44.01 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 0.46 1.89 0.27 0.00 -1.98 -2.52 103.07 101.19 2ayx h GLY 857 Ca 0.00 -0.68 -0.15 0.00 0.00 0.00 0.00 47.33 46.50 2ayx h GLY 857 CO 0.00 0.61 -0.67 -0.39 0.00 0.00 0.00 176.54 176.09 2ayx h VAL 858 N 0.27 1.44 -0.29 4.60 -1.51 -1.96 -2.40 116.25 116.41 2ayx h VAL 858 Ca -0.04 -2.20 -0.17 0.00 -1.23 0.00 0.00 66.70 63.06 2ayx h VAL 858 Cb 1.37 2.17 -0.00 0.00 -2.13 0.00 0.00 31.29 32.70 2ayx h VAL 858 CO 0.13 0.64 -0.48 -0.78 -1.23 0.00 0.00 177.57 175.85 2ayx h ASP 859 N 0.08 0.85 -0.70 4.19 1.82 -1.93 -1.64 116.42 119.09 2ayx h ASP 859 Ca -0.01 -0.43 -0.01 0.00 -0.39 0.00 0.00 57.03 56.19 2ayx h ASP 859 Cb 1.19 -0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.92 2ayx h ASP 859 CO 0.09 1.19 0.40 0.00 -1.61 0.00 0.00 179.24 179.31 2ayx h ALA 860 N 0.84 0.90 -0.84 -0.78 0.00 -1.34 -0.92 119.26 117.11 2ayx h ALA 860 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2ayx h ALA 860 Cb 1.05 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2ayx h ALA 860 CO 0.10 0.39 0.55 -0.07 0.00 0.00 0.00 179.25 180.23 2ayx h LEU 861 N 0.96 0.97 -0.77 0.00 3.38 -1.22 -2.31 115.31 116.31 2ayx h LEU 861 Ca 0.25 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2ayx h LEU 861 Cb 0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 2ayx h LEU 861 CO -0.04 0.71 0.25 -1.13 0.09 0.00 0.00 178.44 178.31 2ayx h ASN 862 N 1.14 1.09 -0.05 -0.43 -1.24 -0.75 -2.40 115.58 112.93 2ayx h ASN 862 Ca 0.31 -0.20 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 2ayx h ASN 862 Cb -0.12 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.63 2ayx h ASN 862 CO -0.07 1.00 -0.18 1.62 -1.29 0.00 0.00 177.43 178.51 2ayx h VAL 863 N 1.12 1.24 -0.19 2.57 3.04 -0.68 -0.37 116.25 122.97 2ayx h VAL 863 Ca 0.25 -1.09 -0.13 0.00 -1.01 0.00 0.00 66.70 64.71 2ayx h VAL 863 Cb 0.29 1.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.82 2ayx h VAL 863 CO -0.01 0.35 -0.44 -0.07 -1.01 0.00 0.00 177.57 176.39 2ayx h LEU 864 N 0.39 0.51 -0.05 3.16 3.38 -1.19 0.32 115.31 121.83 2ayx h LEU 864 Ca 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2ayx h LEU 864 Cb 0.55 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2ayx h LEU 864 CO 0.04 0.89 -0.05 -1.20 0.09 0.00 0.00 178.44 178.20 2ayx n SER 865 N -4.01 0.13 -0.14 -0.43 7.64 -0.79 -3.57 113.62 112.46 2ayx n SER 865 Ca -0.02 -0.11 -0.25 0.00 1.01 0.00 0.00 58.87 59.51 2ayx n SER 865 Cb 0.53 -0.26 -0.11 0.00 -1.01 0.00 0.00 64.21 63.36 2ayx n SER 865 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ayx n LYS 866 N -1.27 0.62 0.00 1.43 5.02 -0.22 -5.04 118.16 118.69 2ayx n LYS 866 Ca 0.12 0.21 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2ayx n LYS 866 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2ayx n LYS 866 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2ayx n ASN 867 N -3.81 0.00 0.06 4.39 2.85 0.07 -5.09 115.26 113.73 2ayx n ASN 867 Ca -0.51 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 53.96 2ayx n ASN 867 Cb 0.93 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.95 2ayx n ASN 867 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2ayx n HIS 868 N 0.00 -2.94 -1.15 1.20 -0.00 -1.25 -4.84 115.22 106.23 2ayx n HIS 868 Ca 0.00 0.43 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 2ayx n HIS 868 Cb 0.00 1.41 0.00 0.00 -0.00 0.00 0.00 29.99 31.40 2ayx n HIS 868 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2ayx n ILE 869 N -2.70 -2.67 -0.08 3.57 5.41 -1.26 -4.69 119.36 116.94 2ayx n ILE 869 Ca 0.00 1.25 -0.16 0.00 1.00 0.00 0.00 62.75 64.85 2ayx n ILE 869 Cb 0.00 -1.95 -0.14 0.00 -0.71 0.00 0.00 39.64 36.85 2ayx n ILE 869 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2ayx n ASP 870 N -1.94 1.41 -3.89 4.38 9.92 -1.03 -4.95 116.55 120.45 2ayx n ASP 870 Ca 0.00 0.04 -0.17 0.00 -0.53 0.00 0.00 54.79 54.13 2ayx n ASP 870 Cb 0.26 -0.13 -0.15 0.00 -0.64 0.00 0.00 41.12 40.45 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2ayx s ILE 871 N -2.53 0.33 -0.23 0.53 1.09 -1.25 -4.15 121.20 114.98 2ayx s ILE 871 Ca -0.23 -0.07 -0.09 0.00 -1.10 0.00 0.00 60.65 59.16 2ayx s ILE 871 Cb 0.08 -0.35 -0.04 0.00 -1.06 0.00 0.00 42.46 41.08 2ayx s ILE 871 CO 0.72 0.14 0.13 -0.69 -0.10 0.00 0.00 174.94 175.14 2ayx s VAL 872 N 0.54 5.06 -0.49 2.92 1.01 -1.01 -2.55 120.40 125.88 2ayx s VAL 872 Ca -0.06 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 2ayx s VAL 872 Cb -0.09 -3.35 0.12 0.00 0.00 0.00 0.00 36.38 33.06 2ayx s VAL 872 CO -0.01 0.36 0.39 -0.76 0.00 0.00 0.00 175.10 175.08 2ayx s LEU 873 N 1.06 5.84 -0.69 3.92 1.43 -0.31 -0.66 118.68 129.27 2ayx s LEU 873 Ca 0.06 -1.88 -0.18 0.00 -1.03 0.00 0.00 54.13 51.11 2ayx s LEU 873 Cb -0.14 -2.07 0.14 0.00 0.03 0.00 0.00 46.19 44.15 2ayx s LEU 873 CO 0.04 -0.74 0.77 -0.44 0.23 0.00 0.00 176.35 176.21 2ayx s SER 874 N 2.94 6.38 -0.49 2.29 0.01 -0.87 -0.68 113.70 123.28 2ayx s SER 874 Ca 0.05 -1.83 -0.20 0.00 1.31 0.00 0.00 55.95 55.28 2ayx s SER 874 Cb -0.27 -2.29 0.05 0.00 0.21 0.00 0.00 66.02 63.71 2ayx s SER 874 CO 0.00 -0.97 0.64 -0.62 0.41 0.00 0.00 173.24 172.71 2ayx s ASP 875 N 3.32 6.25 -0.11 2.44 2.15 0.25 -0.72 116.67 130.26 2ayx s ASP 875 Ca 0.15 -0.71 -0.02 0.00 0.43 0.00 0.00 52.55 52.40 2ayx s ASP 875 Cb -0.19 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.10 2ayx s ASP 875 CO 0.00 -0.87 -0.03 -0.69 -0.17 0.00 0.00 175.17 173.41 2ayx s VAL 876 N 2.75 4.00 -0.48 1.11 1.01 -0.07 -2.14 120.40 126.58 2ayx s VAL 876 Ca 0.18 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.85 2ayx s VAL 876 Cb -0.17 -2.70 0.19 0.00 0.00 0.00 0.00 36.38 33.70 2ayx s VAL 876 CO 0.14 0.56 0.81 0.21 0.00 0.00 0.00 175.10 176.82 2ayx s ASN 877 N -0.34 -1.19 -0.05 3.32 3.04 -1.26 -3.27 114.94 115.18 2ayx s ASN 877 Ca 0.06 -1.40 -0.07 0.00 0.04 0.00 0.00 52.86 51.49 2ayx s ASN 877 Cb -0.12 1.56 0.02 0.00 -1.54 0.00 0.00 41.25 41.16 2ayx s ASN 877 CO 0.02 -0.04 0.19 0.00 -3.04 0.00 0.00 177.10 174.23 2ayx s MET 878 N 0.93 0.32 0.00 0.43 0.23 -1.26 -4.69 119.30 115.26 2ayx s MET 878 Ca 0.28 0.09 0.00 0.00 -1.03 0.00 0.00 55.69 55.03 2ayx s MET 878 Cb 0.03 0.14 0.00 0.00 -1.53 0.00 0.00 34.83 33.47 2ayx s MET 878 CO -0.06 -0.06 1.53 -2.30 -2.03 0.00 0.00 175.02 172.09 2ayx n PRO 879 N 2.51 0.79 -3.72 3.16 -0.02 -1.26 -4.68 135.00 131.78 2ayx n PRO 879 Ca -0.16 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.19 2ayx n PRO 879 Cb 0.58 -1.11 -0.14 0.00 -0.02 0.00 0.00 33.50 32.81 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 1.93 -0.03 -1.26 2.55 2.47 -1.26 -5.07 114.94 114.27 2ayx s ASN 880 Ca 0.00 0.45 -0.19 0.00 0.42 0.00 0.00 52.86 53.54 2ayx s ASN 880 Cb 0.00 0.37 0.01 0.00 -1.45 0.00 0.00 41.25 40.18 2ayx s ASN 880 CO 0.00 -0.18 1.84 1.15 -3.72 0.00 0.00 177.10 176.19 2ayx n MET 881 N 4.50 2.61 -0.30 0.43 0.00 -1.26 -4.69 117.12 118.42 2ayx n MET 881 Ca -0.21 -2.93 0.00 0.00 0.00 0.00 0.00 57.70 54.57 2ayx n MET 881 Cb 0.52 -3.54 0.11 0.00 0.00 0.00 0.00 33.22 30.32 2ayx n MET 881 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2ayx n ASP 882 N 10.09 2.63 -2.09 3.17 2.03 -1.26 -4.53 116.55 126.57 2ayx n ASP 882 Ca 0.48 -2.33 -0.09 0.00 0.52 0.00 0.00 54.79 53.37 2ayx n ASP 882 Cb 0.45 -0.57 -0.13 0.00 -0.72 0.00 0.00 41.12 40.16 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 0.16 2.55 2.12 0.27 0.00 -1.26 -3.09 105.19 105.93 2ayx n GLY 883 Ca 0.11 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.21 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 2.58 -3.57 0.04 1.61 9.36 -1.26 -4.86 117.16 121.06 2ayx n TYR 884 Ca 0.33 0.83 -0.11 0.00 3.32 0.00 0.00 57.90 62.26 2ayx n TYR 884 Cb 0.71 2.28 -0.06 0.00 -0.63 0.00 0.00 39.34 41.64 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 -0.09 0.11 2.98 1.12 -1.88 -0.43 114.38 116.20 2ayx h ARG 885 Ca 0.00 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.87 2ayx h ARG 885 Cb 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 29.97 29.98 2ayx h ARG 885 CO 0.00 -0.06 -0.05 1.25 -3.11 0.00 0.00 179.97 178.00 2ayx h LEU 886 N -0.09 -0.13 -0.16 3.80 5.85 -1.92 -2.33 115.31 120.33 2ayx h LEU 886 Ca 0.03 -0.42 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 2ayx h LEU 886 Cb 0.13 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 2ayx h LEU 886 CO -0.07 0.40 0.09 0.74 -0.34 0.00 0.00 178.44 179.27 2ayx h THR 887 N -0.72 1.07 -0.22 1.05 2.02 -1.77 -0.34 112.91 113.99 2ayx h THR 887 Ca -0.02 -0.18 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 2ayx h THR 887 Cb 0.54 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 2ayx h THR 887 CO 0.03 0.07 -0.13 1.56 0.37 0.00 0.00 175.52 177.41 2ayx h GLN 888 N 0.18 0.47 -0.18 6.66 1.08 -1.19 -2.71 115.11 119.42 2ayx h GLN 888 Ca 0.06 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2ayx h GLN 888 Cb 0.03 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.44 2ayx h GLN 888 CO -0.01 0.77 0.10 -0.09 -0.95 0.00 0.00 178.83 178.64 2ayx h ARG 889 N 0.18 0.24 -0.61 1.46 2.43 -1.28 0.28 114.38 117.07 2ayx h ARG 889 Ca 0.05 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 2ayx h ARG 889 Cb 0.64 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.11 2ayx h ARG 889 CO 0.04 0.23 0.28 0.97 -1.51 0.00 0.00 179.97 179.97 2ayx h ILE 890 N 0.19 1.22 0.00 1.20 2.10 -1.09 -1.12 117.51 120.02 2ayx h ILE 890 Ca 0.06 -0.65 -0.14 0.00 1.08 0.00 0.00 64.86 65.21 2ayx h ILE 890 Cb 0.06 0.51 -0.02 0.00 -1.09 0.00 0.00 36.82 36.28 2ayx h ILE 890 CO -0.01 0.26 -0.66 0.08 -1.08 0.00 0.00 178.15 176.74 2ayx h ARG 891 N 0.84 0.00 -0.22 2.19 0.11 -1.36 -1.50 114.38 114.44 2ayx h ARG 891 Ca 0.21 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 60.14 2ayx h ARG 891 Cb 0.15 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.22 2ayx h ARG 891 CO -0.02 0.66 -0.46 1.96 0.10 0.00 0.00 179.97 182.21 2ayx h GLN 892 N 0.00 0.57 -0.00 0.08 7.50 -0.49 -3.03 115.11 119.73 2ayx h GLN 892 Ca -0.01 -0.31 0.00 0.00 0.50 0.00 0.00 58.65 58.83 2ayx h GLN 892 Cb 1.28 0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.83 2ayx h GLN 892 CO 0.09 0.91 -0.06 1.28 -1.50 0.00 0.00 178.83 179.54 2ayx n LEU 893 N -4.00 0.41 0.00 1.46 4.32 -0.46 -4.88 117.00 113.84 2ayx n LEU 893 Ca -0.02 -0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.97 2ayx n LEU 893 Cb 0.55 -0.15 0.00 0.00 -1.62 0.00 0.00 43.42 42.20 2ayx n LEU 893 CO 0.46 0.07 0.00 0.61 -1.22 0.00 0.00 177.39 177.31 2ayx n GLY 894 N 1.22 1.92 3.61 -0.72 0.00 -1.14 -5.04 105.19 105.04 2ayx n GLY 894 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2ayx n GLY 894 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ayx s LEU 895 N 0.00 3.67 -0.47 0.99 2.96 -0.57 -4.88 118.68 120.37 2ayx s LEU 895 Ca 0.00 1.57 0.09 0.00 -0.22 0.00 0.00 54.13 55.57 2ayx s LEU 895 Cb 0.00 -3.53 0.35 0.00 0.50 0.00 0.00 46.19 43.51 2ayx s LEU 895 CO 0.00 -1.57 0.84 1.07 -1.32 0.00 0.00 176.35 175.37 2ayx n THR 896 N 7.06 1.44 -3.60 3.68 5.66 -1.26 -4.79 114.28 122.48 2ayx n THR 896 Ca 0.23 -5.05 -0.15 0.00 -3.05 0.00 0.00 64.05 56.03 2ayx n THR 896 Cb 0.46 -0.80 -0.06 0.00 -1.55 0.00 0.00 70.33 68.37 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2ayx s LEU 897 N -2.96 -0.07 -0.10 1.09 2.34 -1.26 -5.12 118.68 112.60 2ayx s LEU 897 Ca 0.44 0.36 -0.31 0.00 0.06 0.00 0.00 54.13 54.69 2ayx s LEU 897 Cb 0.32 2.07 -0.09 0.00 -0.56 0.00 0.00 46.19 47.93 2ayx s LEU 897 CO -0.11 -0.61 2.04 -0.81 -1.06 0.00 0.00 176.35 175.81 2ayx n PRO 898 N 0.82 2.30 -3.83 1.48 -0.04 -1.26 -4.88 135.00 129.59 2ayx n PRO 898 Ca -0.19 0.78 -0.36 0.00 -0.04 0.00 0.00 63.50 63.69 2ayx n PRO 898 Cb 0.58 -2.94 -0.11 0.00 -0.04 0.00 0.00 33.50 30.99 2ayx n PRO 898 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ayx s VAL 899 N 5.71 4.80 -0.47 0.52 1.01 -1.09 -2.40 120.40 128.48 2ayx s VAL 899 Ca 0.95 -0.02 -0.11 0.00 0.00 0.00 0.00 61.98 62.80 2ayx s VAL 899 Cb -0.50 -3.22 0.10 0.00 0.00 0.00 0.00 36.38 32.76 2ayx s VAL 899 CO 0.43 0.38 0.35 -0.63 0.00 0.00 0.00 175.10 175.63 2ayx s ILE 900 N 1.03 4.52 -0.41 2.22 1.01 0.16 -0.97 121.20 128.77 2ayx s ILE 900 Ca 0.05 -1.54 -0.26 0.00 0.00 0.00 0.00 60.65 58.90 2ayx s ILE 900 Cb -0.14 -3.87 0.02 0.00 0.01 0.00 0.00 42.46 38.49 2ayx s ILE 900 CO 0.03 -0.69 0.96 -0.83 0.00 0.00 0.00 174.94 174.42 2ayx s GLY 901 N 2.67 1.50 -0.32 6.18 0.00 0.30 -2.04 107.32 115.62 2ayx s GLY 901 Ca 0.04 -0.52 -0.10 0.00 0.00 0.00 0.00 44.72 44.14 2ayx s GLY 901 CO 0.02 2.09 0.17 0.54 0.00 0.00 0.00 173.10 175.91 2ayx s VAL 902 N 3.70 4.61 0.17 1.40 0.11 0.11 -1.04 120.40 129.46 2ayx s VAL 902 Ca 0.40 -0.50 0.11 0.00 -2.93 0.00 0.00 61.98 59.06 2ayx s VAL 902 Cb -0.11 -3.40 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 2ayx s VAL 902 CO 0.22 0.01 -0.25 -0.89 -3.33 0.00 0.00 175.10 170.86 2ayx s THR 903 N 1.60 2.34 -0.59 5.04 2.01 -0.08 -0.89 115.64 125.07 2ayx s THR 903 Ca 0.04 -1.93 -0.28 0.00 0.31 0.00 0.00 61.69 59.84 2ayx s THR 903 Cb -0.17 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.25 2ayx s THR 903 CO 0.06 -0.04 1.44 0.00 -0.69 0.00 0.00 174.62 175.39 2ayx s ALA 904 N -1.46 2.74 -0.46 7.40 0.00 -1.20 -0.47 121.76 128.29 2ayx s ALA 904 Ca 0.19 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 2ayx s ALA 904 Cb -0.09 -4.15 0.02 0.00 0.00 0.00 0.00 23.12 18.91 2ayx s ALA 904 CO 0.09 -3.08 0.62 0.09 0.00 0.00 0.00 175.76 173.47 2ayx n ASN 905 N 9.87 -7.68 0.03 0.00 5.03 -1.26 -4.92 115.26 116.34 2ayx n ASN 905 Ca 0.12 0.41 0.13 0.00 0.87 0.00 0.00 54.58 56.10 2ayx n ASN 905 Cb 0.49 -5.00 0.36 0.00 -1.02 0.00 0.00 39.78 34.62 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ayx n ALA 906 N -0.43 2.85 0.00 5.41 0.00 -1.26 -4.93 120.51 122.14 2ayx n ALA 906 Ca 0.09 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2ayx n ALA 906 Cb 0.49 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2ayx n ALA 906 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ayx n LEU 907 N -1.77 0.00 -3.34 0.00 4.77 -1.26 -4.25 117.00 111.15 2ayx n LEU 907 Ca 0.05 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.78 2ayx n LEU 907 Cb 0.38 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.39 2ayx n LEU 907 CO 0.32 0.00 -0.18 0.00 -1.33 0.00 0.00 177.39 176.21 2ayx n ALA 908 N 0.00 3.03 -0.20 -1.18 0.00 -1.26 -5.00 120.51 115.91 2ayx n ALA 908 Ca 0.00 -3.83 -0.03 0.00 0.00 0.00 0.00 53.44 49.58 2ayx n ALA 908 Cb 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 19.45 18.63 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 4.40 -0.11 -0.46 0.00 3.07 -1.94 0.76 114.58 120.30 2ayx h GLU 909 Ca 0.14 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 59.06 2ayx h GLU 909 Cb 0.81 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.70 2ayx h GLU 909 CO 0.57 -0.07 0.21 1.05 -1.40 0.00 0.00 179.01 179.37 2ayx h GLU 910 N -0.11 0.40 -0.44 2.33 9.09 -1.94 -1.13 114.58 122.77 2ayx h GLU 910 Ca 0.26 -0.02 -0.09 0.00 0.05 0.00 0.00 59.36 59.55 2ayx h GLU 910 Cb 0.52 -0.09 -0.02 0.00 -1.65 0.00 0.00 28.75 27.51 2ayx h GLU 910 CO -0.66 0.26 -0.11 -0.22 0.05 0.00 0.00 179.01 178.33 2ayx h LYS 911 N 0.41 0.79 -0.10 1.06 3.64 -1.67 -1.73 116.57 118.96 2ayx h LYS 911 Ca 0.21 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 2ayx h LYS 911 Cb 0.16 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2ayx h LYS 911 CO -0.18 0.87 -0.10 1.96 -2.27 0.00 0.00 179.45 179.73 2ayx h GLN 912 N 0.71 0.15 -0.50 1.90 7.50 -0.33 -1.82 115.11 122.73 2ayx h GLN 912 Ca 0.12 -0.03 -0.11 0.00 0.50 0.00 0.00 58.65 59.13 2ayx h GLN 912 Cb 0.60 -0.02 -0.02 0.00 0.05 0.00 0.00 27.48 28.09 2ayx h GLN 912 CO 0.04 0.27 -0.13 -0.09 -1.50 0.00 0.00 178.83 177.42 2ayx h ARG 913 N 0.15 0.93 0.00 1.46 2.43 -0.33 -2.00 114.38 117.03 2ayx h ARG 913 Ca 0.03 -0.34 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 2ayx h ARG 913 Cb 0.28 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.77 2ayx h ARG 913 CO 0.02 1.00 -0.14 0.00 -1.51 0.00 0.00 179.97 179.34 2ayx h LEU 915 N 0.00 0.03 0.01 0.00 5.85 -0.92 -3.36 115.31 116.91 2ayx h LEU 915 Ca -0.00 -0.55 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 2ayx h LEU 915 Cb 0.28 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2ayx h LEU 915 CO 0.02 0.58 -0.00 1.05 -0.34 0.00 0.00 178.44 179.74 2ayx h GLU 916 N -0.51 -0.01 -6.49 1.25 -0.00 -1.10 -3.47 114.58 104.25 2ayx h GLU 916 Ca 0.00 0.00 -0.51 0.00 -0.00 0.00 0.00 59.36 58.85 2ayx h GLU 916 Cb 0.57 0.00 -0.11 0.00 -0.00 0.00 0.00 28.75 29.22 2ayx h GLU 916 CO 0.00 0.68 -0.80 0.43 -0.00 0.00 0.00 179.01 179.33 2ayx n SER 917 N -4.76 -3.87 0.00 3.06 7.64 0.23 -4.82 113.62 111.11 2ayx n SER 917 Ca -0.09 -0.89 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2ayx n SER 917 Cb 0.34 -3.39 0.00 0.00 -1.01 0.00 0.00 64.21 60.15 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 -1.58 0.00 0.00 0.23 0.00 -1.26 -5.02 105.19 97.56 2ayx n GLY 918 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.70 0.00 0.00 1.61 2.81 -1.26 -4.88 117.12 114.70 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 0.07 -0.10 0.00 0.00 -0.71 0.00 0.00 33.22 32.49 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 -0.18 0.00 -4.24 7.83 2.03 -0.57 -2.67 116.55 118.75 2ayx n ASP 920 Ca 0.00 0.00 -0.17 0.00 0.52 0.00 0.00 54.79 55.14 2ayx n ASP 920 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2ayx s SER 921 N 0.00 1.26 -0.07 1.67 0.01 -0.14 -4.97 113.70 111.46 2ayx s SER 921 Ca 0.00 -1.43 -0.14 0.00 1.31 0.00 0.00 55.95 55.70 2ayx s SER 921 Cb 0.00 0.22 0.03 0.00 0.21 0.00 0.00 66.02 66.48 2ayx s SER 921 CO 0.00 -0.77 0.33 0.00 0.41 0.00 0.00 173.24 173.21 2ayx n LEU 923 N 2.01 0.00 -4.80 0.00 4.77 -0.20 -4.86 117.00 113.92 2ayx n LEU 923 Ca -0.18 -2.10 -0.34 0.00 -0.03 0.00 0.00 56.01 53.37 2ayx n LEU 923 Cb 0.57 1.61 -0.07 0.00 -2.33 0.00 0.00 43.42 43.20 2ayx n LEU 923 CO 0.19 -0.44 -0.23 -0.44 -1.33 0.00 0.00 177.39 175.14 2ayx s SER 924 N -2.58 5.81 0.20 -1.43 0.01 -1.26 -0.90 113.70 113.55 2ayx s SER 924 Ca 0.23 0.21 -0.10 0.00 1.31 0.00 0.00 55.95 57.59 2ayx s SER 924 Cb -0.00 -1.71 0.25 0.00 0.21 0.00 0.00 66.02 64.76 2ayx s SER 924 CO 0.17 0.29 1.75 0.50 0.41 0.00 0.00 173.24 176.36 2ayx h LYS 925 N 4.23 0.40 -4.69 12.44 3.64 -1.03 -3.26 116.57 128.30 2ayx h LYS 925 Ca -0.50 -0.02 -0.59 0.00 -1.27 0.00 0.00 60.65 58.27 2ayx h LYS 925 Cb 1.19 -0.09 0.04 0.00 -0.41 0.00 0.00 32.23 32.96 2ayx h LYS 925 CO 0.62 0.26 2.02 -2.30 -2.27 0.00 0.00 179.45 177.79 2ayx n PRO 926 N -4.98 1.46 -3.60 1.90 -0.02 -1.26 -4.92 135.00 123.57 2ayx n PRO 926 Ca 0.08 -1.93 -0.37 0.00 -2.02 0.00 0.00 63.50 59.25 2ayx n PRO 926 Cb 0.25 -3.06 -0.06 0.00 -0.02 0.00 0.00 33.50 30.61 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 6.26 5.15 0.37 -1.45 0.11 -1.23 -5.09 120.40 124.52 2ayx s VAL 927 Ca 0.60 0.63 -0.01 0.00 -2.93 0.00 0.00 61.98 60.27 2ayx s VAL 927 Cb 0.12 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 31.30 2ayx s VAL 927 CO 0.13 0.55 0.60 0.42 -3.33 0.00 0.00 175.10 173.47 2ayx s THR 928 N -1.11 5.05 0.25 5.04 -4.23 -1.26 -4.91 115.64 114.47 2ayx s THR 928 Ca 0.23 -0.27 -0.03 0.00 -1.18 0.00 0.00 61.69 60.44 2ayx s THR 928 Cb -0.15 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 70.06 2ayx s THR 928 CO 0.12 -0.61 1.76 0.25 -0.54 0.00 0.00 174.62 175.60 2ayx h LEU 929 N 0.70 0.46 -0.92 4.79 7.12 -1.99 0.39 115.31 125.87 2ayx h LEU 929 Ca -0.49 0.09 -0.06 0.00 0.13 0.00 0.00 57.88 57.55 2ayx h LEU 929 Cb 1.21 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 41.33 2ayx h LEU 929 CO 0.62 0.21 0.10 -0.78 -0.13 0.00 0.00 178.44 178.46 2ayx h ASP 930 N 0.59 0.84 -0.01 1.25 1.82 -1.99 -1.01 116.42 117.92 2ayx h ASP 930 Ca 0.42 -0.17 -0.08 0.00 -0.39 0.00 0.00 57.03 56.82 2ayx h ASP 930 Cb 0.57 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 40.37 2ayx h ASP 930 CO -0.35 0.85 -0.29 0.58 -1.61 0.00 0.00 179.24 178.42 2ayx h VAL 931 N 0.85 1.52 -0.77 2.25 2.07 -1.64 -1.96 116.25 118.57 2ayx h VAL 931 Ca 0.18 -1.94 -0.05 0.00 0.82 0.00 0.00 66.70 65.71 2ayx h VAL 931 Cb 0.36 2.72 -0.03 0.00 -1.52 0.00 0.00 31.29 32.81 2ayx h VAL 931 CO 0.01 0.54 0.28 -0.29 0.02 0.00 0.00 177.57 178.12 2ayx h ILE 932 N -0.44 1.26 -0.13 4.57 -0.00 -0.92 0.25 117.51 122.12 2ayx h ILE 932 Ca -0.03 -0.87 -0.01 0.00 -0.00 0.00 0.00 64.86 63.95 2ayx h ILE 932 Cb 1.03 0.37 -0.01 0.00 -0.00 0.00 0.00 36.82 38.22 2ayx h ILE 932 CO 0.06 0.35 0.05 0.50 -0.00 0.00 0.00 178.15 179.11 2ayx h LYS 933 N 1.14 0.19 -0.06 2.19 3.11 -1.24 -1.34 116.57 120.55 2ayx h LYS 933 Ca 0.25 -0.03 -0.00 0.00 -2.81 0.00 0.00 60.65 58.06 2ayx h LYS 933 Cb 0.26 -0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 31.46 2ayx h LYS 933 CO -0.02 0.27 0.03 0.37 -2.81 0.00 0.00 179.45 177.29 2ayx h GLN 934 N 0.06 0.08 -0.40 1.90 4.15 -1.06 -0.67 115.11 119.17 2ayx h GLN 934 Ca 0.04 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 2ayx h GLN 934 Cb 0.15 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2ayx h GLN 934 CO -0.00 0.17 0.13 1.15 -1.93 0.00 0.00 178.83 178.35 2ayx h THR 935 N -0.03 1.21 -0.18 2.39 2.02 -0.94 0.57 112.91 117.94 2ayx h THR 935 Ca 0.02 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 2ayx h THR 935 Cb 0.12 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2ayx h THR 935 CO -0.00 0.24 0.06 -0.07 0.37 0.00 0.00 175.52 176.12 2ayx h LEU 936 N 0.50 0.26 -0.32 2.58 4.07 -1.17 -0.50 115.31 120.72 2ayx h LEU 936 Ca 0.13 -0.20 -0.02 0.00 0.08 0.00 0.00 57.88 57.87 2ayx h LEU 936 Cb 0.25 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 2ayx h LEU 936 CO -0.01 0.39 0.13 0.74 -1.08 0.00 0.00 178.44 178.61 2ayx h THR 937 N 0.12 1.18 -0.51 0.22 2.02 -1.02 -0.22 112.91 114.70 2ayx h THR 937 Ca 0.06 -0.57 -0.04 0.00 0.77 0.00 0.00 66.41 66.63 2ayx h THR 937 Cb 0.22 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 2ayx h THR 937 CO -0.00 0.20 0.16 0.25 0.37 0.00 0.00 175.52 176.50 2ayx h LEU 938 N 0.38 0.75 -0.49 2.58 7.12 -0.80 -0.29 115.31 124.56 2ayx h LEU 938 Ca 0.11 -0.21 -0.17 0.00 0.13 0.00 0.00 57.88 57.74 2ayx h LEU 938 Cb 0.19 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.11 2ayx h LEU 938 CO -0.01 0.76 -0.73 1.88 -0.13 0.00 0.00 178.44 180.21 2ayx h TYR 939 N 0.70 0.28 -0.16 1.25 -1.99 -1.00 -0.08 116.97 115.97 2ayx h TYR 939 Ca 0.17 -0.13 -0.06 0.00 2.00 0.00 0.00 58.73 60.71 2ayx h TYR 939 Cb 0.27 -0.04 -0.00 0.00 2.00 0.00 0.00 36.73 38.96 2ayx h TYR 939 CO 0.02 0.86 -0.14 0.00 -0.00 0.00 0.00 178.16 178.89 2ayx h ALA 940 N 1.10 0.24 0.00 3.88 0.00 -0.86 -2.59 119.26 121.03 2ayx h ALA 940 Ca -0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 2ayx h ALA 940 Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2ayx h ALA 940 CO 0.11 0.12 -0.20 1.05 0.00 0.00 0.00 179.25 180.33 2ayx h GLU 941 N 0.03 0.00 -0.10 0.00 4.11 -1.02 -1.52 114.58 116.08 2ayx h GLU 941 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.44 2ayx h GLU 941 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2ayx h GLU 941 CO 0.04 0.20 0.00 -0.09 0.07 0.00 0.00 179.01 179.23 2ayx h ARG 942 N 0.00 0.17 -0.01 1.06 2.43 -0.83 0.38 114.38 117.57 2ayx h ARG 942 Ca -0.00 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.98 2ayx h ARG 942 Cb 0.67 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2ayx h ARG 942 CO 0.03 0.42 -0.64 -0.39 -1.51 0.00 0.00 179.97 177.88 2ayx h VAL 943 N -0.11 1.45 -0.11 0.20 -1.51 -1.36 -1.95 116.25 112.87 2ayx h VAL 943 Ca 0.03 -2.16 -0.00 0.00 -1.23 0.00 0.00 66.70 63.33 2ayx h VAL 943 Cb 0.34 2.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.66 2ayx h VAL 943 CO 0.00 0.62 0.05 0.03 -1.23 0.00 0.00 177.57 177.04 2ayx h ARG 944 N 0.03 0.15 0.00 5.19 3.08 -1.11 -1.05 114.38 120.66 2ayx h ARG 944 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2ayx h ARG 944 Cb 1.13 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2ayx h ARG 944 CO 0.09 0.24 0.00 1.57 -1.07 0.00 0.00 179.97 180.79 2ayx h LYS 945 N 0.03 0.00 0.00 0.04 2.10 -0.86 0.68 116.57 118.57 2ayx h LYS 945 Ca 0.04 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.55 2ayx h LYS 945 Cb 0.14 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.45 2ayx h LYS 945 CO -0.00 0.00 -0.65 0.77 -2.00 0.00 0.00 179.45 177.56 2ayx h SER 946 N 0.00 0.00 0.32 7.07 0.02 -0.97 -3.17 113.55 116.82 2ayx h SER 946 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2ayx h SER 946 Cb 0.58 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.14 2ayx h SER 946 CO 0.00 0.65 -1.55 0.03 -1.14 0.00 0.00 176.83 174.82 2ayx h ARG 947 N 0.00 0.41 0.00 3.45 -0.00 -0.44 -3.46 114.38 114.34 2ayx h ARG 947 Ca -0.01 -0.69 0.00 0.00 -0.50 0.00 0.00 59.98 58.78 2ayx h ARG 947 Cb 1.47 0.26 0.00 0.00 0.00 0.00 0.00 29.97 31.70 2ayx h ARG 947 CO 0.09 1.31 0.00 -3.47 0.00 0.00 0.00 179.97 177.90 2ayx n ASP 948 N -3.60 0.00 0.00 7.04 -0.08 0.16 -5.11 116.55 114.97 2ayx n ASP 948 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 2ayx n ASP 948 Cb 1.08 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.54 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12