#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx s GLY 697 N 0.00 0.15 -1.10 3.03 0.00 -1.26 -5.07 107.32 103.08 2ayx s GLY 697 Ca 0.00 -1.06 -0.13 0.00 0.00 0.00 0.00 44.72 43.54 2ayx s GLY 697 CO 0.00 2.57 1.22 -0.32 0.00 0.00 0.00 173.10 176.56 2ayx s GLY 698 N 1.53 2.65 -0.28 0.20 0.00 -1.26 -4.89 107.32 105.27 2ayx s GLY 698 Ca 0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 44.72 41.42 2ayx s GLY 698 CO -0.08 1.72 0.30 -0.56 0.00 0.00 0.00 173.10 174.47 2ayx s SER 699 N 2.36 1.53 -0.33 1.64 0.01 -1.26 -5.00 113.70 112.65 2ayx s SER 699 Ca 0.35 -0.63 0.17 0.00 1.31 0.00 0.00 55.95 57.14 2ayx s SER 699 Cb -0.06 0.55 0.45 0.00 0.21 0.00 0.00 66.02 67.17 2ayx s SER 699 CO -0.05 -0.38 1.00 0.61 0.41 0.00 0.00 173.24 174.83 2ayx n GLY 700 N 5.32 1.49 2.91 3.44 0.00 -1.26 -5.09 105.19 112.00 2ayx n GLY 700 Ca -0.02 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.71 2ayx n GLY 700 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ayx s VAL 701 N -2.75 -0.02 -1.26 1.61 -7.23 -1.26 -5.07 120.40 104.41 2ayx s VAL 701 Ca 0.26 0.09 -0.16 0.00 -1.81 0.00 0.00 61.98 60.36 2ayx s VAL 701 Cb 0.45 -0.14 0.11 0.00 0.56 0.00 0.00 36.38 37.36 2ayx s VAL 701 CO 0.03 0.04 1.63 -1.61 -0.31 0.00 0.00 175.10 174.87 2ayx s GLU 702 N 0.53 4.03 0.22 4.82 0.41 -1.26 -4.66 118.70 122.79 2ayx s GLU 702 Ca -0.04 -2.22 -0.08 0.00 -0.41 0.00 0.00 54.97 52.22 2ayx s GLU 702 Cb -0.06 -5.36 0.34 0.00 -1.78 0.00 0.00 34.13 27.27 2ayx s GLU 702 CO -0.02 -2.08 1.71 0.78 -0.49 0.00 0.00 175.26 175.17 2ayx h GLY 703 N 11.50 0.87 0.00 -1.39 0.00 -1.86 -3.42 103.07 108.77 2ayx h GLY 703 Ca 0.40 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.67 2ayx h GLY 703 CO 1.38 -0.11 0.00 1.47 0.00 0.00 0.00 176.54 179.28 2ayx n LEU 704 N -5.09 0.00 0.00 3.11 -0.00 -1.19 -4.42 117.00 109.41 2ayx n LEU 704 Ca 0.10 0.00 0.14 0.00 -0.00 0.00 0.00 56.01 56.25 2ayx n LEU 704 Cb 0.35 0.26 -0.03 0.00 -0.00 0.00 0.00 43.42 43.99 2ayx n LEU 704 CO 0.17 -0.44 -0.19 -1.20 -0.00 0.00 0.00 177.39 175.73 2ayx n SER 705 N -2.39 -7.40 -0.57 1.45 7.64 -1.07 -4.86 113.62 106.43 2ayx n SER 705 Ca 0.00 1.09 -0.07 0.00 1.01 0.00 0.00 58.87 60.89 2ayx n SER 705 Cb 0.00 -3.08 -0.03 0.00 -1.01 0.00 0.00 64.21 60.09 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 -2.98 0.87 3.41 0.23 0.00 -1.21 -4.90 105.19 100.60 2ayx n GLY 706 Ca 0.01 -0.24 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.30 1.63 -0.21 1.61 -0.14 -1.26 -5.05 119.74 114.01 2ayx s LYS 707 Ca 0.00 -1.23 -0.05 0.00 -1.36 0.00 0.00 55.97 53.33 2ayx s LYS 707 Cb 0.00 -1.99 -0.02 0.00 -1.68 0.00 0.00 37.83 34.14 2ayx s LYS 707 CO 0.00 0.48 -0.01 1.03 -0.76 0.00 0.00 175.35 176.09 2ayx s ARG 708 N -1.84 3.55 -0.35 1.68 0.52 -1.26 -1.77 118.95 119.47 2ayx s ARG 708 Ca 0.14 -0.55 -0.12 0.00 -0.52 0.00 0.00 55.73 54.68 2ayx s ARG 708 Cb -0.10 -3.07 -0.00 0.00 0.52 0.00 0.00 34.95 32.29 2ayx s ARG 708 CO 0.06 -0.06 0.22 0.00 0.02 0.00 0.00 175.30 175.54 2ayx s TRP 710 N 1.66 3.16 -0.16 0.00 0.52 -0.69 -0.89 118.94 122.54 2ayx s TRP 710 Ca 0.05 0.46 -0.01 0.00 0.02 0.00 0.00 56.10 56.62 2ayx s TRP 710 Cb -0.18 -3.15 -0.01 0.00 -1.15 0.00 0.00 33.47 28.98 2ayx s TRP 710 CO 0.09 -0.61 -0.12 -1.17 0.02 0.00 0.00 176.95 175.16 2ayx s LEU 711 N 2.76 2.63 -0.32 2.99 0.20 0.09 -0.34 118.68 126.69 2ayx s LEU 711 Ca 0.26 -0.42 0.11 0.00 0.69 0.00 0.00 54.13 54.78 2ayx s LEU 711 Cb -0.14 -1.61 0.46 0.00 -0.43 0.00 0.00 46.19 44.47 2ayx s LEU 711 CO 0.14 0.08 1.13 0.00 -0.29 0.00 0.00 176.35 177.42 2ayx n ALA 712 N 4.07 4.35 -2.76 5.97 0.00 -0.14 -1.76 120.51 130.24 2ayx n ALA 712 Ca -0.19 -3.63 -0.36 0.00 0.00 0.00 0.00 53.44 49.26 2ayx n ALA 712 Cb 0.52 -0.55 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 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 -4.50 5.40 -0.20 0.00 1.01 -1.26 -1.70 120.40 119.16 2ayx s VAL 713 Ca 0.43 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.82 2ayx s VAL 713 Cb 0.39 -3.50 -0.22 0.00 0.00 0.00 0.00 36.38 33.06 2ayx s VAL 713 CO -0.03 0.49 0.05 0.54 0.00 0.00 0.00 175.10 176.16 2ayx n ARG 714 N 2.94 0.68 -2.17 2.72 3.00 -1.26 -4.81 116.66 117.76 2ayx n ARG 714 Ca -0.16 0.09 -0.42 0.00 -0.01 0.00 0.00 57.85 57.35 2ayx n ARG 714 Cb 0.53 -1.56 -0.03 0.00 0.00 0.00 0.00 32.46 31.40 2ayx n ARG 714 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 2ayx s ASN 715 N -6.01 6.79 0.26 0.55 3.84 -1.26 -4.91 114.94 114.21 2ayx s ASN 715 Ca -0.19 2.10 -0.03 0.00 0.21 0.00 0.00 52.86 54.95 2ayx s ASN 715 Cb 0.07 -2.55 0.33 0.00 -0.55 0.00 0.00 41.25 38.55 2ayx s ASN 715 CO 0.75 -0.80 1.79 0.00 -2.79 0.00 0.00 177.10 176.05 2ayx h ALA 716 N 8.48 1.14 -0.36 1.71 0.00 -1.98 0.17 119.26 128.42 2ayx h ALA 716 Ca -0.36 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 2ayx h ALA 716 Cb 1.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2ayx h ALA 716 CO 0.93 0.57 0.15 0.77 0.00 0.00 0.00 179.25 181.68 2ayx h SER 717 N 0.85 0.49 -0.01 0.00 0.02 -1.99 -0.48 113.55 112.43 2ayx h SER 717 Ca 0.18 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2ayx h SER 717 Cb 0.34 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 2ayx h SER 717 CO 0.00 0.51 -0.01 0.25 -1.14 0.00 0.00 176.83 176.45 2ayx h LEU 718 N 0.43 0.03 0.07 5.07 6.46 -1.75 -2.65 115.31 122.97 2ayx h LEU 718 Ca 0.12 -0.45 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2ayx h LEU 718 Cb 0.18 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.10 2ayx h LEU 718 CO -0.01 0.47 -0.03 0.00 -0.62 0.00 0.00 178.44 178.24 2ayx h GLN 720 N -0.45 1.22 0.26 0.00 5.75 -1.20 0.41 115.11 121.10 2ayx h GLN 720 Ca -0.01 -0.08 0.01 0.00 -0.15 0.00 0.00 58.65 58.41 2ayx h GLN 720 Cb 0.39 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.64 2ayx h GLN 720 CO 0.02 0.82 -0.32 0.35 -2.65 0.00 0.00 178.83 177.05 2ayx h PHE 721 N 1.25 -0.86 -0.16 3.99 3.04 -1.40 -0.49 116.94 122.31 2ayx h PHE 721 Ca 0.33 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 62.25 2ayx h PHE 721 Cb -0.12 0.34 -0.00 0.00 2.56 0.00 0.00 35.95 38.73 2ayx h PHE 721 CO 0.00 -0.45 -0.08 -0.07 -2.02 0.00 0.00 178.31 175.69 2ayx h LEU 722 N -0.63 0.36 -0.41 0.59 3.38 -1.24 -2.66 115.31 114.70 2ayx h LEU 722 Ca -0.00 -0.42 -0.04 0.00 0.09 0.00 0.00 57.88 57.51 2ayx h LEU 722 Cb 0.60 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2ayx h LEU 722 CO -0.10 0.69 0.10 1.05 0.09 0.00 0.00 178.44 180.27 2ayx h GLU 723 N 0.02 0.66 -0.37 1.13 -0.00 -0.86 0.54 114.58 115.71 2ayx h GLU 723 Ca 0.04 -0.16 -0.11 0.00 -0.00 0.00 0.00 59.36 59.13 2ayx h GLU 723 Cb 0.56 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.21 2ayx h GLU 723 CO 0.02 0.68 -0.20 1.15 -0.00 0.00 0.00 179.01 180.66 2ayx h THR 724 N 0.53 1.27 -0.03 -1.06 2.02 -1.15 -1.55 112.91 112.93 2ayx h THR 724 Ca 0.13 -1.28 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 2ayx h THR 724 Cb 0.32 1.20 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2ayx h THR 724 CO 0.00 0.43 -0.04 0.28 0.37 0.00 0.00 175.52 176.55 2ayx h SER 725 N 0.62 0.09 -0.20 4.18 0.02 -1.17 -3.20 113.55 113.89 2ayx h SER 725 Ca 0.09 -0.53 -0.13 0.00 -0.84 0.00 0.00 61.79 60.39 2ayx h SER 725 Cb 0.68 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 2ayx h SER 725 CO 0.05 0.60 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.97 2ayx h LEU 726 N -0.42 0.73 -1.93 5.07 3.38 -0.87 -2.32 115.31 118.95 2ayx h LEU 726 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2ayx h LEU 726 Cb 0.58 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2ayx h LEU 726 CO 0.01 0.99 0.00 0.06 0.09 0.00 0.00 178.44 179.59 2ayx h GLN 727 N 0.60 0.00 0.00 1.13 -0.00 -1.37 -0.38 115.11 115.09 2ayx h GLN 727 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.72 2ayx h GLN 727 Cb 0.82 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.30 2ayx h GLN 727 CO 0.07 0.00 0.00 0.54 -0.00 0.00 0.00 178.83 179.44 2ayx n ARG 728 N -2.92 0.06 -0.25 0.06 1.74 -0.87 -2.22 116.66 112.26 2ayx n ARG 728 Ca -0.01 0.18 0.10 0.00 -0.77 0.00 0.00 57.85 57.35 2ayx n ARG 728 Cb 0.19 -1.59 0.23 0.00 -1.02 0.00 0.00 32.46 30.27 2ayx n ARG 728 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2ayx n SER 729 N -1.70 3.43 0.00 0.55 7.64 -0.16 -4.65 113.62 118.73 2ayx n SER 729 Ca 0.05 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 57.96 2ayx n SER 729 Cb 0.27 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 1.25 0.73 3.71 0.23 0.00 -0.94 -2.58 105.19 107.58 2ayx n GLY 730 Ca 0.19 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 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 5.13 -0.33 -0.61 -1.09 -1.16 -3.32 121.20 117.83 2ayx s ILE 731 Ca 0.00 1.09 -0.21 0.00 -2.23 0.00 0.00 60.65 59.30 2ayx s ILE 731 Cb 0.00 -3.88 -0.00 0.00 -1.58 0.00 0.00 42.46 37.00 2ayx s ILE 731 CO 0.00 0.28 0.66 0.54 -1.23 0.00 0.00 174.94 175.19 2ayx s VAL 732 N 0.86 4.88 0.06 2.92 0.11 -0.73 -3.76 120.40 124.75 2ayx s VAL 732 Ca 0.29 0.76 -0.22 0.00 -2.93 0.00 0.00 61.98 59.87 2ayx s VAL 732 Cb -0.16 -4.07 -0.06 0.00 -1.53 0.00 0.00 36.38 30.56 2ayx s VAL 732 CO 0.12 -0.26 0.67 -0.69 -3.33 0.00 0.00 175.10 171.62 2ayx s VAL 733 N 2.73 4.70 -0.03 2.04 1.01 -1.26 -0.88 120.40 128.71 2ayx s VAL 733 Ca 0.26 1.44 -0.02 0.00 0.00 0.00 0.00 61.98 63.66 2ayx s VAL 733 Cb -0.14 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.23 2ayx s VAL 733 CO 0.14 0.46 0.06 -0.89 0.00 0.00 0.00 175.10 174.87 2ayx s THR 734 N -0.58 -0.01 -0.14 3.92 2.01 -0.07 -4.94 115.64 115.82 2ayx s THR 734 Ca 0.34 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.10 2ayx s THR 734 Cb -0.20 -0.10 -0.05 0.00 0.01 0.00 0.00 72.50 72.16 2ayx s THR 734 CO 0.21 0.02 1.73 -0.89 -0.69 0.00 0.00 174.62 175.01 2ayx s THR 735 N 0.32 3.51 -1.25 -0.82 2.01 -1.26 -0.73 115.64 117.42 2ayx s THR 735 Ca -0.02 0.59 -0.16 0.00 0.31 0.00 0.00 61.69 62.41 2ayx s THR 735 Cb -0.04 -3.47 0.13 0.00 0.01 0.00 0.00 72.50 69.13 2ayx s THR 735 CO -0.01 -0.16 1.57 -0.47 -0.69 0.00 0.00 174.62 174.87 2ayx s TYR 736 N 5.08 3.19 0.11 4.92 5.04 -0.72 -4.68 117.35 130.28 2ayx s TYR 736 Ca 0.77 -1.92 0.08 0.00 -2.44 0.00 0.00 57.07 53.56 2ayx s TYR 736 Cb -0.30 -4.51 -0.10 0.00 0.35 0.00 0.00 41.96 37.39 2ayx s TYR 736 CO 0.31 -1.58 1.34 0.93 -1.34 0.00 0.00 175.55 175.22 2ayx h GLU 737 N 7.32 0.00 0.00 4.97 5.08 -1.91 -3.46 114.58 126.59 2ayx h GLU 737 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2ayx h GLU 737 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2ayx h GLU 737 CO 1.34 0.89 0.00 0.41 -1.00 0.00 0.00 179.01 180.66 2ayx n GLY 738 N 1.19 -0.69 0.00 -3.84 0.00 -1.26 -5.17 105.19 95.42 2ayx n GLY 738 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2ayx n GLY 738 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayx n GLN 739 N 0.00 0.00 -4.71 1.61 0.00 -1.26 -5.11 117.38 107.91 2ayx n GLN 739 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 57.00 56.67 2ayx n GLN 739 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.11 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 3.00 3.12 -0.15 2.61 0.41 -1.26 -5.10 118.70 121.32 2ayx s GLU 740 Ca 0.00 -0.63 -0.22 0.00 -0.41 0.00 0.00 54.97 53.71 2ayx s GLU 740 Cb 0.00 -2.62 -0.03 0.00 -1.78 0.00 0.00 34.13 29.71 2ayx s GLU 740 CO 0.00 0.40 0.67 -1.25 -0.49 0.00 0.00 175.26 174.58 2ayx s PRO 741 N -0.11 4.30 -0.21 0.39 0.05 -1.26 -5.06 135.00 133.09 2ayx s PRO 741 Ca -0.00 0.73 -0.15 0.00 0.05 0.00 0.00 61.00 61.63 2ayx s PRO 741 Cb -0.13 -3.53 -0.04 0.00 0.05 0.00 0.00 34.50 30.84 2ayx s PRO 741 CO 0.03 -0.14 0.34 0.95 0.05 0.00 0.00 177.00 178.24 2ayx s THR 742 N 1.54 5.24 -1.06 1.26 -4.23 -1.26 -4.88 115.64 112.24 2ayx s THR 742 Ca 0.32 0.58 0.06 0.00 -1.18 0.00 0.00 61.69 61.47 2ayx s THR 742 Cb -0.16 -3.67 0.06 0.00 1.34 0.00 0.00 72.50 70.06 2ayx s THR 742 CO 0.13 0.27 1.18 -0.81 -0.54 0.00 0.00 174.62 174.85 2ayx n PRO 743 N 4.44 0.01 0.00 3.99 -0.04 -1.26 -0.98 135.00 141.16 2ayx n PRO 743 Ca -0.10 0.37 0.08 0.00 -0.04 0.00 0.00 63.50 63.81 2ayx n PRO 743 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.47 1.64 -4.39 0.54 -0.58 -1.26 -2.13 120.64 112.99 2ayx n GLU 744 Ca 0.02 -0.48 -0.26 0.00 -0.42 0.00 0.00 57.16 56.02 2ayx n GLU 744 Cb 0.07 -1.29 -0.09 0.00 -0.57 0.00 0.00 31.44 29.56 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 -2.21 4.09 0.10 1.62 1.01 -0.15 -4.72 116.67 116.41 2ayx s ASP 745 Ca 0.11 -1.14 0.10 0.00 0.71 0.00 0.00 52.55 52.33 2ayx s ASP 745 Cb 0.13 -0.46 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 2ayx s ASP 745 CO 0.53 -0.35 -0.24 0.68 0.21 0.00 0.00 175.17 175.99 2ayx s VAL 746 N -2.60 2.40 -0.29 -1.27 -7.23 -1.25 -0.85 120.40 109.31 2ayx s VAL 746 Ca 0.36 -1.57 -0.07 0.00 -1.81 0.00 0.00 61.98 58.89 2ayx s VAL 746 Cb 0.04 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.95 2ayx s VAL 746 CO 0.19 0.18 0.09 -0.22 -0.31 0.00 0.00 175.10 175.03 2ayx s LEU 747 N -1.83 3.85 -0.45 1.32 0.20 -0.15 -1.71 118.68 119.92 2ayx s LEU 747 Ca 0.14 -0.67 -0.16 0.00 0.69 0.00 0.00 54.13 54.13 2ayx s LEU 747 Cb -0.10 -1.89 0.05 0.00 -0.43 0.00 0.00 46.19 43.81 2ayx s LEU 747 CO 0.06 -0.18 0.40 -0.63 -0.29 0.00 0.00 176.35 175.70 2ayx s ILE 748 N 1.51 5.18 0.25 6.68 1.01 0.54 -0.31 121.20 136.07 2ayx s ILE 748 Ca 0.03 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.98 2ayx s ILE 748 Cb -0.17 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2ayx s ILE 748 CO 0.03 -0.49 0.30 0.42 0.00 0.00 0.00 174.94 175.19 2ayx s THR 749 N 1.84 4.78 -0.14 2.92 -4.23 -0.26 -0.97 115.64 119.57 2ayx s THR 749 Ca 0.07 -1.18 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2ayx s THR 749 Cb -0.21 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.04 2ayx s THR 749 CO 0.09 -0.32 -0.15 -0.62 -0.54 0.00 0.00 174.62 173.08 2ayx s ASP 750 N -3.94 2.68 0.76 3.99 2.15 -0.69 -0.70 116.67 120.93 2ayx s ASP 750 Ca 0.35 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.84 2ayx s ASP 750 Cb -0.08 -1.19 0.00 0.00 -0.30 0.00 0.00 42.92 41.34 2ayx s ASP 750 CO 0.27 -0.03 0.00 1.21 -0.17 0.00 0.00 175.17 176.46 2ayx n GLU 751 N 4.58 0.00 -2.79 4.34 4.07 0.02 -4.72 120.64 126.14 2ayx n GLU 751 Ca -0.18 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.50 2ayx n GLU 751 Cb 0.50 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.85 2ayx n GLU 751 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ayx s VAL 752 N 0.00 4.80 -1.47 6.31 1.01 -1.26 -4.73 120.40 125.06 2ayx s VAL 752 Ca 0.00 1.81 0.25 0.00 0.00 0.00 0.00 61.98 64.03 2ayx s VAL 752 Cb 0.00 -4.21 0.07 0.00 0.00 0.00 0.00 36.38 32.24 2ayx s VAL 752 CO 0.00 -0.05 1.35 0.55 0.00 0.00 0.00 175.10 176.95 2ayx n VAL 753 N 4.94 0.00 -3.64 2.92 3.14 -1.26 -4.98 118.33 119.45 2ayx n VAL 753 Ca 0.07 -0.09 -0.21 0.00 -2.96 0.00 0.00 64.34 61.15 2ayx n VAL 753 Cb 0.48 0.58 0.04 0.00 -1.06 0.00 0.00 33.84 33.88 2ayx n VAL 753 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2ayx n SER 754 N -0.92 -1.84 -3.81 6.55 7.64 -1.26 -5.00 113.62 114.98 2ayx n SER 754 Ca 0.09 -0.80 -0.08 0.00 1.01 0.00 0.00 58.87 59.08 2ayx n SER 754 Cb 0.36 -4.20 -0.03 0.00 -1.01 0.00 0.00 64.21 59.33 2ayx n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayx s LYS 755 N -5.81 1.61 -0.17 1.43 2.20 -1.26 -5.07 119.74 112.67 2ayx s LYS 755 Ca 0.06 -0.95 0.17 0.00 -0.36 0.00 0.00 55.97 54.88 2ayx s LYS 755 Cb -0.01 0.57 -0.23 0.00 -1.51 0.00 0.00 37.83 36.64 2ayx s LYS 755 CO 0.80 -0.72 0.08 1.63 -0.36 0.00 0.00 175.35 176.79 2ayx n LYS 756 N -0.41 0.96 -2.38 4.03 4.76 -1.26 -5.08 118.16 118.78 2ayx n LYS 756 Ca -0.06 -0.02 -0.02 0.00 -2.87 0.00 0.00 58.31 55.34 2ayx n LYS 756 Cb 0.61 -1.47 -0.01 0.00 -1.84 0.00 0.00 35.03 32.31 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 -2.66 -3.18 -1.75 2.13 -0.00 -1.26 -4.84 117.44 105.88 2ayx n TRP 757 Ca -0.29 1.60 -0.41 0.00 -0.00 0.00 0.00 57.50 58.41 2ayx n TRP 757 Cb 1.07 -3.38 -0.01 0.00 -0.00 0.00 0.00 31.31 28.99 2ayx n TRP 757 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 177.69 178.63 2ayx n GLN 758 N 0.84 3.64 0.00 5.87 7.27 -1.26 -4.83 117.38 128.90 2ayx n GLN 758 Ca -0.13 -2.81 0.00 0.00 0.07 0.00 0.00 57.00 54.13 2ayx n GLN 758 Cb 0.20 -2.92 0.00 0.00 2.41 0.00 0.00 30.24 29.93 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ayx n GLY 759 N 3.20 5.53 0.08 1.69 0.00 -1.26 -4.22 105.19 110.20 2ayx n GLY 759 Ca 0.61 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 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 -0.05 -1.98 1.61 2.43 -0.46 -3.44 114.38 112.49 2ayx h ARG 760 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2ayx h ARG 760 Cb 0.00 0.01 -0.19 0.00 -0.42 0.00 0.00 29.97 29.37 2ayx h ARG 760 CO 0.00 0.56 0.29 0.00 -1.51 0.00 0.00 179.97 179.31 2ayx s ALA 761 N -3.60 -1.80 -0.15 2.80 0.00 -1.23 -4.62 121.76 113.17 2ayx s ALA 761 Ca -0.16 1.31 -0.00 0.00 0.00 0.00 0.00 51.96 53.11 2ayx s ALA 761 Cb 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.07 2ayx s ALA 761 CO 0.63 -0.40 -0.07 0.54 0.00 0.00 0.00 175.76 176.46 2ayx s VAL 762 N -1.45 1.20 -0.40 0.00 0.11 0.21 -0.98 120.40 119.09 2ayx s VAL 762 Ca -0.07 -0.58 -0.06 0.00 -2.93 0.00 0.00 61.98 58.34 2ayx s VAL 762 Cb -0.00 -1.29 0.08 0.00 -1.53 0.00 0.00 36.38 33.64 2ayx s VAL 762 CO 0.05 0.24 0.21 -0.69 -3.33 0.00 0.00 175.10 171.58 2ayx s VAL 763 N 1.61 3.81 -0.25 2.04 1.01 0.58 -0.76 120.40 128.44 2ayx s VAL 763 Ca 0.02 -1.58 -0.15 0.00 0.00 0.00 0.00 61.98 60.27 2ayx s VAL 763 Cb -0.14 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2ayx s VAL 763 CO -0.08 -0.51 0.38 -0.89 0.00 0.00 0.00 175.10 174.00 2ayx s THR 764 N 1.33 5.18 -0.93 3.92 2.01 -0.00 -1.11 115.64 126.04 2ayx s THR 764 Ca 0.03 0.60 -0.18 0.00 0.31 0.00 0.00 61.69 62.45 2ayx s THR 764 Cb -0.23 -3.70 0.15 0.00 0.01 0.00 0.00 72.50 68.73 2ayx s THR 764 CO -0.00 0.18 1.09 -0.36 -0.69 0.00 0.00 174.62 174.85 2ayx s PHE 765 N 1.86 3.25 -0.12 4.92 0.08 0.13 -1.03 117.98 127.07 2ayx s PHE 765 Ca 0.16 -1.54 -0.01 0.00 0.12 0.00 0.00 56.93 55.66 2ayx s PHE 765 Cb -0.15 -4.21 -0.03 0.00 -0.57 0.00 0.00 43.02 38.06 2ayx s PHE 765 CO 0.09 -1.41 -0.07 0.00 -0.10 0.00 0.00 175.22 173.74 2ayx n ARG 767 N 3.06 4.64 -2.40 0.00 1.74 -1.26 -3.96 116.66 118.48 2ayx n ARG 767 Ca -0.18 -3.67 -0.18 0.00 -0.77 0.00 0.00 57.85 53.05 2ayx n ARG 767 Cb 0.53 -2.63 -0.01 0.00 -1.02 0.00 0.00 32.46 29.33 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ayx n ARG 768 N 1.63 -1.85 -3.40 5.56 1.74 -1.26 -4.94 116.66 114.14 2ayx n ARG 768 Ca 0.58 0.89 -0.40 0.00 -0.77 0.00 0.00 57.85 58.15 2ayx n ARG 768 Cb 0.26 -5.53 -0.09 0.00 -1.02 0.00 0.00 32.46 26.07 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2ayx s HIS 769 N -2.91 3.23 0.00 -1.55 2.46 -1.26 -4.73 115.29 110.53 2ayx s HIS 769 Ca 0.00 0.28 0.00 0.00 0.47 0.00 0.00 55.06 55.81 2ayx s HIS 769 Cb 0.00 -2.60 0.00 0.00 -0.13 0.00 0.00 32.58 29.85 2ayx s HIS 769 CO 0.00 -0.29 0.00 -0.89 -2.47 0.00 0.00 174.74 171.09 2ayx n ILE 770 N 5.16 0.00 0.00 0.89 5.41 -1.26 -4.52 119.36 125.04 2ayx n ILE 770 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.66 2ayx n ILE 770 Cb 0.50 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 2ayx n ILE 770 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ayx n GLY 771 N 0.00 2.14 3.61 7.39 0.00 -1.26 -5.12 105.19 111.94 2ayx n GLY 771 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 2ayx n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 772 N 0.00 4.66 0.93 -0.61 -1.09 -1.26 -5.11 121.20 118.72 2ayx s ILE 772 Ca 0.00 -0.08 -0.13 0.00 -2.23 0.00 0.00 60.65 58.21 2ayx s ILE 772 Cb 0.00 -3.10 0.15 0.00 -1.58 0.00 0.00 42.46 37.93 2ayx s ILE 772 CO 0.00 0.46 1.15 -2.16 -1.23 0.00 0.00 174.94 173.15 2ayx s PRO 773 N 0.45 1.00 0.00 2.79 0.04 -1.26 -4.87 135.00 133.15 2ayx s PRO 773 Ca 0.02 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.29 2ayx s PRO 773 Cb -0.13 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2ayx s PRO 773 CO 0.01 -2.28 0.00 1.47 0.04 0.00 0.00 177.00 176.24 2ayx n LEU 774 N -3.81 0.00 -3.11 -3.56 -0.00 -1.26 -4.35 117.00 100.91 2ayx n LEU 774 Ca 0.07 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.96 2ayx n LEU 774 Cb 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.00 2ayx n LEU 774 CO 0.56 0.00 1.66 -0.62 -0.00 0.00 0.00 177.39 178.99 2ayx n GLU 775 N 0.00 0.99 -0.01 1.47 4.71 -0.18 -3.74 120.64 123.89 2ayx n GLU 775 Ca 0.00 -0.98 0.10 0.00 -0.01 0.00 0.00 57.16 56.26 2ayx n GLU 775 Cb 0.00 -2.24 -0.14 0.00 -1.01 0.00 0.00 31.44 28.05 2ayx n GLU 775 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2ayx n LYS 776 N 4.78 0.64 -4.16 3.49 2.85 -1.26 -4.94 118.16 119.55 2ayx n LYS 776 Ca 0.23 -0.11 -0.17 0.00 -1.05 0.00 0.00 58.31 57.21 2ayx n LYS 776 Cb 0.08 -1.44 -0.12 0.00 -0.65 0.00 0.00 35.03 32.90 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 -3.14 0.98 -0.49 0.58 0.00 -1.24 -5.08 121.76 113.36 2ayx s ALA 777 Ca -0.02 -0.89 -0.26 0.00 0.00 0.00 0.00 51.96 50.79 2ayx s ALA 777 Cb 0.13 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 2ayx s ALA 777 CO 0.80 0.12 2.37 -1.25 0.00 0.00 0.00 175.76 177.81 2ayx s PRO 778 N -1.58 2.16 0.00 0.00 0.04 -1.26 -1.93 135.00 132.43 2ayx s PRO 778 Ca -0.04 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.39 2ayx s PRO 778 Cb -0.10 -4.57 0.00 0.00 0.04 0.00 0.00 34.50 29.88 2ayx s PRO 778 CO 0.02 -3.21 0.00 0.41 0.04 0.00 0.00 177.00 174.25 2ayx n GLY 779 N 5.98 1.85 3.69 0.56 0.00 -1.26 -4.99 105.19 111.01 2ayx n GLY 779 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 2ayx n GLY 779 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ayx s GLU 780 N 0.00 4.43 0.01 1.61 2.12 -0.81 -0.62 118.70 125.44 2ayx s GLU 780 Ca 0.00 1.31 0.01 0.00 0.36 0.00 0.00 54.97 56.64 2ayx s GLU 780 Cb 0.00 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.86 2ayx s GLU 780 CO 0.00 -0.24 -0.03 -1.58 -0.54 0.00 0.00 175.26 172.87 2ayx s TRP 781 N 1.77 0.23 0.04 5.30 0.52 0.06 -1.01 118.94 125.86 2ayx s TRP 781 Ca 0.47 -0.18 -0.06 0.00 0.02 0.00 0.00 56.10 56.35 2ayx s TRP 781 Cb -0.18 -0.15 -0.01 0.00 -1.15 0.00 0.00 33.47 31.98 2ayx s TRP 781 CO 0.19 -0.05 0.10 0.14 0.02 0.00 0.00 176.95 177.35 2ayx s VAL 782 N -0.47 0.14 -0.27 4.03 -7.23 -1.26 -0.82 120.40 114.51 2ayx s VAL 782 Ca -0.04 -1.12 -0.25 0.00 -1.81 0.00 0.00 61.98 58.76 2ayx s VAL 782 Cb -0.04 -0.95 0.08 0.00 0.56 0.00 0.00 36.38 36.04 2ayx s VAL 782 CO -0.00 -0.62 0.78 -2.28 -0.31 0.00 0.00 175.10 172.67 2ayx s HIS 783 N -2.73 -0.73 -0.50 2.82 2.46 -0.19 -4.90 115.29 111.51 2ayx s HIS 783 Ca -0.04 1.78 -0.11 0.00 0.47 0.00 0.00 55.06 57.17 2ayx s HIS 783 Cb -0.00 0.29 0.13 0.00 -0.13 0.00 0.00 32.58 32.86 2ayx s HIS 783 CO -0.05 -0.35 0.39 -1.12 -2.47 0.00 0.00 174.74 171.14 2ayx s SER 784 N 0.35 5.83 0.00 9.88 0.01 -1.25 -2.04 113.70 126.47 2ayx s SER 784 Ca 0.01 -1.95 0.00 0.00 1.31 0.00 0.00 55.95 55.32 2ayx s SER 784 Cb -0.05 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.13 2ayx s SER 784 CO -0.00 -0.71 0.00 1.33 0.41 0.00 0.00 173.24 174.26 2ayx n VAL 785 N 4.90 0.00 -3.24 3.43 0.24 -1.26 -5.02 118.33 117.38 2ayx n VAL 785 Ca -0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.98 2ayx n VAL 785 Cb 0.41 0.00 -0.07 0.00 -1.47 0.00 0.00 33.84 32.71 2ayx n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ayx n ALA 786 N -3.00 2.96 -3.48 2.33 0.00 -1.26 -4.90 120.51 113.17 2ayx n ALA 786 Ca 0.00 -3.86 -0.16 0.00 0.00 0.00 0.00 53.44 49.42 2ayx n ALA 786 Cb 0.00 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 18.62 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 1.01 -2.64 -1.17 0.00 0.00 -1.26 -4.75 120.51 111.71 2ayx n ALA 787 Ca 0.25 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.34 2ayx n ALA 787 Cb 0.50 -1.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 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 -2.60 2.06 0.00 0.00 -0.04 -1.26 -4.79 135.00 128.37 2ayx n PRO 788 Ca -0.15 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.62 2ayx n PRO 788 Cb 0.60 -1.90 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2ayx n PRO 788 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2ayx n HIS 789 N 1.13 0.00 -0.04 0.54 1.44 -1.26 -4.64 115.22 112.40 2ayx n HIS 789 Ca 0.39 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.98 2ayx n HIS 789 Cb 0.63 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.75 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 0.71 -0.05 -1.40 -0.00 -2.00 -3.07 114.58 108.76 2ayx h GLU 790 Ca 0.00 -0.44 -0.03 0.00 -0.00 0.00 0.00 59.36 58.88 2ayx h GLU 790 Cb 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 28.75 28.80 2ayx h GLU 790 CO 0.00 1.07 -0.09 1.25 -0.00 0.00 0.00 179.01 181.24 2ayx h LEU 791 N 0.54 0.17 -1.69 3.06 6.46 -1.92 -1.45 115.31 120.48 2ayx h LEU 791 Ca 0.01 -0.55 0.17 0.00 -0.12 0.00 0.00 57.88 57.39 2ayx h LEU 791 Cb 1.12 -0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.95 2ayx h LEU 791 CO 0.11 0.69 0.51 1.55 -0.62 0.00 0.00 178.44 180.68 2ayx h PRO 792 N -0.34 0.28 -0.31 5.25 0.13 -1.94 0.11 132.00 135.17 2ayx h PRO 792 Ca 0.00 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.06 2ayx h PRO 792 Cb 0.65 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.71 2ayx h PRO 792 CO 0.02 0.19 -0.03 0.00 -0.23 0.00 0.00 178.00 177.94 2ayx h ALA 793 N 1.65 0.42 -0.58 -0.56 0.00 -1.41 -1.79 119.26 116.99 2ayx h ALA 793 Ca 0.37 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2ayx h ALA 793 Cb 1.03 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 2ayx h ALA 793 CO -0.09 0.21 0.38 1.25 0.00 0.00 0.00 179.25 180.99 2ayx h LEU 794 N 0.35 0.64 -0.27 0.00 7.12 -0.03 -1.40 115.31 121.72 2ayx h LEU 794 Ca 0.08 -0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.08 2ayx h LEU 794 Cb 0.50 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 2ayx h LEU 794 CO 0.02 0.46 0.18 0.25 -0.13 0.00 0.00 178.44 179.22 2ayx h LEU 795 N 0.76 0.30 -0.43 2.25 7.12 -0.74 0.63 115.31 125.19 2ayx h LEU 795 Ca 0.21 -0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.21 2ayx h LEU 795 Cb -0.07 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 39.97 2ayx h LEU 795 CO -0.06 0.22 0.22 0.00 -0.13 0.00 0.00 178.44 178.69 2ayx h ALA 796 N 1.10 0.56 0.00 1.25 0.00 -1.11 -2.23 119.26 118.83 2ayx h ALA 796 Ca 0.10 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2ayx h ALA 796 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2ayx h ALA 796 CO -0.03 0.11 -0.25 0.07 0.00 0.00 0.00 179.25 179.14 2ayx h ARG 797 N 0.56 0.00 0.00 0.00 0.11 -1.01 -2.79 114.38 111.25 2ayx h ARG 797 Ca 0.15 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.07 2ayx h ARG 797 Cb 0.10 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 2ayx h ARG 797 CO -0.02 0.25 -0.76 0.97 0.10 0.00 0.00 179.97 180.51 2ayx h ILE 798 N 0.00 1.41 0.00 0.08 2.10 -0.46 -3.01 117.51 117.63 2ayx h ILE 798 Ca -0.00 -2.73 0.00 0.00 1.08 0.00 0.00 64.86 63.20 2ayx h ILE 798 Cb 0.75 2.53 0.00 0.00 -1.09 0.00 0.00 36.82 39.01 2ayx h ILE 798 CO 0.03 0.75 -0.12 1.88 -1.08 0.00 0.00 178.15 179.61 2ayx h TYR 799 N 0.00 0.00 -5.32 2.19 0.05 -1.17 -3.49 116.97 109.23 2ayx h TYR 799 Ca -0.01 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2ayx h TYR 799 Cb 1.47 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.21 2ayx h TYR 799 CO 0.00 0.00 -0.70 1.28 -1.05 0.00 0.00 178.16 177.69 2ayx n LEU 800 N -2.57 -7.67 -4.40 3.88 4.77 -1.07 -4.97 117.00 104.97 2ayx n LEU 800 Ca 0.04 0.79 -0.42 0.00 -0.03 0.00 0.00 56.01 56.40 2ayx n LEU 800 Cb 0.47 -3.28 -0.10 0.00 -2.33 0.00 0.00 43.42 38.18 2ayx n LEU 800 CO 0.33 -2.52 -0.11 -0.63 -1.33 0.00 0.00 177.39 173.13 2ayx s ILE 801 N -2.22 4.86 -1.23 -0.08 1.01 -1.26 -4.89 121.20 117.40 2ayx s ILE 801 Ca 0.17 -0.85 0.14 0.00 0.00 0.00 0.00 60.65 60.11 2ayx s ILE 801 Cb -0.05 -3.75 0.40 0.00 0.01 0.00 0.00 42.46 39.07 2ayx s ILE 801 CO 0.76 -0.32 1.33 -0.62 0.00 0.00 0.00 174.94 176.10 2ayx n GLU 802 N 5.07 2.81 0.00 2.79 1.02 -1.26 -5.06 120.64 126.01 2ayx n GLU 802 Ca -0.11 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.82 2ayx n GLU 802 Cb 0.46 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 2ayx n GLU 802 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2ayx n MET 803 N 0.83 0.00 -3.62 3.49 2.81 -1.26 -4.77 117.12 114.60 2ayx n MET 803 Ca 0.15 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.94 2ayx n MET 803 Cb 0.48 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.95 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 0.00 1.20 -0.23 0.03 4.04 -1.26 -5.06 118.70 117.42 2ayx s GLU 804 Ca 0.00 -0.70 -0.03 0.00 0.04 0.00 0.00 54.97 54.28 2ayx s GLU 804 Cb 0.00 0.51 0.11 0.00 0.02 0.00 0.00 34.13 34.77 2ayx s GLU 804 CO 0.00 -0.50 0.29 -1.12 -1.84 0.00 0.00 175.26 172.10 2ayx s SER 805 N -2.81 0.93 -0.25 0.83 0.01 -1.26 -5.13 113.70 106.01 2ayx s SER 805 Ca 0.04 -0.09 -0.08 0.00 1.31 0.00 0.00 55.95 57.14 2ayx s SER 805 Cb 0.00 0.70 -0.03 0.00 0.21 0.00 0.00 66.02 66.90 2ayx s SER 805 CO -0.10 -0.32 0.08 -0.62 0.41 0.00 0.00 173.24 172.69 2ayx s ASP 806 N 2.42 5.19 -0.37 2.44 2.15 -1.26 -4.99 116.67 122.25 2ayx s ASP 806 Ca 0.09 -0.21 -0.03 0.00 0.43 0.00 0.00 52.55 52.83 2ayx s ASP 806 Cb -0.15 -1.94 0.20 0.00 -0.30 0.00 0.00 42.92 40.73 2ayx s ASP 806 CO -0.16 -0.04 0.96 -0.62 -0.17 0.00 0.00 175.17 175.14 2ayx s ASP 807 N 1.62 -0.65 0.52 -0.34 2.15 -1.26 -5.16 116.67 113.55 2ayx s ASP 807 Ca 0.06 -0.57 -0.21 0.00 0.43 0.00 0.00 52.55 52.26 2ayx s ASP 807 Cb -0.15 0.85 -0.06 0.00 -0.30 0.00 0.00 42.92 43.26 2ayx s ASP 807 CO 0.04 -0.05 1.24 -2.84 -0.17 0.00 0.00 175.17 173.39 2ayx s PRO 808 N 1.39 3.36 0.46 4.34 0.02 -1.26 -5.04 135.00 138.27 2ayx s PRO 808 Ca 0.21 1.93 -0.05 0.00 0.02 0.00 0.00 61.00 63.11 2ayx s PRO 808 Cb 0.05 -2.23 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 2ayx s PRO 808 CO -0.11 -0.92 0.76 0.00 -0.33 0.00 0.00 177.00 176.40 2ayx s ALA 809 N -1.49 3.44 -0.19 -1.55 0.00 -1.26 -5.09 121.76 115.62 2ayx s ALA 809 Ca 0.70 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 52.12 2ayx s ALA 809 Cb -0.33 -2.53 0.04 0.00 0.00 0.00 0.00 23.12 20.30 2ayx s ALA 809 CO 0.38 -0.30 -0.10 1.21 0.00 0.00 0.00 175.76 176.96 2ayx s ASN 810 N -4.06 3.32 0.11 0.00 2.47 -1.26 -5.12 114.94 110.40 2ayx s ASN 810 Ca 0.47 -0.86 0.09 0.00 0.42 0.00 0.00 52.86 52.98 2ayx s ASN 810 Cb -0.10 -1.19 -0.04 0.00 -1.45 0.00 0.00 41.25 38.47 2ayx s ASN 810 CO 0.43 -0.15 -0.19 0.00 -3.72 0.00 0.00 177.10 173.48 2ayx s ALA 811 N 1.43 2.65 -0.19 1.71 0.00 -1.26 -5.12 121.76 120.98 2ayx s ALA 811 Ca -0.01 -1.35 -0.05 0.00 0.00 0.00 0.00 51.96 50.56 2ayx s ALA 811 Cb -0.16 -0.64 0.07 0.00 0.00 0.00 0.00 23.12 22.39 2ayx s ALA 811 CO -0.08 0.59 0.09 -1.17 0.00 0.00 0.00 175.76 175.19 2ayx s LEU 812 N -2.08 0.41 0.39 0.00 1.98 -1.26 -5.14 118.68 112.98 2ayx s LEU 812 Ca 0.17 -0.73 -0.24 0.00 -2.89 0.00 0.00 54.13 50.44 2ayx s LEU 812 Cb -0.11 -0.27 -0.09 0.00 0.66 0.00 0.00 46.19 46.38 2ayx s LEU 812 CO 0.09 -0.36 1.01 -2.16 -1.89 0.00 0.00 176.35 173.04 2ayx s PRO 813 N 2.12 4.26 -0.10 0.98 0.04 -1.26 -5.07 135.00 135.97 2ayx s PRO 813 Ca 0.03 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.48 2ayx s PRO 813 Cb -0.16 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.84 2ayx s PRO 813 CO -0.14 -0.04 -0.14 -1.54 0.04 0.00 0.00 177.00 175.18 2ayx s SER 814 N -1.70 3.95 -0.05 6.66 1.04 -1.26 -5.12 113.70 117.23 2ayx s SER 814 Ca 0.57 -0.30 -0.12 0.00 0.48 0.00 0.00 55.95 56.57 2ayx s SER 814 Cb -0.19 -1.36 -0.05 0.00 0.10 0.00 0.00 66.02 64.52 2ayx s SER 814 CO 0.24 0.22 0.32 -0.89 0.98 0.00 0.00 173.24 174.11 2ayx s THR 815 N 0.02 5.20 0.26 2.02 2.01 -1.26 -5.10 115.64 118.79 2ayx s THR 815 Ca -0.05 0.63 0.11 0.00 0.31 0.00 0.00 61.69 62.69 2ayx s THR 815 Cb -0.14 -3.61 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2ayx s THR 815 CO 0.04 0.57 -0.11 -0.62 -0.69 0.00 0.00 174.62 173.82 2ayx s ASP 816 N -0.93 4.04 -0.02 3.53 2.15 -1.26 -5.14 116.67 119.03 2ayx s ASP 816 Ca 0.21 -0.83 0.05 0.00 0.43 0.00 0.00 52.55 52.41 2ayx s ASP 816 Cb -0.15 -0.56 -0.01 0.00 -0.30 0.00 0.00 42.92 41.90 2ayx s ASP 816 CO 0.10 0.03 -0.15 -1.59 -0.17 0.00 0.00 175.17 173.39 2ayx s LYS 817 N -3.49 1.30 0.11 4.34 -2.85 -1.26 -5.14 119.74 112.75 2ayx s LYS 817 Ca 0.30 -0.54 -0.07 0.00 -1.00 0.00 0.00 55.97 54.66 2ayx s LYS 817 Cb -0.06 -1.23 -0.01 0.00 -2.06 0.00 0.00 37.83 34.46 2ayx s LYS 817 CO 0.17 0.31 0.16 0.00 0.10 0.00 0.00 175.35 176.09 2ayx s ALA 818 N -0.28 0.08 -0.12 0.59 0.00 -1.26 -5.18 121.76 115.58 2ayx s ALA 818 Ca 0.04 -0.88 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 2ayx s ALA 818 Cb -0.07 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.69 2ayx s ALA 818 CO -0.00 -0.52 0.32 0.08 0.00 0.00 0.00 175.76 175.63 2ayx s VAL 819 N -3.92 -0.01 0.13 0.00 1.01 -1.26 -5.16 120.40 111.18 2ayx s VAL 819 Ca 0.11 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.20 2ayx s VAL 819 Cb 0.05 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.94 2ayx s VAL 819 CO -0.07 0.02 -0.16 -0.44 0.00 0.00 0.00 175.10 174.45 2ayx s SER 820 N 0.55 2.24 -0.28 3.32 0.01 -1.26 -5.15 113.70 113.12 2ayx s SER 820 Ca -0.03 -0.79 -0.19 0.00 1.31 0.00 0.00 55.95 56.25 2ayx s SER 820 Cb -0.05 -0.10 0.10 0.00 0.21 0.00 0.00 66.02 66.19 2ayx s SER 820 CO -0.03 -0.08 0.83 -0.62 0.41 0.00 0.00 173.24 173.76 2ayx s ASP 821 N -2.36 -0.70 -0.30 2.44 2.15 -1.26 -5.15 116.67 111.49 2ayx s ASP 821 Ca 0.09 1.20 -0.07 0.00 0.43 0.00 0.00 52.55 54.20 2ayx s ASP 821 Cb -0.06 1.26 0.18 0.00 -0.30 0.00 0.00 42.92 44.00 2ayx s ASP 821 CO 0.04 -0.20 0.84 0.21 -0.17 0.00 0.00 175.17 175.90 2ayx s ASN 822 N 1.08 -0.90 -0.07 -0.34 3.84 -1.26 -5.16 114.94 112.13 2ayx s ASN 822 Ca -0.06 0.47 -0.06 0.00 0.21 0.00 0.00 52.86 53.42 2ayx s ASN 822 Cb -0.05 1.72 0.02 0.00 -0.55 0.00 0.00 41.25 42.40 2ayx s ASN 822 CO -0.12 -0.17 0.19 -0.62 -2.79 0.00 0.00 177.10 173.59 2ayx s ASP 823 N 2.91 -0.20 0.00 -4.21 2.15 -1.26 -5.10 116.67 110.96 2ayx s ASP 823 Ca 0.11 0.39 0.00 0.00 0.43 0.00 0.00 52.55 53.48 2ayx s ASP 823 Cb -0.11 0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.88 2ayx s ASP 823 CO -0.17 -0.08 0.00 -0.67 -0.17 0.00 0.00 175.17 174.08 2ayx n ASP 824 N 3.20 0.00 -4.53 -0.34 2.03 -1.26 -5.08 116.55 110.56 2ayx n ASP 824 Ca -0.15 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.74 2ayx n ASP 824 Cb 0.58 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.94 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 0.75 3.31 -0.31 -0.67 1.75 -1.26 -4.96 119.30 117.91 2ayx s MET 825 Ca 0.00 -0.21 -0.12 0.00 -1.25 0.00 0.00 55.69 54.11 2ayx s MET 825 Cb 0.00 -4.10 -0.03 0.00 2.84 0.00 0.00 34.83 33.54 2ayx s MET 825 CO 0.00 -1.76 0.21 -1.64 -0.65 0.00 0.00 175.02 171.18 2ayx s MET 826 N 4.68 3.64 -0.21 4.11 1.00 -1.25 -1.83 119.30 129.44 2ayx s MET 826 Ca 0.34 -0.54 -0.03 0.00 0.00 0.00 0.00 55.69 55.46 2ayx s MET 826 Cb -0.11 -3.72 -0.00 0.00 0.00 0.00 0.00 34.83 31.00 2ayx s MET 826 CO 0.18 -0.35 -0.08 0.42 0.00 0.00 0.00 175.02 175.20 2ayx s ILE 827 N 1.72 3.09 -0.16 2.53 -1.09 0.24 -1.41 121.20 126.12 2ayx s ILE 827 Ca 0.06 -0.59 -0.14 0.00 -2.23 0.00 0.00 60.65 57.75 2ayx s ILE 827 Cb -0.17 -2.39 -0.05 0.00 -1.58 0.00 0.00 42.46 38.28 2ayx s ILE 827 CO 0.10 0.45 0.32 -0.22 -1.23 0.00 0.00 174.94 174.36 2ayx s LEU 828 N 1.42 4.24 -0.13 2.97 1.98 -0.84 -0.84 118.68 127.49 2ayx s LEU 828 Ca 0.05 0.54 0.02 0.00 -2.89 0.00 0.00 54.13 51.85 2ayx s LEU 828 Cb -0.14 -2.42 0.01 0.00 0.66 0.00 0.00 46.19 44.31 2ayx s LEU 828 CO -0.05 0.07 -0.17 0.68 -1.89 0.00 0.00 176.35 174.99 2ayx s VAL 829 N 0.55 1.69 -0.29 1.68 -7.23 -0.23 -0.64 120.40 115.93 2ayx s VAL 829 Ca 0.18 -0.75 0.03 0.00 -1.81 0.00 0.00 61.98 59.63 2ayx s VAL 829 Cb -0.13 -1.53 0.08 0.00 0.56 0.00 0.00 36.38 35.35 2ayx s VAL 829 CO 0.05 0.48 -0.02 0.54 -0.31 0.00 0.00 175.10 175.84 2ayx s VAL 830 N 1.03 1.96 0.18 1.32 0.11 -0.45 -0.91 120.40 123.65 2ayx s VAL 830 Ca -0.04 -1.80 0.07 0.00 -2.93 0.00 0.00 61.98 57.28 2ayx s VAL 830 Cb -0.15 -2.28 -0.04 0.00 -1.53 0.00 0.00 36.38 32.38 2ayx s VAL 830 CO -0.04 -0.32 0.03 -0.62 -3.33 0.00 0.00 175.10 170.82 2ayx s ASP 831 N 1.13 4.89 0.10 3.54 -1.08 -0.68 -0.84 116.67 123.72 2ayx s ASP 831 Ca 0.01 -0.38 0.21 0.00 -0.52 0.00 0.00 52.55 51.88 2ayx s ASP 831 Cb -0.19 -1.08 -0.13 0.00 -1.46 0.00 0.00 42.92 40.06 2ayx s ASP 831 CO -0.08 0.07 0.81 -0.67 0.52 0.00 0.00 175.17 175.82 2ayx n ASP 832 N -0.27 0.58 -4.32 -0.34 2.03 -0.76 -4.03 116.55 109.43 2ayx n ASP 832 Ca -0.09 0.23 -0.36 0.00 0.52 0.00 0.00 54.79 55.10 2ayx n ASP 832 Cb 0.56 0.85 -0.13 0.00 -0.72 0.00 0.00 41.12 41.67 2ayx n ASP 832 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2ayx s HIS 833 N -3.29 3.04 0.23 -0.67 3.76 -1.26 -4.99 115.29 112.10 2ayx s HIS 833 Ca -0.03 -0.96 -0.07 0.00 -0.15 0.00 0.00 55.06 53.84 2ayx s HIS 833 Cb 0.10 -2.15 0.20 0.00 1.11 0.00 0.00 32.58 31.85 2ayx s HIS 833 CO 0.83 -0.55 1.86 -1.00 -0.85 0.00 0.00 174.74 175.03 2ayx h PRO 834 N 8.14 1.22 -0.86 8.40 0.13 -1.99 -0.54 132.00 146.50 2ayx h PRO 834 Ca -0.37 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2ayx h PRO 834 Cb 1.15 -0.25 -0.04 0.00 0.13 0.00 0.00 31.00 31.99 2ayx h PRO 834 CO 0.60 0.87 0.51 0.97 -0.23 0.00 0.00 178.00 180.71 2ayx h ILE 835 N 1.23 1.24 -0.23 -3.56 -0.00 -2.00 -1.13 117.51 113.06 2ayx h ILE 835 Ca 0.32 -0.54 -0.04 0.00 -0.00 0.00 0.00 64.86 64.59 2ayx h ILE 835 Cb -0.02 0.05 -0.01 0.00 -0.00 0.00 0.00 36.82 36.85 2ayx h ILE 835 CO -0.06 0.26 -0.01 0.78 -0.00 0.00 0.00 178.15 179.12 2ayx h ASN 836 N 1.18 0.41 -0.19 2.19 -0.26 -1.86 -2.63 115.58 114.42 2ayx h ASN 836 Ca 0.31 -0.32 0.05 0.00 -0.56 0.00 0.00 56.30 55.78 2ayx h ASN 836 Cb -0.03 -0.11 -0.06 0.00 -1.06 0.00 0.00 38.32 37.05 2ayx h ASN 836 CO -0.06 0.64 -0.24 -0.09 -1.06 0.00 0.00 177.43 176.62 2ayx h ARG 837 N 0.18 -0.26 -0.56 0.81 1.12 -0.66 -0.41 114.38 114.60 2ayx h ARG 837 Ca 0.06 0.02 -0.05 0.00 -1.11 0.00 0.00 59.98 58.90 2ayx h ARG 837 Cb 0.43 0.06 -0.02 0.00 -0.01 0.00 0.00 29.97 30.43 2ayx h ARG 837 CO 0.01 -0.18 0.16 0.07 -3.11 0.00 0.00 179.97 176.93 2ayx h ARG 838 N -0.27 0.88 0.00 0.20 -0.00 -1.21 -2.03 114.38 111.94 2ayx h ARG 838 Ca 0.12 -0.20 -0.03 0.00 -0.00 0.00 0.00 59.98 59.88 2ayx h ARG 838 Cb 0.46 -0.12 0.00 0.00 -0.00 0.00 0.00 29.97 30.31 2ayx h ARG 838 CO -0.35 0.81 -0.11 1.25 -0.00 0.00 0.00 179.97 181.57 2ayx h LEU 839 N 0.79 0.09 -0.48 0.08 5.85 -1.10 -2.08 115.31 118.45 2ayx h LEU 839 Ca 0.18 -0.81 -0.16 0.00 0.84 0.00 0.00 57.88 57.93 2ayx h LEU 839 Cb 0.31 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2ayx h LEU 839 CO -0.00 0.89 -0.76 0.17 -0.34 0.00 0.00 178.44 178.40 2ayx h LEU 840 N -0.70 0.00 -1.01 2.25 8.10 -1.17 -2.48 115.31 120.32 2ayx h LEU 840 Ca -0.01 -0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.91 2ayx h LEU 840 Cb 0.91 -0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.12 2ayx h LEU 840 CO 0.02 0.76 -0.31 0.00 -4.11 0.00 0.00 178.44 174.80 2ayx h ALA 841 N 1.24 1.01 -0.42 0.17 0.00 -1.45 -1.13 119.26 118.68 2ayx h ALA 841 Ca -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2ayx h ALA 841 Cb 1.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.06 2ayx h ALA 841 CO 0.10 0.39 0.15 0.22 0.00 0.00 0.00 179.25 180.11 2ayx h ASP 842 N 0.00 0.59 -0.67 0.00 1.82 -0.92 0.47 116.42 117.70 2ayx h ASP 842 Ca -0.00 -0.18 -0.04 0.00 -0.39 0.00 0.00 57.03 56.42 2ayx h ASP 842 Cb 0.83 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.66 2ayx h ASP 842 CO 0.04 0.62 0.29 1.56 -1.61 0.00 0.00 179.24 180.14 2ayx h GLN 843 N 0.53 1.02 -0.44 0.28 4.20 -1.15 -0.90 115.11 118.65 2ayx h GLN 843 Ca 0.14 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2ayx h GLN 843 Cb 0.22 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2ayx h GLN 843 CO -0.01 0.82 0.19 1.25 -0.67 0.00 0.00 178.83 180.41 2ayx h LEU 844 N 1.00 0.56 -1.03 1.46 6.46 -0.86 -1.47 115.31 121.42 2ayx h LEU 844 Ca 0.24 -0.05 -0.10 0.00 -0.12 0.00 0.00 57.88 57.84 2ayx h LEU 844 Cb 0.17 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 2ayx h LEU 844 CO -0.02 0.50 -0.39 1.23 -0.62 0.00 0.00 178.44 179.13 2ayx h GLY 845 N 0.76 0.19 2.00 3.75 0.00 0.31 -2.37 103.07 107.70 2ayx h GLY 845 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.26 2ayx h GLY 845 CO -0.02 0.16 -0.21 1.76 0.00 0.00 0.00 176.54 178.23 2ayx h SER 846 N 0.15 0.00 -0.34 0.19 0.02 -0.17 -2.33 113.55 111.07 2ayx h SER 846 Ca 0.01 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 2ayx h SER 846 Cb 0.76 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 2ayx h SER 846 CO 0.06 0.21 -0.26 -0.07 -1.14 0.00 0.00 176.83 175.63 2ayx h LEU 847 N 0.00 0.87 -1.03 5.07 4.07 -0.89 -3.48 115.31 119.91 2ayx h LEU 847 Ca -0.00 -0.33 0.00 0.00 0.08 0.00 0.00 57.88 57.62 2ayx h LEU 847 Cb 0.59 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2ayx h LEU 847 CO 0.03 1.08 0.00 0.61 -1.08 0.00 0.00 178.44 179.07 2ayx n GLY 848 N -0.14 0.72 3.21 0.83 0.00 -0.88 -5.12 105.19 103.82 2ayx n GLY 848 Ca -0.00 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.14 1.10 -0.52 1.61 2.02 -1.26 -5.09 117.35 113.06 2ayx s TYR 849 Ca 0.00 -1.06 -0.28 0.00 -0.37 0.00 0.00 57.07 55.36 2ayx s TYR 849 Cb 0.00 -0.63 0.03 0.00 -0.40 0.00 0.00 41.96 40.96 2ayx s TYR 849 CO 0.00 -0.28 1.14 -0.65 -1.57 0.00 0.00 175.55 174.19 2ayx s GLN 850 N -3.94 3.61 0.08 -0.62 -1.52 -0.76 -4.85 119.66 111.66 2ayx s GLN 850 Ca 0.23 0.38 0.06 0.00 -1.95 0.00 0.00 55.36 54.07 2ayx s GLN 850 Cb 0.06 -3.96 -0.04 0.00 -0.22 0.00 0.00 33.01 28.86 2ayx s GLN 850 CO 0.02 -1.49 -0.09 0.00 -0.25 0.00 0.00 175.29 173.49 2ayx s LYS 852 N -2.00 2.54 -0.15 0.00 3.01 -0.02 -4.92 119.74 118.21 2ayx s LYS 852 Ca 0.21 -0.90 -0.17 0.00 -1.01 0.00 0.00 55.97 54.09 2ayx s LYS 852 Cb -0.11 -2.54 -0.04 0.00 -1.01 0.00 0.00 37.83 34.13 2ayx s LYS 852 CO 0.12 -0.33 0.45 0.95 0.51 0.00 0.00 175.35 177.05 2ayx s THR 853 N 1.30 5.19 -0.02 2.17 -4.23 -1.26 -1.06 115.64 117.73 2ayx s THR 853 Ca 0.01 0.87 0.01 0.00 -1.18 0.00 0.00 61.69 61.40 2ayx s THR 853 Cb -0.15 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 69.92 2ayx s THR 853 CO -0.10 0.30 -0.01 0.00 -0.54 0.00 0.00 174.62 174.27 2ayx s ALA 854 N 0.83 0.34 -0.83 3.99 0.00 -0.08 -4.98 121.76 121.02 2ayx s ALA 854 Ca 0.24 0.07 0.01 0.00 0.00 0.00 0.00 51.96 52.28 2ayx s ALA 854 Cb -0.15 -0.26 0.25 0.00 0.00 0.00 0.00 23.12 22.96 2ayx s ALA 854 CO 0.09 -0.03 0.93 0.27 0.00 0.00 0.00 175.76 177.02 2ayx n ASN 855 N 3.84 4.52 -3.54 0.00 6.94 -1.26 -1.69 115.26 124.07 2ayx n ASN 855 Ca -0.23 -3.33 0.01 0.00 -0.02 0.00 0.00 54.58 51.00 2ayx n ASN 855 Cb 0.52 -0.94 -0.06 0.00 -2.36 0.00 0.00 39.78 36.95 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 2ayx s ASP 856 N -1.55 -0.33 -0.03 0.53 -1.08 -1.26 -4.98 116.67 107.98 2ayx s ASP 856 Ca 0.33 0.50 -0.13 0.00 -0.52 0.00 0.00 52.55 52.73 2ayx s ASP 856 Cb 0.05 1.22 -0.07 0.00 -1.46 0.00 0.00 42.92 42.66 2ayx s ASP 856 CO -0.03 -0.08 0.60 1.23 0.52 0.00 0.00 175.17 177.41 2ayx h GLY 857 N 6.18 -0.47 1.71 2.66 0.00 -1.93 -3.18 103.07 108.03 2ayx h GLY 857 Ca -0.23 0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2ayx h GLY 857 CO 0.17 -0.17 0.15 -0.39 0.00 0.00 0.00 176.54 176.29 2ayx h VAL 858 N -0.94 1.00 0.00 4.60 -1.51 -1.98 -1.24 116.25 116.19 2ayx h VAL 858 Ca -0.05 -0.07 -0.01 0.00 -1.23 0.00 0.00 66.70 65.35 2ayx h VAL 858 Cb 0.35 0.78 -0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2ayx h VAL 858 CO 0.08 0.04 -0.04 -0.78 -1.23 0.00 0.00 177.57 175.63 2ayx h ASP 859 N 0.20 0.00 -0.35 4.19 3.58 -1.99 -1.86 116.42 120.18 2ayx h ASP 859 Ca 0.09 0.00 -0.06 0.00 0.42 0.00 0.00 57.03 57.48 2ayx h ASP 859 Cb 0.11 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2ayx h ASP 859 CO -0.02 0.04 0.01 0.00 -2.88 0.00 0.00 179.24 176.39 2ayx h ALA 860 N 1.96 1.18 -0.20 -0.78 0.00 -1.19 -1.12 119.26 119.12 2ayx h ALA 860 Ca -0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 2ayx h ALA 860 Cb 0.47 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2ayx h ALA 860 CO 0.00 0.53 -0.58 -0.07 0.00 0.00 0.00 179.25 179.14 2ayx h LEU 861 N 0.68 0.71 0.07 0.00 3.38 -1.46 -2.11 115.31 116.58 2ayx h LEU 861 Ca 0.14 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2ayx h LEU 861 Cb 0.41 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 2ayx h LEU 861 CO 0.02 1.13 -0.19 -1.13 0.09 0.00 0.00 178.44 178.36 2ayx h ASN 862 N 0.48 -0.55 0.41 -0.43 -1.24 -0.96 -0.97 115.58 112.33 2ayx h ASN 862 Ca 0.00 0.07 -0.16 0.00 0.71 0.00 0.00 56.30 56.93 2ayx h ASN 862 Cb 1.15 0.22 -0.01 0.00 0.73 0.00 0.00 38.32 40.40 2ayx h ASN 862 CO 0.11 -0.27 -0.66 1.62 -1.29 0.00 0.00 177.43 176.95 2ayx h VAL 863 N -0.35 1.41 -0.35 2.57 3.04 -1.27 -1.82 116.25 119.48 2ayx h VAL 863 Ca 0.04 -2.11 -0.02 0.00 -1.01 0.00 0.00 66.70 63.60 2ayx h VAL 863 Cb 0.39 2.10 -0.02 0.00 -2.01 0.00 0.00 31.29 31.75 2ayx h VAL 863 CO -0.13 0.62 0.16 0.25 -1.01 0.00 0.00 177.57 177.45 2ayx h LEU 864 N 0.16 0.46 0.00 3.16 7.12 -1.12 -0.74 115.31 124.35 2ayx h LEU 864 Ca -0.01 -0.14 -0.00 0.00 0.13 0.00 0.00 57.88 57.85 2ayx h LEU 864 Cb 1.19 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.20 2ayx h LEU 864 CO 0.10 0.48 -0.02 0.28 -0.13 0.00 0.00 178.44 179.14 2ayx h SER 865 N 0.42 0.00 0.06 1.25 0.02 -1.17 -2.89 113.55 111.23 2ayx h SER 865 Ca 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2ayx h SER 865 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2ayx h SER 865 CO -0.01 0.01 -0.03 0.50 -1.14 0.00 0.00 176.83 176.15 2ayx h LYS 866 N 0.00 -0.08 0.00 3.45 1.63 -1.01 -3.46 116.57 117.10 2ayx h LYS 866 Ca -0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2ayx h LYS 866 Cb 1.00 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.65 2ayx h LYS 866 CO 0.00 0.50 0.00 -1.71 -3.45 0.00 0.00 179.45 174.79 2ayx n ASN 867 N -4.81 0.00 0.00 4.20 2.85 -0.31 -5.09 115.26 112.09 2ayx n ASN 867 Ca -0.08 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.39 2ayx n ASN 867 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 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 -0.22 0.00 -0.70 1.20 -0.00 -1.09 -4.99 115.22 109.42 2ayx n HIS 868 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2ayx n HIS 868 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2ayx n HIS 868 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2ayx n ILE 869 N 0.00 -2.48 0.01 3.57 -0.00 -1.26 -4.75 119.36 114.45 2ayx n ILE 869 Ca 0.00 0.95 -0.22 0.00 -0.00 0.00 0.00 62.75 63.48 2ayx n ILE 869 Cb 0.00 -1.36 -0.14 0.00 -0.00 0.00 0.00 39.64 38.15 2ayx n ILE 869 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2ayx h ASP 870 N 0.56 0.41 -3.65 4.38 3.58 -1.61 -3.47 116.42 116.62 2ayx h ASP 870 Ca 0.00 -0.87 -0.24 0.00 0.42 0.00 0.00 57.03 56.34 2ayx h ASP 870 Cb 0.11 -0.13 -0.30 0.00 1.72 0.00 0.00 39.33 40.73 2ayx h ASP 870 CO 0.00 1.69 -0.68 -0.63 -2.88 0.00 0.00 179.24 176.74 2ayx s ILE 871 N -2.51 -0.02 -0.11 2.25 1.01 -1.22 -4.34 121.20 116.26 2ayx s ILE 871 Ca -0.20 0.08 0.01 0.00 0.00 0.00 0.00 60.65 60.54 2ayx s ILE 871 Cb 0.05 -0.09 -0.01 0.00 0.01 0.00 0.00 42.46 42.42 2ayx s ILE 871 CO 0.77 0.03 -0.15 -0.69 0.00 0.00 0.00 174.94 174.90 2ayx s VAL 872 N 0.44 2.88 -0.22 2.92 1.01 -1.07 -1.98 120.40 124.39 2ayx s VAL 872 Ca -0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.18 2ayx s VAL 872 Cb -0.05 -2.18 0.00 0.00 0.00 0.00 0.00 36.38 34.15 2ayx s VAL 872 CO -0.01 0.54 -0.06 -0.76 0.00 0.00 0.00 175.10 174.81 2ayx s LEU 873 N 0.18 2.90 -0.56 3.92 1.43 0.18 -0.38 118.68 126.35 2ayx s LEU 873 Ca -0.09 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.38 2ayx s LEU 873 Cb -0.15 -1.70 0.14 0.00 0.03 0.00 0.00 46.19 44.51 2ayx s LEU 873 CO 0.05 -0.05 0.45 -0.94 0.23 0.00 0.00 176.35 176.10 2ayx s SER 874 N 1.43 5.88 -0.54 2.29 1.04 -0.90 -1.35 113.70 121.56 2ayx s SER 874 Ca 0.05 -2.16 -0.23 0.00 0.48 0.00 0.00 55.95 54.08 2ayx s SER 874 Cb -0.15 -2.05 0.04 0.00 0.10 0.00 0.00 66.02 63.97 2ayx s SER 874 CO -0.04 -0.65 0.88 -1.81 0.98 0.00 0.00 173.24 172.59 2ayx s ASP 875 N 2.44 6.32 0.02 7.02 1.11 -0.02 -1.36 116.67 132.19 2ayx s ASP 875 Ca 0.09 -0.46 0.06 0.00 0.18 0.00 0.00 52.55 52.42 2ayx s ASP 875 Cb -0.23 -2.41 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 2ayx s ASP 875 CO -0.02 -1.16 -0.17 0.54 1.18 0.00 0.00 175.17 175.54 2ayx s VAL 876 N 3.68 1.37 -2.83 -1.27 0.11 -0.21 -1.84 120.40 119.41 2ayx s VAL 876 Ca 0.27 -0.94 0.25 0.00 -2.93 0.00 0.00 61.98 58.63 2ayx s VAL 876 Cb -0.14 -1.18 0.24 0.00 -1.53 0.00 0.00 36.38 33.77 2ayx s VAL 876 CO 0.18 0.22 1.34 0.59 -3.33 0.00 0.00 175.10 174.09 2ayx n ASN 877 N 2.20 2.64 -3.58 3.54 4.13 -1.26 -1.38 115.26 121.55 2ayx n ASN 877 Ca -0.16 -1.86 -0.27 0.00 1.68 0.00 0.00 54.58 53.96 2ayx n ASN 877 Cb 0.54 0.04 -0.11 0.00 -1.54 0.00 0.00 39.78 38.71 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.32 0.28 0.00 0.00 177.26 177.22 2ayx s MET 878 N -2.04 1.46 -1.00 3.52 1.75 -1.26 -4.70 119.30 117.03 2ayx s MET 878 Ca 0.29 -2.53 -0.02 0.00 -1.25 0.00 0.00 55.69 52.18 2ayx s MET 878 Cb 0.20 -2.15 0.30 0.00 2.84 0.00 0.00 34.83 36.02 2ayx s MET 878 CO 0.33 -1.34 1.94 -0.35 -0.65 0.00 0.00 175.02 174.95 2ayx n PRO 879 N 2.58 4.73 0.00 4.11 -0.04 -1.26 -3.32 135.00 141.80 2ayx n PRO 879 Ca 0.25 -4.27 0.00 0.00 -0.04 0.00 0.00 63.50 59.44 2ayx n PRO 879 Cb 0.43 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 2ayx n PRO 879 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2ayx n ASN 880 N 0.00 0.00 -0.07 3.54 4.05 -1.26 -4.93 115.26 116.59 2ayx n ASN 880 Ca 0.50 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 55.39 2ayx n ASN 880 Cb 0.26 0.00 -0.03 0.00 1.23 0.00 0.00 39.78 41.24 2ayx n ASN 880 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 177.26 174.18 2ayx h MET 881 N 0.00 0.84 0.00 1.20 4.05 -2.03 -3.41 114.93 115.58 2ayx h MET 881 Ca 0.00 -0.53 -0.44 0.00 -0.28 0.00 0.00 59.70 58.46 2ayx h MET 881 Cb 0.00 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 2ayx h MET 881 CO 0.00 1.16 -0.19 -3.47 0.23 0.00 0.00 176.91 174.64 2ayx n ASP 882 N -4.00 2.27 0.00 1.39 -0.08 -1.26 -4.76 116.55 110.11 2ayx n ASP 882 Ca -0.04 -2.43 0.00 0.00 -1.51 0.00 0.00 54.79 50.81 2ayx n ASP 882 Cb 0.62 -0.06 0.00 0.00 2.34 0.00 0.00 41.12 44.02 2ayx n ASP 882 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ayx n GLY 883 N -0.13 1.48 0.30 0.27 0.00 -1.21 -4.28 105.19 101.62 2ayx n GLY 883 Ca -0.00 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 0.00 -0.11 1.61 -0.00 -1.80 0.62 116.97 117.29 2ayx h TYR 884 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.66 2ayx h TYR 884 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.72 2ayx h TYR 884 CO 0.00 0.04 -0.26 0.07 -0.00 0.00 0.00 178.16 178.01 2ayx h ARG 885 N 0.00 0.20 -0.02 0.10 -0.00 -1.88 0.37 114.38 113.15 2ayx h ARG 885 Ca -0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.98 59.91 2ayx h ARG 885 Cb 0.20 -0.02 -0.00 0.00 -0.00 0.00 0.00 29.97 30.16 2ayx h ARG 885 CO 0.00 0.45 -0.01 1.25 -0.00 0.00 0.00 179.97 181.66 2ayx h LEU 886 N 0.18 0.04 -0.88 0.08 7.12 -1.25 0.07 115.31 120.67 2ayx h LEU 886 Ca 0.03 -0.47 -0.03 0.00 0.13 0.00 0.00 57.88 57.53 2ayx h LEU 886 Cb 0.56 -0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.64 2ayx h LEU 886 CO 0.04 0.50 0.37 0.74 -0.13 0.00 0.00 178.44 179.96 2ayx h THR 887 N -0.42 1.26 -0.42 1.05 2.02 -1.43 0.52 112.91 115.49 2ayx h THR 887 Ca 0.00 -0.74 -0.00 0.00 0.77 0.00 0.00 66.41 66.44 2ayx h THR 887 Cb 0.49 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 2ayx h THR 887 CO 0.00 0.31 0.25 -0.61 0.37 0.00 0.00 175.52 175.85 2ayx h GLN 888 N 1.17 0.58 -0.70 6.66 5.75 -0.91 -1.98 115.11 125.69 2ayx h GLN 888 Ca 0.28 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 2ayx h GLN 888 Cb 0.14 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.54 2ayx h GLN 888 CO -0.03 0.44 0.45 -0.09 -2.65 0.00 0.00 178.83 176.94 2ayx h ARG 889 N 0.56 0.93 0.15 1.69 2.43 -0.21 0.29 114.38 120.22 2ayx h ARG 889 Ca 0.15 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2ayx h ARG 889 Cb 0.01 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2ayx h ARG 889 CO -0.03 0.63 -0.13 0.82 -1.51 0.00 0.00 179.97 179.76 2ayx h ILE 890 N 0.95 0.72 -0.00 1.20 1.08 -0.67 -0.10 117.51 120.68 2ayx h ILE 890 Ca 0.25 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.63 2ayx h ILE 890 Cb -0.08 0.72 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2ayx h ILE 890 CO -0.05 0.00 -0.42 0.08 -0.69 0.00 0.00 178.15 177.07 2ayx h ARG 891 N -0.29 0.01 -0.05 2.37 0.11 -1.16 -0.64 114.38 114.72 2ayx h ARG 891 Ca -0.00 -0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.88 2ayx h ARG 891 Cb 0.27 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.34 2ayx h ARG 891 CO -0.02 0.43 -0.79 1.96 0.10 0.00 0.00 179.97 181.65 2ayx h GLN 892 N 0.01 0.38 -0.02 0.08 1.08 -0.61 -3.23 115.11 112.80 2ayx h GLN 892 Ca -0.00 -0.34 -0.08 0.00 -1.45 0.00 0.00 58.65 56.78 2ayx h GLN 892 Cb 0.74 0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.26 2ayx h GLN 892 CO 0.05 0.99 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.54 2ayx h LEU 893 N 0.24 0.30 0.00 1.46 4.07 -0.82 -3.49 115.31 117.08 2ayx h LEU 893 Ca -0.04 -0.74 0.00 0.00 0.08 0.00 0.00 57.88 57.18 2ayx h LEU 893 Cb 1.38 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.03 2ayx h LEU 893 CO 0.13 1.00 0.00 0.61 -1.08 0.00 0.00 178.44 179.11 2ayx n GLY 894 N 0.96 1.25 3.81 0.83 0.00 -0.26 -5.11 105.19 106.67 2ayx n GLY 894 Ca -0.10 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 2ayx n GLY 894 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayx s LEU 895 N 0.00 3.88 -0.01 0.99 -0.00 -1.14 -4.97 118.68 117.44 2ayx s LEU 895 Ca 0.00 1.78 0.02 0.00 -0.00 0.00 0.00 54.13 55.93 2ayx s LEU 895 Cb 0.00 -4.55 0.02 0.00 -0.00 0.00 0.00 46.19 41.67 2ayx s LEU 895 CO 0.00 -0.55 0.77 0.35 -0.00 0.00 0.00 176.35 176.92 2ayx n THR 896 N -0.83 0.30 -3.78 5.48 -2.24 -1.26 -5.07 114.28 106.88 2ayx n THR 896 Ca 0.08 -0.33 -0.11 0.00 -2.27 0.00 0.00 64.05 61.42 2ayx n THR 896 Cb 0.53 0.68 -0.08 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.38 1.01 -0.01 3.22 2.34 -1.26 -5.11 118.68 118.49 2ayx s LEU 897 Ca 0.03 -0.21 -0.30 0.00 0.06 0.00 0.00 54.13 53.70 2ayx s LEU 897 Cb 0.02 1.24 -0.06 0.00 -0.56 0.00 0.00 46.19 46.83 2ayx s LEU 897 CO 0.00 -0.58 1.60 -2.84 -1.06 0.00 0.00 176.35 173.46 2ayx s PRO 898 N -2.44 4.21 -0.41 1.48 0.02 -1.26 -4.92 135.00 131.67 2ayx s PRO 898 Ca -0.06 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 63.02 2ayx s PRO 898 Cb -0.01 -3.78 0.04 0.00 0.02 0.00 0.00 34.50 30.77 2ayx s PRO 898 CO -0.03 -0.75 0.27 0.08 -0.33 0.00 0.00 177.00 176.23 2ayx s VAL 899 N 3.27 4.76 -0.53 3.83 1.01 -1.08 -2.59 120.40 129.08 2ayx s VAL 899 Ca 0.71 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 61.56 2ayx s VAL 899 Cb -0.35 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.38 2ayx s VAL 899 CO 0.29 -0.36 0.60 -0.63 0.00 0.00 0.00 175.10 175.00 2ayx s ILE 900 N 1.57 4.96 -0.18 2.22 1.01 0.48 -0.96 121.20 130.31 2ayx s ILE 900 Ca 0.03 -0.89 -0.20 0.00 0.00 0.00 0.00 60.65 59.58 2ayx s ILE 900 Cb -0.21 -4.34 -0.03 0.00 0.01 0.00 0.00 42.46 37.89 2ayx s ILE 900 CO 0.07 -0.89 0.59 -0.83 0.00 0.00 0.00 174.94 173.88 2ayx s GLY 901 N 3.12 2.13 -0.42 6.18 0.00 -0.06 -2.11 107.32 116.15 2ayx s GLY 901 Ca 0.10 -0.27 -0.12 0.00 0.00 0.00 0.00 44.72 44.43 2ayx s GLY 901 CO 0.08 1.19 0.29 0.54 0.00 0.00 0.00 173.10 175.20 2ayx s VAL 902 N 1.64 4.74 -0.00 1.40 0.11 -0.47 -0.93 120.40 126.89 2ayx s VAL 902 Ca 0.28 -1.08 0.02 0.00 -2.93 0.00 0.00 61.98 58.26 2ayx s VAL 902 Cb -0.16 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.87 2ayx s VAL 902 CO 0.11 -0.44 -0.01 0.42 -3.33 0.00 0.00 175.10 171.84 2ayx s THR 903 N 1.55 4.04 -0.59 5.04 -4.23 0.19 -1.05 115.64 120.60 2ayx s THR 903 Ca 0.03 -0.64 -0.27 0.00 -1.18 0.00 0.00 61.69 59.63 2ayx s THR 903 Cb -0.22 -2.80 0.00 0.00 1.34 0.00 0.00 72.50 70.83 2ayx s THR 903 CO 0.05 0.38 1.54 0.00 -0.54 0.00 0.00 174.62 176.05 2ayx s ALA 904 N -1.07 2.63 -0.70 3.99 0.00 -0.48 -0.31 121.76 125.83 2ayx s ALA 904 Ca 0.19 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.31 2ayx s ALA 904 Cb -0.11 -4.17 0.02 0.00 0.00 0.00 0.00 23.12 18.85 2ayx s ALA 904 CO 0.10 -3.22 0.63 -1.71 0.00 0.00 0.00 175.76 171.55 2ayx n ASN 905 N 10.44 -5.34 0.08 0.00 5.15 -1.26 -4.86 115.26 119.47 2ayx n ASN 905 Ca 0.14 -0.62 0.13 0.00 -0.60 0.00 0.00 54.58 53.63 2ayx n ASN 905 Cb 0.50 -2.03 0.40 0.00 -0.53 0.00 0.00 39.78 38.12 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayx n ALA 906 N -1.76 2.39 0.00 5.20 0.00 -1.26 -4.92 120.51 120.15 2ayx n ALA 906 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2ayx n ALA 906 Cb 0.67 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -2.13 0.00 -3.06 0.00 4.77 -1.26 -4.22 117.00 111.09 2ayx n LEU 907 Ca 0.05 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.68 2ayx n LEU 907 Cb 0.42 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.52 2ayx n LEU 907 CO 0.31 0.00 0.99 0.00 -1.33 0.00 0.00 177.39 177.36 2ayx n ALA 908 N 0.00 5.76 -0.29 -1.18 0.00 -1.26 -4.86 120.51 118.68 2ayx n ALA 908 Ca 0.00 -4.42 0.09 0.00 0.00 0.00 0.00 53.44 49.11 2ayx n ALA 908 Cb 0.00 -1.54 0.22 0.00 0.00 0.00 0.00 19.45 18.13 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 3.29 0.10 -0.43 0.00 3.07 -1.98 0.95 114.58 119.58 2ayx h GLU 909 Ca 0.43 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.26 2ayx h GLU 909 Cb 0.38 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 2ayx h GLU 909 CO 1.13 0.07 0.20 1.05 -1.40 0.00 0.00 179.01 180.06 2ayx h GLU 910 N 0.11 0.62 -0.37 2.33 4.11 -1.91 -0.08 114.58 119.38 2ayx h GLU 910 Ca 0.49 -0.09 -0.14 0.00 0.07 0.00 0.00 59.36 59.69 2ayx h GLU 910 Cb 0.92 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 2ayx h GLU 910 CO -0.73 0.54 -0.31 -0.22 0.07 0.00 0.00 179.01 178.36 2ayx h LYS 911 N 0.55 0.81 -0.39 1.06 3.64 -1.51 -2.34 116.57 118.40 2ayx h LYS 911 Ca 0.15 -0.38 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2ayx h LYS 911 Cb 0.13 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2ayx h LYS 911 CO -0.02 1.01 0.24 0.37 -2.27 0.00 0.00 179.45 178.78 2ayx h GLN 912 N 0.69 0.53 -0.64 1.90 4.15 -0.64 -1.70 115.11 119.39 2ayx h GLN 912 Ca 0.08 -0.05 0.06 0.00 0.77 0.00 0.00 58.65 59.51 2ayx h GLN 912 Cb 0.86 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.40 2ayx h GLN 912 CO 0.08 0.39 0.42 -0.09 -1.93 0.00 0.00 178.83 177.70 2ayx h ARG 913 N 0.52 0.62 -0.26 1.69 1.12 -0.77 0.54 114.38 117.84 2ayx h ARG 913 Ca 0.14 -0.04 -0.12 0.00 -1.11 0.00 0.00 59.98 58.85 2ayx h ARG 913 Cb -0.00 -0.14 -0.01 0.00 -0.01 0.00 0.00 29.97 29.80 2ayx h ARG 913 CO -0.03 0.41 -0.34 0.00 -3.11 0.00 0.00 179.97 176.90 2ayx h LEU 915 N 0.47 0.27 -0.60 0.00 7.12 -0.17 -2.88 115.31 119.53 2ayx h LEU 915 Ca 0.05 -0.13 -0.12 0.00 0.13 0.00 0.00 57.88 57.81 2ayx h LEU 915 Cb 0.82 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.86 2ayx h LEU 915 CO 0.07 0.72 -0.21 -0.33 -0.13 0.00 0.00 178.44 178.56 2ayx h GLU 916 N 0.20 0.89 -2.66 1.25 4.39 -0.69 -3.47 114.58 114.50 2ayx h GLU 916 Ca 0.01 -0.37 -0.21 0.00 0.34 0.00 0.00 59.36 59.13 2ayx h GLU 916 Cb 0.94 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.50 2ayx h GLU 916 CO 0.08 1.01 -0.23 0.43 -1.16 0.00 0.00 179.01 179.14 2ayx n SER 917 N -4.11 -3.12 -0.98 1.42 7.64 -0.59 -4.42 113.62 109.46 2ayx n SER 917 Ca 0.00 0.25 -0.00 0.00 1.01 0.00 0.00 58.87 60.13 2ayx n SER 917 Cb 0.44 -2.84 -0.01 0.00 -1.01 0.00 0.00 64.21 60.80 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 -0.46 0.76 0.00 0.23 0.00 -1.26 -4.87 105.19 99.59 2ayx n GLY 918 Ca -0.12 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.19 0.00 0.00 1.61 2.81 -1.26 -4.60 117.12 115.86 2ayx n MET 919 Ca -0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.85 2ayx n MET 919 Cb 0.84 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.35 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 -4.13 7.83 2.03 -0.13 -2.62 116.55 119.53 2ayx n ASP 920 Ca 0.00 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 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 0.96 0.01 1.67 0.01 -1.03 -4.98 113.70 110.35 2ayx s SER 921 Ca 0.00 -0.90 0.03 0.00 1.31 0.00 0.00 55.95 56.39 2ayx s SER 921 Cb 0.00 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 2ayx s SER 921 CO 0.00 -0.43 -0.11 0.00 0.41 0.00 0.00 173.24 173.11 2ayx s LEU 923 N -0.62 0.81 0.25 0.00 2.34 -0.11 -4.92 118.68 116.44 2ayx s LEU 923 Ca 0.02 -1.21 -0.04 0.00 0.06 0.00 0.00 54.13 52.96 2ayx s LEU 923 Cb -0.06 0.99 -0.05 0.00 -0.56 0.00 0.00 46.19 46.51 2ayx s LEU 923 CO 0.00 -0.98 0.51 -0.44 -1.06 0.00 0.00 176.35 174.38 2ayx s SER 924 N -3.11 6.45 0.19 1.48 0.01 -1.26 -0.64 113.70 116.84 2ayx s SER 924 Ca 0.32 0.66 -0.14 0.00 1.31 0.00 0.00 55.95 58.10 2ayx s SER 924 Cb 0.04 -2.12 0.21 0.00 0.21 0.00 0.00 66.02 64.35 2ayx s SER 924 CO 0.11 -0.13 1.66 0.50 0.41 0.00 0.00 173.24 175.79 2ayx h LYS 925 N 1.91 0.05 -5.68 12.44 1.63 -0.92 -3.38 116.57 122.62 2ayx h LYS 925 Ca -0.47 -0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 58.81 2ayx h LYS 925 Cb 1.19 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 32.80 2ayx h LYS 925 CO 0.67 0.04 1.60 -0.35 -3.45 0.00 0.00 179.45 177.96 2ayx n PRO 926 N -5.32 1.20 -4.31 1.90 -0.04 -1.26 -4.93 135.00 122.23 2ayx n PRO 926 Ca 0.06 0.14 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 2ayx n PRO 926 Cb 0.30 -3.22 -0.11 0.00 -0.04 0.00 0.00 33.50 30.42 2ayx n PRO 926 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2ayx s VAL 927 N 10.83 1.73 0.29 0.52 0.11 -1.26 -5.16 120.40 127.47 2ayx s VAL 927 Ca 1.02 -1.86 0.10 0.00 -2.93 0.00 0.00 61.98 58.31 2ayx s VAL 927 Cb -0.32 -1.77 -0.05 0.00 -1.53 0.00 0.00 36.38 32.71 2ayx s VAL 927 CO 0.31 -0.31 -0.03 0.42 -3.33 0.00 0.00 175.10 172.16 2ayx s THR 928 N -2.00 3.05 0.19 5.04 -4.23 -1.26 -5.02 115.64 111.42 2ayx s THR 928 Ca 0.14 -2.02 -0.11 0.00 -1.18 0.00 0.00 61.69 58.53 2ayx s THR 928 Cb -0.06 -2.73 0.12 0.00 1.34 0.00 0.00 72.50 71.18 2ayx s THR 928 CO 0.06 -0.33 1.81 0.25 -0.54 0.00 0.00 174.62 175.86 2ayx h LEU 929 N 1.93 0.88 0.00 4.79 7.12 -1.99 0.02 115.31 128.06 2ayx h LEU 929 Ca -0.43 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 57.48 2ayx h LEU 929 Cb 1.25 -0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.16 2ayx h LEU 929 CO 0.62 0.73 -0.00 -0.78 -0.13 0.00 0.00 178.44 178.88 2ayx h ASP 930 N 0.96 -0.00 0.54 1.25 3.58 -1.99 0.59 116.42 121.36 2ayx h ASP 930 Ca 0.24 -0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.56 2ayx h ASP 930 Cb 0.05 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 2ayx h ASP 930 CO -0.04 0.01 -0.58 1.62 -2.88 0.00 0.00 179.24 177.37 2ayx h VAL 931 N -0.01 1.41 -0.29 2.25 3.04 -1.94 0.03 116.25 120.74 2ayx h VAL 931 Ca -0.00 -1.99 -0.16 0.00 -1.01 0.00 0.00 66.70 63.54 2ayx h VAL 931 Cb 0.01 2.06 -0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2ayx h VAL 931 CO 0.00 0.57 -0.47 -0.29 -1.01 0.00 0.00 177.57 176.37 2ayx h ILE 932 N 0.03 1.29 -0.40 3.17 -0.00 -0.76 -0.86 117.51 119.97 2ayx h ILE 932 Ca -0.01 -1.66 -0.10 0.00 -0.00 0.00 0.00 64.86 63.09 2ayx h ILE 932 Cb 1.04 1.57 -0.01 0.00 -0.00 0.00 0.00 36.82 39.41 2ayx h ILE 932 CO 0.08 0.54 -0.14 0.50 -0.00 0.00 0.00 178.15 179.13 2ayx h LYS 933 N 0.61 0.80 -0.14 2.19 3.11 -0.65 -1.56 116.57 120.95 2ayx h LYS 933 Ca 0.03 -0.33 0.01 0.00 -2.81 0.00 0.00 60.65 57.56 2ayx h LYS 933 Cb 1.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 32.23 2ayx h LYS 933 CO 0.10 0.95 0.06 0.37 -2.81 0.00 0.00 179.45 178.12 2ayx h GLN 934 N 0.62 0.13 -0.47 1.90 -0.00 -0.86 0.45 115.11 116.88 2ayx h GLN 934 Ca 0.10 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.71 2ayx h GLN 934 Cb 0.68 -0.03 -0.02 0.00 0.00 0.00 0.00 27.48 28.11 2ayx h GLN 934 CO 0.05 0.09 0.16 1.15 0.00 0.00 0.00 178.83 180.28 2ayx h THR 935 N 0.14 1.22 0.62 2.39 2.02 -1.12 -0.06 112.91 118.11 2ayx h THR 935 Ca 0.06 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 2ayx h THR 935 Cb 0.02 0.80 0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2ayx h THR 935 CO -0.04 0.26 -0.30 -0.07 0.37 0.00 0.00 175.52 175.74 2ayx h LEU 936 N 0.62 -0.70 -0.22 2.58 4.07 -1.08 -2.45 115.31 118.13 2ayx h LEU 936 Ca 0.15 -0.01 0.01 0.00 0.08 0.00 0.00 57.88 58.12 2ayx h LEU 936 Cb 0.24 0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2ayx h LEU 936 CO -0.01 -0.43 0.11 0.74 -1.08 0.00 0.00 178.44 177.77 2ayx h THR 937 N -0.94 1.00 -0.47 0.22 2.02 -0.91 0.17 112.91 114.00 2ayx h THR 937 Ca -0.08 -0.08 0.03 0.00 0.77 0.00 0.00 66.41 67.05 2ayx h THR 937 Cb 0.67 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 2ayx h THR 937 CO 0.14 0.04 0.25 0.25 0.37 0.00 0.00 175.52 176.57 2ayx h LEU 938 N 0.23 0.38 0.04 2.58 5.85 -1.02 -0.56 115.31 122.81 2ayx h LEU 938 Ca 0.09 0.02 -0.24 0.00 0.84 0.00 0.00 57.88 58.59 2ayx h LEU 938 Cb 0.02 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 2ayx h LEU 938 CO -0.06 0.27 -1.13 1.88 -0.34 0.00 0.00 178.44 179.06 2ayx h TYR 939 N 0.50 0.14 -0.58 1.25 0.05 -1.34 -1.77 116.97 115.22 2ayx h TYR 939 Ca 0.20 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 2ayx h TYR 939 Cb 0.08 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 2ayx h TYR 939 CO -0.09 1.09 0.33 0.00 -1.05 0.00 0.00 178.16 178.44 2ayx h ALA 940 N 0.87 0.74 -0.13 3.88 0.00 -0.61 0.32 119.26 124.33 2ayx h ALA 940 Ca -0.07 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.60 2ayx h ALA 940 Cb 1.85 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 2ayx h ALA 940 CO 0.15 0.24 -0.57 1.05 0.00 0.00 0.00 179.25 180.12 2ayx h GLU 941 N 0.79 0.41 -0.13 0.00 4.11 -1.13 -2.39 114.58 116.23 2ayx h GLU 941 Ca 0.21 -0.26 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 2ayx h GLU 941 Cb 0.02 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2ayx h GLU 941 CO -0.04 0.86 0.02 -0.09 0.07 0.00 0.00 179.01 179.84 2ayx h ARG 942 N 0.31 0.22 -0.02 1.06 2.43 -0.78 -0.25 114.38 117.35 2ayx h ARG 942 Ca 0.00 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 2ayx h ARG 942 Cb 1.09 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 2ayx h ARG 942 CO 0.10 0.40 -0.56 -0.39 -1.51 0.00 0.00 179.97 178.01 2ayx h VAL 943 N 0.00 1.40 -0.22 0.20 -1.51 -1.00 -0.57 116.25 114.56 2ayx h VAL 943 Ca 0.04 -1.92 -0.17 0.00 -1.23 0.00 0.00 66.70 63.42 2ayx h VAL 943 Cb 0.29 2.01 -0.00 0.00 -2.13 0.00 0.00 31.29 31.46 2ayx h VAL 943 CO 0.00 0.55 -0.56 0.03 -1.23 0.00 0.00 177.57 176.36 2ayx h ARG 944 N 0.05 0.66 0.00 5.19 3.08 -1.23 -1.26 114.38 120.87 2ayx h ARG 944 Ca -0.00 -0.43 -0.09 0.00 0.07 0.00 0.00 59.98 59.53 2ayx h ARG 944 Cb 1.01 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 2ayx h ARG 944 CO 0.08 1.05 -0.58 1.57 -1.07 0.00 0.00 179.97 181.01 2ayx h LYS 945 N 0.51 0.00 0.00 0.04 2.10 -0.89 0.94 116.57 119.27 2ayx h LYS 945 Ca 0.01 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.51 2ayx h LYS 945 Cb 1.13 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.44 2ayx h LYS 945 CO 0.11 0.35 -0.69 0.77 -2.00 0.00 0.00 179.45 177.99 2ayx h SER 946 N 0.00 0.00 1.47 7.07 0.02 -1.03 -2.72 113.55 118.36 2ayx h SER 946 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2ayx h SER 946 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2ayx h SER 946 CO 0.05 0.69 -0.48 0.03 -1.14 0.00 0.00 176.83 175.98 2ayx h ARG 947 N 0.00 0.00 -4.16 3.45 3.08 -1.18 -3.49 114.38 112.07 2ayx h ARG 947 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 2ayx h ARG 947 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.40 2ayx h ARG 947 CO 0.09 0.00 -0.25 -3.47 -1.07 0.00 0.00 179.97 175.27 2ayx n ASP 948 N -2.83 -5.04 0.00 7.04 2.03 0.10 -5.07 116.55 112.78 2ayx n ASP 948 Ca 0.02 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.60 2ayx n ASP 948 Cb 0.53 -3.25 0.00 0.00 -0.72 0.00 0.00 41.12 37.68 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08