#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 1.82 -0.71 -5.12 0.00 -1.26 -5.05 107.32 97.00 2ayx s GLY 697 Ca 0.00 -1.65 -0.22 0.00 0.00 0.00 0.00 44.72 42.84 2ayx s GLY 697 CO 0.00 -1.54 1.02 -0.32 0.00 0.00 0.00 173.10 172.26 2ayx s GLY 698 N -4.10 1.40 -1.20 0.20 0.00 -1.26 -4.95 107.32 97.42 2ayx s GLY 698 Ca 0.45 -1.94 -0.09 0.00 0.00 0.00 0.00 44.72 43.14 2ayx s GLY 698 CO 0.28 2.12 1.60 1.44 0.00 0.00 0.00 173.10 178.55 2ayx n SER 699 N 7.73 5.53 0.00 1.64 7.64 -1.26 -4.83 113.62 130.07 2ayx n SER 699 Ca 0.01 -3.16 0.00 0.00 1.01 0.00 0.00 58.87 56.73 2ayx n SER 699 Cb 0.46 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.23 2ayx n SER 699 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 700 N 2.62 1.23 0.91 0.23 0.00 -1.26 -5.07 105.19 103.85 2ayx n GLY 700 Ca 0.34 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2ayx n GLY 700 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2ayx n VAL 701 N 0.00 0.00 -4.88 1.61 0.31 -1.26 -5.14 118.33 108.97 2ayx n VAL 701 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ayx n VAL 701 Cb 0.00 -0.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 2ayx n VAL 701 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ayx n GLU 702 N -2.69 0.00 0.00 5.55 -0.58 -1.26 -5.03 120.64 116.63 2ayx n GLU 702 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2ayx n GLU 702 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.24 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ayx n GLY 703 N 0.00 3.71 2.81 0.62 0.00 -1.26 -5.04 105.19 106.03 2ayx n GLY 703 Ca 0.00 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.43 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 7.35 -4.29 0.99 4.77 -1.26 -4.91 117.00 119.66 2ayx n LEU 704 Ca 0.00 -5.05 -0.34 0.00 -0.03 0.00 0.00 56.01 50.59 2ayx n LEU 704 Cb 0.00 -1.08 -0.15 0.00 -2.33 0.00 0.00 43.42 39.87 2ayx n LEU 704 CO 0.00 1.88 -0.43 -0.94 -1.33 0.00 0.00 177.39 176.57 2ayx s SER 705 N -1.28 3.97 0.00 -1.43 1.04 -1.26 -3.61 113.70 111.13 2ayx s SER 705 Ca 0.47 -0.43 0.00 0.00 0.48 0.00 0.00 55.95 56.48 2ayx s SER 705 Cb 0.35 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.82 2ayx s SER 705 CO -0.31 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.56 2ayx n GLY 706 N 4.38 1.44 3.78 7.32 0.00 0.12 -5.02 105.19 117.22 2ayx n GLY 706 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 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 4.02 0.18 1.61 -0.14 -1.24 -4.78 119.74 119.39 2ayx s LYS 707 Ca 0.00 1.51 0.04 0.00 -1.36 0.00 0.00 55.97 56.17 2ayx s LYS 707 Cb 0.00 -2.42 -0.04 0.00 -1.68 0.00 0.00 37.83 33.70 2ayx s LYS 707 CO 0.00 -0.27 0.23 1.03 -0.76 0.00 0.00 175.35 175.59 2ayx s ARG 708 N -2.70 3.18 -0.13 1.68 0.52 -1.26 -0.72 118.95 119.52 2ayx s ARG 708 Ca 0.61 -0.78 -0.04 0.00 -0.52 0.00 0.00 55.73 55.00 2ayx s ARG 708 Cb -0.22 -2.78 0.06 0.00 0.52 0.00 0.00 34.95 32.53 2ayx s ARG 708 CO 0.27 0.48 0.14 0.00 0.02 0.00 0.00 175.30 176.20 2ayx s TRP 710 N 2.24 3.23 -0.13 0.00 0.52 -0.78 -0.71 118.94 123.31 2ayx s TRP 710 Ca 0.04 0.56 0.02 0.00 0.02 0.00 0.00 56.10 56.75 2ayx s TRP 710 Cb -0.14 -2.88 0.00 0.00 -1.15 0.00 0.00 33.47 29.30 2ayx s TRP 710 CO -0.08 -0.41 -0.21 -0.48 0.02 0.00 0.00 176.95 175.80 2ayx s LEU 711 N 2.47 2.23 -0.49 2.99 2.34 -0.93 -0.74 118.68 126.55 2ayx s LEU 711 Ca 0.23 -0.53 0.08 0.00 0.06 0.00 0.00 54.13 53.96 2ayx s LEU 711 Cb -0.15 -1.47 0.36 0.00 -0.56 0.00 0.00 46.19 44.36 2ayx s LEU 711 CO 0.11 0.12 0.90 0.00 -1.06 0.00 0.00 176.35 176.42 2ayx n ALA 712 N 3.79 3.84 -2.62 1.48 0.00 0.43 -2.44 120.51 124.98 2ayx n ALA 712 Ca -0.19 -4.21 -0.38 0.00 0.00 0.00 0.00 53.44 48.66 2ayx n ALA 712 Cb 0.52 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 2ayx n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayx s VAL 713 N -3.88 5.23 0.06 0.00 1.01 -1.25 -2.39 120.40 119.18 2ayx s VAL 713 Ca 0.45 0.46 -0.20 0.00 0.00 0.00 0.00 61.98 62.69 2ayx s VAL 713 Cb 0.32 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.94 2ayx s VAL 713 CO -0.12 0.21 1.47 0.03 0.00 0.00 0.00 175.10 176.69 2ayx h ARG 714 N 8.01 0.33 -6.54 2.72 3.08 -1.95 -3.43 114.38 116.61 2ayx h ARG 714 Ca -0.34 -0.12 -0.52 0.00 0.07 0.00 0.00 59.98 59.07 2ayx h ARG 714 Cb 1.17 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 2ayx h ARG 714 CO 0.64 0.58 0.39 0.54 -1.07 0.00 0.00 179.97 181.05 2ayx s ASN 715 N -5.89 7.41 0.34 7.04 2.20 -1.26 -4.94 114.94 119.85 2ayx s ASN 715 Ca -0.14 1.82 0.26 0.00 -0.94 0.00 0.00 52.86 53.86 2ayx s ASN 715 Cb 0.06 -2.59 0.72 0.00 -2.00 0.00 0.00 41.25 37.44 2ayx s ASN 715 CO 0.73 -0.16 1.73 0.00 -2.94 0.00 0.00 177.10 176.46 2ayx h ALA 716 N 5.88 1.00 0.66 3.54 0.00 -1.98 -2.33 119.26 126.03 2ayx h ALA 716 Ca -0.43 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 2ayx h ALA 716 Cb 1.21 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.01 2ayx h ALA 716 CO 0.73 0.00 -0.32 0.77 0.00 0.00 0.00 179.25 180.44 2ayx h SER 717 N 0.00 -0.75 -0.17 0.00 0.02 -1.96 0.41 113.55 111.11 2ayx h SER 717 Ca 0.00 0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.76 2ayx h SER 717 Cb 0.77 0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.51 2ayx h SER 717 CO 0.00 -0.52 -0.69 0.25 -1.14 0.00 0.00 176.83 174.73 2ayx h LEU 718 N -0.90 0.92 -0.02 5.07 6.46 -1.87 -2.73 115.31 122.24 2ayx h LEU 718 Ca -0.09 -0.56 0.03 0.00 -0.12 0.00 0.00 57.88 57.14 2ayx h LEU 718 Cb 0.68 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.31 2ayx h LEU 718 CO 0.15 1.35 -0.18 0.00 -0.62 0.00 0.00 178.44 179.14 2ayx h GLN 720 N -0.28 0.73 0.35 0.00 4.15 -0.98 -1.80 115.11 117.28 2ayx h GLN 720 Ca 0.06 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 59.17 2ayx h GLN 720 Cb 0.36 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 2ayx h GLN 720 CO -0.18 0.90 -0.25 0.35 -1.93 0.00 0.00 178.83 177.72 2ayx h PHE 721 N 0.53 -0.66 -0.57 3.99 3.57 -1.27 -0.85 116.94 121.69 2ayx h PHE 721 Ca 0.09 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2ayx h PHE 721 Cb 0.65 0.24 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2ayx h PHE 721 CO 0.05 -0.38 0.37 -0.07 -2.23 0.00 0.00 178.31 176.06 2ayx h LEU 722 N -0.59 0.65 -1.17 0.59 -0.00 -1.09 -2.22 115.31 111.48 2ayx h LEU 722 Ca -0.03 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 2ayx h LEU 722 Cb 0.51 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.98 2ayx h LEU 722 CO 0.01 0.48 0.19 1.05 -0.00 0.00 0.00 178.44 180.17 2ayx h GLU 723 N 0.77 0.77 -0.37 1.13 4.11 -1.17 -2.46 114.58 117.35 2ayx h GLU 723 Ca 0.21 -0.12 -0.04 0.00 0.07 0.00 0.00 59.36 59.47 2ayx h GLU 723 Cb -0.08 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2ayx h GLU 723 CO -0.04 0.65 0.06 1.15 0.07 0.00 0.00 179.01 180.90 2ayx h THR 724 N 0.76 1.24 -0.68 -1.06 2.02 -0.56 -0.19 112.91 114.44 2ayx h THR 724 Ca 0.18 -0.84 -0.02 0.00 0.77 0.00 0.00 66.41 66.50 2ayx h THR 724 Cb 0.18 1.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 2ayx h THR 724 CO -0.01 0.29 0.33 0.77 0.37 0.00 0.00 175.52 177.26 2ayx h SER 725 N 0.46 0.87 -0.02 4.18 4.64 -1.12 -0.62 113.55 121.93 2ayx h SER 725 Ca 0.11 -0.09 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 2ayx h SER 725 Cb 0.36 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2ayx h SER 725 CO 0.01 0.73 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.46 2ayx h LEU 726 N 0.96 0.18 0.00 5.97 3.38 -1.23 -3.18 115.31 121.39 2ayx h LEU 726 Ca 0.24 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2ayx h LEU 726 Cb 0.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2ayx h LEU 726 CO -0.03 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.37 2ayx n GLN 727 N -4.58 0.31 0.14 1.13 10.64 -0.10 -1.97 117.38 122.95 2ayx n GLN 727 Ca -0.09 0.08 0.01 0.00 -1.83 0.00 0.00 57.00 55.16 2ayx n GLN 727 Cb 0.44 -1.50 0.15 0.00 -0.86 0.00 0.00 30.24 28.47 2ayx n GLN 727 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 2ayx h ARG 728 N 0.00 0.00 0.00 2.61 2.43 -1.09 -3.42 114.38 114.91 2ayx h ARG 728 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ayx h ARG 728 Cb 0.21 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 2ayx h ARG 728 CO 0.00 0.58 0.00 0.43 -1.51 0.00 0.00 179.97 179.47 2ayx n SER 729 N -3.51 0.00 -1.48 -3.80 7.64 -0.83 -5.01 113.62 106.63 2ayx n SER 729 Ca -0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2ayx n SER 729 Cb 0.66 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2ayx n SER 729 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayx n GLY 730 N 4.41 0.93 3.68 0.23 0.00 -1.23 -4.96 105.19 108.25 2ayx n GLY 730 Ca 0.00 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.12 2ayx n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 731 N -0.27 5.25 -0.72 -0.61 -1.09 -1.01 0.12 121.20 122.86 2ayx s ILE 731 Ca 0.20 0.58 -0.23 0.00 -2.23 0.00 0.00 60.65 58.96 2ayx s ILE 731 Cb 0.25 -3.67 0.07 0.00 -1.58 0.00 0.00 42.46 37.52 2ayx s ILE 731 CO -0.10 0.29 1.08 0.68 -1.23 0.00 0.00 174.94 175.67 2ayx s VAL 732 N 1.12 4.20 -0.29 2.92 -7.23 0.10 -3.66 120.40 117.56 2ayx s VAL 732 Ca 0.16 -0.31 -0.29 0.00 -1.81 0.00 0.00 61.98 59.73 2ayx s VAL 732 Cb -0.14 -4.77 -0.01 0.00 0.56 0.00 0.00 36.38 32.01 2ayx s VAL 732 CO 0.07 -1.58 1.54 0.68 -0.31 0.00 0.00 175.10 175.50 2ayx s VAL 733 N 4.39 3.79 -0.13 1.32 -7.23 -1.26 -2.05 120.40 119.22 2ayx s VAL 733 Ca 0.27 0.86 0.02 0.00 -1.81 0.00 0.00 61.98 61.33 2ayx s VAL 733 Cb -0.13 -3.87 0.00 0.00 0.56 0.00 0.00 36.38 32.94 2ayx s VAL 733 CO 0.08 -0.43 -0.20 -0.89 -0.31 0.00 0.00 175.10 173.36 2ayx s THR 734 N 5.33 2.32 0.03 5.32 2.01 0.11 -4.96 115.64 125.80 2ayx s THR 734 Ca 0.68 -0.91 -0.34 0.00 0.31 0.00 0.00 61.69 61.44 2ayx s THR 734 Cb -0.21 -1.93 -0.12 0.00 0.01 0.00 0.00 72.50 70.24 2ayx s THR 734 CO 0.29 0.54 1.75 0.41 -0.69 0.00 0.00 174.62 176.93 2ayx n THR 735 N 3.86 0.33 -1.81 -0.82 -1.04 -1.26 -2.18 114.28 111.35 2ayx n THR 735 Ca -0.19 -0.06 -0.42 0.00 -2.04 0.00 0.00 64.05 61.34 2ayx n THR 735 Cb 0.52 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 2ayx n THR 735 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ayx n TYR 736 N 5.25 3.47 0.18 -1.42 9.36 -1.02 -4.63 117.16 128.34 2ayx n TYR 736 Ca 0.20 -2.95 0.05 0.00 3.32 0.00 0.00 57.90 58.52 2ayx n TYR 736 Cb 0.30 -2.48 0.23 0.00 -0.63 0.00 0.00 39.34 36.76 2ayx n TYR 736 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2ayx h GLU 737 N 5.98 0.00 0.00 2.98 5.08 -1.89 -3.45 114.58 123.28 2ayx h GLU 737 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 2ayx h GLU 737 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2ayx h GLU 737 CO 1.85 0.39 0.00 0.41 -1.00 0.00 0.00 179.01 180.67 2ayx n GLY 738 N 0.66 -1.37 3.43 -3.84 0.00 -1.26 -5.18 105.19 97.62 2ayx n GLY 738 Ca 0.01 0.37 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 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 0.78 -2.87 1.61 3.00 -1.26 -5.12 117.38 113.53 2ayx n GLN 739 Ca 0.00 -3.20 -0.37 0.00 -0.01 0.00 0.00 57.00 53.42 2ayx n GLN 739 Cb 0.00 0.49 -0.06 0.00 0.00 0.00 0.00 30.24 30.67 2ayx n GLN 739 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ayx s GLU 740 N -3.96 4.52 -0.17 -1.09 2.56 -1.26 -5.03 118.70 114.27 2ayx s GLU 740 Ca 0.21 1.21 -0.27 0.00 0.00 0.00 0.00 54.97 56.12 2ayx s GLU 740 Cb -0.02 -2.86 -0.01 0.00 2.00 0.00 0.00 34.13 33.24 2ayx s GLU 740 CO 0.13 0.33 0.92 -1.25 -0.56 0.00 0.00 175.26 174.84 2ayx s PRO 741 N -1.95 4.32 -0.10 4.30 0.05 -1.26 -5.05 135.00 135.31 2ayx s PRO 741 Ca 0.47 1.19 -0.00 0.00 0.05 0.00 0.00 61.00 62.71 2ayx s PRO 741 Cb -0.19 -3.58 -0.03 0.00 0.05 0.00 0.00 34.50 30.75 2ayx s PRO 741 CO 0.24 -0.40 -0.07 0.99 0.05 0.00 0.00 177.00 177.81 2ayx s THR 742 N 2.37 3.64 -1.81 1.26 2.01 -1.26 -4.83 115.64 117.01 2ayx s THR 742 Ca 0.42 -0.48 0.10 0.00 0.31 0.00 0.00 61.69 62.04 2ayx s THR 742 Cb -0.17 -2.52 0.25 0.00 0.01 0.00 0.00 72.50 70.08 2ayx s THR 742 CO 0.12 0.56 1.11 -0.81 -0.69 0.00 0.00 174.62 174.91 2ayx n PRO 743 N 2.72 0.26 0.00 4.92 -0.04 -1.26 -0.90 135.00 140.71 2ayx n PRO 743 Ca -0.18 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.43 2ayx n PRO 743 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.10 1.50 -4.15 0.54 -0.58 -1.26 -2.98 120.64 112.61 2ayx n GLU 744 Ca 0.07 -0.06 -0.28 0.00 -0.42 0.00 0.00 57.16 56.46 2ayx n GLU 744 Cb 0.05 -1.29 -0.08 0.00 -0.57 0.00 0.00 31.44 29.55 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 -2.54 4.97 0.09 1.62 1.01 -0.07 -4.77 116.67 116.98 2ayx s ASP 745 Ca 0.07 -0.25 0.08 0.00 0.71 0.00 0.00 52.55 53.16 2ayx s ASP 745 Cb 0.13 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.87 2ayx s ASP 745 CO 0.67 0.13 -0.19 0.68 0.21 0.00 0.00 175.17 176.67 2ayx s VAL 746 N -1.50 2.75 -0.12 -1.27 -7.23 -1.26 -0.78 120.40 110.98 2ayx s VAL 746 Ca 0.27 -1.39 -0.03 0.00 -1.81 0.00 0.00 61.98 59.02 2ayx s VAL 746 Cb -0.11 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 2ayx s VAL 746 CO 0.19 0.20 -0.02 -0.22 -0.31 0.00 0.00 175.10 174.94 2ayx s LEU 747 N -1.82 3.39 -0.21 1.32 0.20 -0.08 -1.87 118.68 119.61 2ayx s LEU 747 Ca 0.16 0.00 -0.00 0.00 0.69 0.00 0.00 54.13 54.98 2ayx s LEU 747 Cb -0.10 -1.79 0.02 0.00 -0.43 0.00 0.00 46.19 43.88 2ayx s LEU 747 CO 0.08 0.28 -0.14 -0.63 -0.29 0.00 0.00 176.35 175.64 2ayx s ILE 748 N -0.28 2.44 0.10 6.68 1.01 0.08 -0.47 121.20 130.76 2ayx s ILE 748 Ca 0.05 -0.95 0.08 0.00 0.00 0.00 0.00 60.65 59.83 2ayx s ILE 748 Cb -0.12 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.18 2ayx s ILE 748 CO 0.02 0.40 -0.21 0.42 0.00 0.00 0.00 174.94 175.57 2ayx s THR 749 N 1.31 1.71 -0.25 2.92 -4.23 0.06 -0.43 115.64 116.73 2ayx s THR 749 Ca 0.03 -1.55 -0.03 0.00 -1.18 0.00 0.00 61.69 58.96 2ayx s THR 749 Cb -0.15 -1.56 0.01 0.00 1.34 0.00 0.00 72.50 72.15 2ayx s THR 749 CO -0.09 -0.07 -0.04 -0.62 -0.54 0.00 0.00 174.62 173.26 2ayx s ASP 750 N -1.93 4.38 0.28 3.99 2.15 -1.00 -0.92 116.67 123.62 2ayx s ASP 750 Ca 0.07 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.33 2ayx s ASP 750 Cb -0.10 -1.71 0.00 0.00 -0.30 0.00 0.00 42.92 40.81 2ayx s ASP 750 CO 0.04 -0.10 0.00 1.21 -0.17 0.00 0.00 175.17 176.15 2ayx n GLU 751 N 4.73 -1.37 -2.31 4.34 4.07 0.13 -4.57 120.64 125.65 2ayx n GLU 751 Ca -0.17 0.91 -0.40 0.00 -0.06 0.00 0.00 57.16 57.44 2ayx n GLU 751 Cb 0.48 -1.68 -0.03 0.00 -0.06 0.00 0.00 31.44 30.16 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 -1.36 3.55 -2.47 6.31 1.01 -1.26 -4.70 120.40 121.47 2ayx s VAL 752 Ca 0.00 0.32 0.28 0.00 0.00 0.00 0.00 61.98 62.58 2ayx s VAL 752 Cb 0.00 -4.45 0.52 0.00 0.00 0.00 0.00 36.38 32.45 2ayx s VAL 752 CO 0.00 -1.40 1.72 1.33 0.00 0.00 0.00 175.10 176.75 2ayx n VAL 753 N 6.78 0.00 -3.66 2.92 0.24 -1.26 -4.94 118.33 118.41 2ayx n VAL 753 Ca 0.11 -0.25 -0.25 0.00 -2.04 0.00 0.00 64.34 61.92 2ayx n VAL 753 Cb 0.50 0.53 0.07 0.00 -1.47 0.00 0.00 33.84 33.47 2ayx n VAL 753 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ayx n SER 754 N 0.16 -5.45 -4.19 -1.34 7.64 -1.26 -4.99 113.62 104.19 2ayx n SER 754 Ca 0.18 -0.61 -0.32 0.00 1.01 0.00 0.00 58.87 59.13 2ayx n SER 754 Cb 0.36 -4.76 -0.17 0.00 -1.01 0.00 0.00 64.21 58.63 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 -6.28 3.03 -0.03 1.43 2.47 -1.26 -5.02 119.74 114.08 2ayx s LYS 755 Ca 0.53 -0.86 -0.18 0.00 -1.56 0.00 0.00 55.97 53.90 2ayx s LYS 755 Cb -0.24 -2.38 -0.32 0.00 -1.46 0.00 0.00 37.83 33.42 2ayx s LYS 755 CO 0.76 0.06 0.86 -0.22 0.16 0.00 0.00 175.35 176.97 2ayx h LYS 756 N 7.08 0.39 -4.87 4.03 3.11 -2.04 -3.50 116.57 120.78 2ayx h LYS 756 Ca -0.27 -0.67 0.00 0.00 -2.81 0.00 0.00 60.65 56.89 2ayx h LYS 756 Cb 1.21 0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 32.69 2ayx h LYS 756 CO 0.52 1.32 -0.90 1.87 -2.81 0.00 0.00 179.45 179.45 2ayx n TRP 757 N -3.89 -3.56 -1.48 1.91 -0.00 -1.26 -4.84 117.44 104.32 2ayx n TRP 757 Ca -0.18 1.60 -0.37 0.00 -0.00 0.00 0.00 57.50 58.56 2ayx n TRP 757 Cb 0.97 -3.72 -0.04 0.00 -0.00 0.00 0.00 31.31 28.52 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 0.66 3.77 0.00 5.87 -0.06 -1.26 -4.81 117.38 121.55 2ayx n GLN 758 Ca -0.02 -2.46 0.00 0.00 -2.00 0.00 0.00 57.00 52.53 2ayx n GLN 758 Cb 0.03 -2.66 0.00 0.00 -4.06 0.00 0.00 30.24 23.54 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ayx n GLY 759 N 2.88 4.75 0.09 1.69 0.00 -1.26 -4.22 105.19 109.12 2ayx n GLY 759 Ca 0.70 -1.70 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 2ayx n GLY 759 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ayx h ARG 760 N 0.00 -0.09 -2.53 1.61 2.43 -0.85 -3.42 114.38 111.52 2ayx h ARG 760 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 2ayx h ARG 760 Cb 0.00 0.02 -0.15 0.00 -0.42 0.00 0.00 29.97 29.42 2ayx h ARG 760 CO 0.00 0.47 0.26 0.00 -1.51 0.00 0.00 179.97 179.19 2ayx s ALA 761 N -3.12 -1.70 -0.04 2.80 0.00 -1.22 -4.45 121.76 114.03 2ayx s ALA 761 Ca -0.13 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.68 2ayx s ALA 761 Cb -0.01 0.48 0.03 0.00 0.00 0.00 0.00 23.12 23.62 2ayx s ALA 761 CO 0.50 -0.62 0.06 0.54 0.00 0.00 0.00 175.76 176.25 2ayx s VAL 762 N -2.78 -0.08 -0.37 0.00 0.11 0.18 -0.91 120.40 116.55 2ayx s VAL 762 Ca -0.02 0.28 -0.04 0.00 -2.93 0.00 0.00 61.98 59.26 2ayx s VAL 762 Cb -0.01 -0.14 0.08 0.00 -1.53 0.00 0.00 36.38 34.78 2ayx s VAL 762 CO -0.05 0.11 0.14 -0.69 -3.33 0.00 0.00 175.10 171.29 2ayx s VAL 763 N 1.44 3.48 -0.28 2.04 1.01 0.38 -0.70 120.40 127.78 2ayx s VAL 763 Ca -0.05 -1.59 -0.13 0.00 0.00 0.00 0.00 61.98 60.21 2ayx s VAL 763 Cb -0.12 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 2ayx s VAL 763 CO -0.04 -0.41 0.29 -0.89 0.00 0.00 0.00 175.10 174.05 2ayx s THR 764 N 1.27 5.23 -0.10 3.92 2.01 0.10 -0.76 115.64 127.31 2ayx s THR 764 Ca 0.02 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.08 2ayx s THR 764 Cb -0.21 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.64 2ayx s THR 764 CO -0.01 0.18 1.15 -0.36 -0.69 0.00 0.00 174.62 174.89 2ayx s PHE 765 N 1.93 3.23 -0.14 4.92 0.40 -0.09 -2.27 117.98 125.96 2ayx s PHE 765 Ca 0.11 1.30 -0.14 0.00 -0.60 0.00 0.00 56.93 57.60 2ayx s PHE 765 Cb -0.16 -3.36 -0.05 0.00 0.51 0.00 0.00 43.02 39.96 2ayx s PHE 765 CO 0.10 -1.03 0.32 0.00 0.70 0.00 0.00 175.22 175.31 2ayx n ARG 767 N 3.32 0.00 -0.01 0.00 3.00 -1.26 -4.20 116.66 117.51 2ayx n ARG 767 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.72 2ayx n ARG 767 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 32.46 32.95 2ayx n ARG 767 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2ayx n ARG 768 N -2.57 3.75 -4.87 -0.14 5.12 -1.26 -5.02 116.66 111.68 2ayx n ARG 768 Ca 0.00 -0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 2ayx n ARG 768 Cb 0.00 -1.03 -0.14 0.00 -1.16 0.00 0.00 32.46 30.12 2ayx n ARG 768 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ayx s HIS 769 N -2.03 2.73 0.22 -1.55 2.46 -1.26 -5.12 115.29 110.74 2ayx s HIS 769 Ca -0.01 -0.48 0.01 0.00 0.47 0.00 0.00 55.06 55.05 2ayx s HIS 769 Cb 0.00 -1.74 -0.04 0.00 -0.13 0.00 0.00 32.58 30.67 2ayx s HIS 769 CO 0.05 -0.07 0.39 0.42 -2.47 0.00 0.00 174.74 173.06 2ayx s ILE 770 N -0.09 5.22 0.00 0.89 1.09 -1.26 -4.42 121.20 122.63 2ayx s ILE 770 Ca -0.02 -0.53 0.00 0.00 -1.10 0.00 0.00 60.65 58.99 2ayx s ILE 770 Cb -0.14 -3.77 0.00 0.00 -1.06 0.00 0.00 42.46 37.49 2ayx s ILE 770 CO 0.04 -0.24 0.00 0.61 -0.10 0.00 0.00 174.94 175.25 2ayx n GLY 771 N -0.93 0.27 3.66 6.18 0.00 -1.26 -4.96 105.19 108.16 2ayx n GLY 771 Ca -0.06 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 4.96 0.00 -0.61 -1.09 -1.26 -5.03 121.20 118.17 2ayx s ILE 772 Ca 0.00 1.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.81 2ayx s ILE 772 Cb 0.00 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2ayx s ILE 772 CO 0.00 0.07 0.19 -2.65 -1.23 0.00 0.00 174.94 171.32 2ayx n PRO 773 N 5.16 0.00 -1.85 2.79 -0.02 -1.26 -4.98 135.00 134.84 2ayx n PRO 773 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2ayx n PRO 773 Cb 0.49 -0.65 0.00 0.00 -0.02 0.00 0.00 33.50 33.32 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 -0.22 0.00 -4.06 2.45 -0.00 -1.26 -4.75 117.00 109.16 2ayx n LEU 774 Ca 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.72 2ayx n LEU 774 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.30 2ayx n LEU 774 CO 0.00 0.00 1.28 -0.62 -0.00 0.00 0.00 177.39 178.05 2ayx n GLU 775 N 0.00 0.09 -0.01 1.47 4.71 -0.39 -3.95 120.64 122.57 2ayx n GLU 775 Ca 0.00 -1.39 -0.01 0.00 -0.01 0.00 0.00 57.16 55.75 2ayx n GLU 775 Cb 0.00 -3.25 -0.00 0.00 -1.01 0.00 0.00 31.44 27.17 2ayx n GLU 775 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2ayx n LYS 776 N 8.06 0.02 -2.77 3.49 4.76 -1.26 -5.00 118.16 125.46 2ayx n LYS 776 Ca 0.44 0.01 -0.23 0.00 -2.87 0.00 0.00 58.31 55.66 2ayx n LYS 776 Cb 0.45 -0.75 0.02 0.00 -1.84 0.00 0.00 35.03 32.91 2ayx n LYS 776 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ayx s ALA 777 N -2.02 3.67 -0.75 7.82 0.00 -1.25 -4.96 121.76 124.27 2ayx s ALA 777 Ca -0.02 -1.04 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 2ayx s ALA 777 Cb 0.01 -2.24 -0.12 0.00 0.00 0.00 0.00 23.12 20.77 2ayx s ALA 777 CO 0.02 -0.57 2.37 -1.25 0.00 0.00 0.00 175.76 176.33 2ayx s PRO 778 N -4.71 1.75 0.00 0.00 0.04 -1.26 -1.69 135.00 129.13 2ayx s PRO 778 Ca 0.52 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2ayx s PRO 778 Cb -0.10 -4.76 0.00 0.00 0.04 0.00 0.00 34.50 29.67 2ayx s PRO 778 CO 0.40 -4.18 0.00 0.41 0.04 0.00 0.00 177.00 173.67 2ayx n GLY 779 N 6.67 0.97 3.66 0.56 0.00 -1.26 -4.74 105.19 111.06 2ayx n GLY 779 Ca 0.44 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.52 4.25 0.02 1.61 2.12 -0.68 -0.65 118.70 124.85 2ayx s GLU 780 Ca 0.00 1.02 0.03 0.00 0.36 0.00 0.00 54.97 56.38 2ayx s GLU 780 Cb 0.00 -3.61 -0.01 0.00 0.26 0.00 0.00 34.13 30.77 2ayx s GLU 780 CO 0.00 -0.42 -0.09 -1.58 -0.54 0.00 0.00 175.26 172.62 2ayx s TRP 781 N 2.49 0.82 0.09 5.30 0.52 0.12 -1.27 118.94 127.01 2ayx s TRP 781 Ca 0.37 -0.26 0.03 0.00 0.02 0.00 0.00 56.10 56.26 2ayx s TRP 781 Cb -0.16 -0.50 -0.04 0.00 -1.15 0.00 0.00 33.47 31.62 2ayx s TRP 781 CO 0.10 -0.01 -0.08 0.14 0.02 0.00 0.00 176.95 177.11 2ayx s VAL 782 N -0.60 0.78 -0.28 4.03 -7.23 -1.26 -0.72 120.40 115.12 2ayx s VAL 782 Ca -0.00 -1.68 -0.27 0.00 -1.81 0.00 0.00 61.98 58.22 2ayx s VAL 782 Cb -0.06 -1.38 0.18 0.00 0.56 0.00 0.00 36.38 35.68 2ayx s VAL 782 CO 0.00 -0.67 1.31 -2.28 -0.31 0.00 0.00 175.10 173.16 2ayx s HIS 783 N -2.79 -0.14 -0.45 2.82 2.46 -0.96 -4.93 115.29 111.29 2ayx s HIS 783 Ca 0.06 0.30 -0.10 0.00 0.47 0.00 0.00 55.06 55.79 2ayx s HIS 783 Cb -0.00 0.47 0.10 0.00 -0.13 0.00 0.00 32.58 33.01 2ayx s HIS 783 CO -0.02 -0.09 0.32 -1.12 -2.47 0.00 0.00 174.74 171.36 2ayx s SER 784 N -0.41 5.74 0.05 9.88 0.01 -1.26 -2.14 113.70 125.57 2ayx s SER 784 Ca 0.06 -1.66 -0.14 0.00 1.31 0.00 0.00 55.95 55.52 2ayx s SER 784 Cb -0.03 -2.03 0.02 0.00 0.21 0.00 0.00 66.02 64.19 2ayx s SER 784 CO -0.10 -0.63 0.32 0.68 0.41 0.00 0.00 173.24 173.93 2ayx s VAL 785 N 1.43 0.08 -2.09 3.43 -7.23 -1.26 -5.01 120.40 109.75 2ayx s VAL 785 Ca 0.04 -0.65 0.13 0.00 -1.81 0.00 0.00 61.98 59.69 2ayx s VAL 785 Cb -0.25 -0.96 0.34 0.00 0.56 0.00 0.00 36.38 36.07 2ayx s VAL 785 CO 0.01 -0.36 1.37 0.00 -0.31 0.00 0.00 175.10 175.82 2ayx n ALA 786 N 0.50 2.50 -3.27 1.32 0.00 -1.26 -4.95 120.51 115.35 2ayx n ALA 786 Ca -0.18 -0.42 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 2ayx n ALA 786 Cb 0.60 -1.06 0.04 0.00 0.00 0.00 0.00 19.45 19.03 2ayx n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayx n ALA 787 N 0.12 -2.52 0.17 0.00 0.00 -1.26 -4.79 120.51 112.24 2ayx n ALA 787 Ca 0.12 0.03 -0.13 0.00 0.00 0.00 0.00 53.44 53.45 2ayx n ALA 787 Cb 0.23 -4.00 -0.08 0.00 0.00 0.00 0.00 19.45 15.60 2ayx n ALA 787 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2ayx h PRO 788 N -0.67 -0.43 0.00 0.00 0.11 -2.02 -3.46 132.00 125.53 2ayx h PRO 788 Ca -0.42 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2ayx h PRO 788 Cb 1.22 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2ayx h PRO 788 CO 0.40 -0.12 0.00 -2.39 -0.21 0.00 0.00 178.00 175.68 2ayx n HIS 789 N -5.15 0.00 -0.02 0.65 1.44 -1.26 -4.98 115.22 105.90 2ayx n HIS 789 Ca -0.10 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.47 2ayx n HIS 789 Cb 0.27 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.34 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 0.42 -1.40 9.09 -1.99 -2.98 114.58 118.43 2ayx h GLU 790 Ca 0.00 -0.54 -0.02 0.00 0.05 0.00 0.00 59.36 58.85 2ayx h GLU 790 Cb 0.00 0.10 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 2ayx h GLU 790 CO 0.00 1.16 -0.20 1.25 0.05 0.00 0.00 179.01 181.27 2ayx h LEU 791 N 0.51 -0.48 -2.26 3.06 7.12 -1.93 -0.03 115.31 121.30 2ayx h LEU 791 Ca -0.03 -0.04 0.03 0.00 0.13 0.00 0.00 57.88 57.97 2ayx h LEU 791 Cb 1.31 0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.56 2ayx h LEU 791 CO 0.14 -0.26 0.11 1.55 -0.13 0.00 0.00 178.44 179.85 2ayx h PRO 792 N -0.67 0.00 -0.25 5.25 0.13 -1.91 -1.15 132.00 133.40 2ayx h PRO 792 Ca -0.06 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.89 2ayx h PRO 792 Cb 0.49 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.62 2ayx h PRO 792 CO 0.09 0.00 -0.57 0.00 -0.23 0.00 0.00 178.00 177.30 2ayx h ALA 793 N 1.89 0.40 -0.30 -0.56 0.00 -1.27 -0.15 119.26 119.28 2ayx h ALA 793 Ca 0.05 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.45 2ayx h ALA 793 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2ayx h ALA 793 CO -0.00 0.63 0.19 1.25 0.00 0.00 0.00 179.25 181.32 2ayx h LEU 794 N 0.58 0.31 -0.92 0.00 7.12 0.20 -0.73 115.31 121.87 2ayx h LEU 794 Ca -0.00 -0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.90 2ayx h LEU 794 Cb 1.18 -0.07 -0.02 0.00 -0.53 0.00 0.00 40.66 41.23 2ayx h LEU 794 CO 0.12 0.23 -0.53 -0.07 -0.13 0.00 0.00 178.44 178.06 2ayx h LEU 795 N 0.38 0.00 -0.29 2.25 4.07 -1.36 -0.37 115.31 119.99 2ayx h LEU 795 Ca 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 2ayx h LEU 795 Cb -0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 2ayx h LEU 795 CO -0.04 0.53 0.13 0.00 -1.08 0.00 0.00 178.44 177.98 2ayx h ALA 796 N 1.47 0.38 -0.26 1.53 0.00 -0.59 -1.88 119.26 119.91 2ayx h ALA 796 Ca -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2ayx h ALA 796 Cb 0.95 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2ayx h ALA 796 CO 0.07 -0.05 -0.07 -0.09 0.00 0.00 0.00 179.25 179.11 2ayx h ARG 797 N 0.33 0.41 -0.20 0.00 2.43 -0.81 0.36 114.38 116.90 2ayx h ARG 797 Ca 0.10 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2ayx h ARG 797 Cb 0.14 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2ayx h ARG 797 CO -0.01 0.49 0.03 0.82 -1.51 0.00 0.00 179.97 179.79 2ayx h ILE 798 N 0.39 1.12 -0.53 1.20 2.04 -0.53 -1.52 117.51 119.68 2ayx h ILE 798 Ca 0.08 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.52 2ayx h ILE 798 Cb 0.37 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2ayx h ILE 798 CO 0.02 0.15 0.00 -1.22 0.00 0.00 0.00 178.15 177.09 2ayx n TYR 799 N -4.40 1.30 -3.52 1.37 4.01 -0.75 -4.95 117.16 110.21 2ayx n TYR 799 Ca -0.00 -0.66 -0.22 0.00 -0.16 0.00 0.00 57.90 56.86 2ayx n TYR 799 Cb 0.16 -0.25 0.08 0.00 -0.31 0.00 0.00 39.34 39.02 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 0.69 -3.41 -3.72 7.72 4.77 -0.57 -4.90 117.00 117.59 2ayx n LEU 800 Ca 0.23 -0.52 -0.42 0.00 -0.03 0.00 0.00 56.01 55.28 2ayx n LEU 800 Cb 0.86 -2.92 -0.00 0.00 -2.33 0.00 0.00 43.42 39.03 2ayx n LEU 800 CO 0.21 0.60 2.22 -0.38 -1.33 0.00 0.00 177.39 178.71 2ayx n ILE 801 N -4.78 4.51 -1.63 -0.08 2.08 0.12 -4.89 119.36 114.69 2ayx n ILE 801 Ca -0.02 -4.16 -0.41 0.00 0.56 0.00 0.00 62.75 58.72 2ayx n ILE 801 Cb 0.57 -2.32 -0.03 0.00 -0.75 0.00 0.00 39.64 37.11 2ayx n ILE 801 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ayx n GLU 802 N 3.44 2.17 -1.76 0.38 1.02 -1.26 -4.38 120.64 120.24 2ayx n GLU 802 Ca 0.49 -2.35 0.00 0.00 -0.02 0.00 0.00 57.16 55.29 2ayx n GLU 802 Cb 0.33 -3.21 0.06 0.00 -0.02 0.00 0.00 31.44 28.59 2ayx n GLU 802 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ayx n MET 803 N 7.03 1.11 -4.02 3.49 0.00 -1.26 -5.08 117.12 118.38 2ayx n MET 803 Ca 0.50 -2.85 -0.14 0.00 0.00 0.00 0.00 57.70 55.21 2ayx n MET 803 Cb 0.41 -0.94 -0.02 0.00 0.00 0.00 0.00 33.22 32.67 2ayx n MET 803 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 2ayx s GLU 804 N -1.95 2.04 0.00 3.17 0.41 -1.26 -5.02 118.70 116.09 2ayx s GLU 804 Ca 0.34 -1.72 -0.01 0.00 -0.41 0.00 0.00 54.97 53.17 2ayx s GLU 804 Cb 0.37 0.49 -0.06 0.00 -1.78 0.00 0.00 34.13 33.15 2ayx s GLU 804 CO -0.10 -0.88 1.99 0.43 -0.49 0.00 0.00 175.26 176.22 2ayx n SER 805 N -1.51 4.21 -4.62 -0.19 7.64 -1.26 -4.85 113.62 113.05 2ayx n SER 805 Ca -0.01 -2.16 -0.43 0.00 1.01 0.00 0.00 58.87 57.27 2ayx n SER 805 Cb 0.61 -0.96 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 2ayx n SER 805 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayx s ASP 806 N 2.06 6.50 -0.20 6.43 2.15 -1.26 -4.97 116.67 127.38 2ayx s ASP 806 Ca 0.16 1.02 -0.29 0.00 0.43 0.00 0.00 52.55 53.87 2ayx s ASP 806 Cb 0.07 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 2ayx s ASP 806 CO 0.00 -1.26 1.07 -0.62 -0.17 0.00 0.00 175.17 174.20 2ayx s ASP 807 N 3.37 7.10 -0.73 -0.34 2.15 -1.26 -4.93 116.67 122.03 2ayx s ASP 807 Ca 0.59 1.46 -0.21 0.00 0.43 0.00 0.00 52.55 54.82 2ayx s ASP 807 Cb -0.15 -2.54 -0.16 0.00 -0.30 0.00 0.00 42.92 39.77 2ayx s ASP 807 CO 0.28 -0.65 1.91 -2.65 -0.17 0.00 0.00 175.17 173.90 2ayx n PRO 808 N 6.13 1.46 -3.80 4.34 -0.02 -1.26 -4.79 135.00 137.06 2ayx n PRO 808 Ca 0.12 -1.75 -0.13 0.00 -2.02 0.00 0.00 63.50 59.72 2ayx n PRO 808 Cb 0.46 -2.84 -0.13 0.00 -0.02 0.00 0.00 33.50 30.98 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 4.96 -0.44 -1.11 3.55 0.00 -1.26 -4.86 121.76 122.60 2ayx s ALA 809 Ca 0.56 0.57 -0.05 0.00 0.00 0.00 0.00 51.96 53.04 2ayx s ALA 809 Cb 0.14 -0.34 0.01 0.00 0.00 0.00 0.00 23.12 22.92 2ayx s ALA 809 CO 0.12 -0.10 0.95 -1.71 0.00 0.00 0.00 175.76 175.02 2ayx n ASN 810 N 3.21 -4.36 -2.98 0.00 5.15 -1.26 -4.98 115.26 110.04 2ayx n ASN 810 Ca -0.15 -0.49 -0.15 0.00 -0.60 0.00 0.00 54.58 53.20 2ayx n ASN 810 Cb 0.58 -4.39 -0.02 0.00 -0.53 0.00 0.00 39.78 35.41 2ayx n ASN 810 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayx n ALA 811 N -4.28 0.26 -2.63 5.20 0.00 -1.26 -5.11 120.51 112.69 2ayx n ALA 811 Ca -0.09 -2.15 -0.43 0.00 0.00 0.00 0.00 53.44 50.77 2ayx n ALA 811 Cb 0.59 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 2ayx n ALA 811 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ayx s LEU 812 N -0.36 3.89 0.28 0.00 0.20 -1.26 -5.02 118.68 116.42 2ayx s LEU 812 Ca 0.33 0.92 -0.29 0.00 0.69 0.00 0.00 54.13 55.78 2ayx s LEU 812 Cb 0.13 -3.52 -0.09 0.00 -0.43 0.00 0.00 46.19 42.28 2ayx s LEU 812 CO -0.16 -0.93 1.08 -2.16 -0.29 0.00 0.00 176.35 173.89 2ayx s PRO 813 N 3.75 4.64 0.67 0.98 0.04 -1.26 -5.04 135.00 138.78 2ayx s PRO 813 Ca 0.45 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 2ayx s PRO 813 Cb -0.11 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2ayx s PRO 813 CO 0.18 0.22 1.07 -1.12 0.04 0.00 0.00 177.00 177.39 2ayx s SER 814 N -0.93 5.75 -0.36 6.66 0.01 -1.26 -4.94 113.70 118.63 2ayx s SER 814 Ca 0.45 1.23 -0.27 0.00 1.31 0.00 0.00 55.95 58.67 2ayx s SER 814 Cb -0.31 -2.13 -0.05 0.00 0.21 0.00 0.00 66.02 63.73 2ayx s SER 814 CO 0.40 -1.15 2.23 0.42 0.41 0.00 0.00 173.24 175.55 2ayx s THR 815 N -3.28 3.07 -1.56 1.44 -4.23 -1.26 -4.85 115.64 104.97 2ayx s THR 815 Ca 0.57 0.06 -0.09 0.00 -1.18 0.00 0.00 61.69 61.05 2ayx s THR 815 Cb -0.11 -3.13 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 2ayx s THR 815 CO 0.52 -0.10 2.83 0.47 -0.54 0.00 0.00 174.62 177.81 2ayx n ASP 816 N 13.32 8.60 -2.32 3.99 8.00 -1.26 -4.56 116.55 142.32 2ayx n ASP 816 Ca 0.31 -2.70 -0.29 0.00 0.71 0.00 0.00 54.79 52.82 2ayx n ASP 816 Cb 0.50 -1.52 0.03 0.00 -0.02 0.00 0.00 41.12 40.11 2ayx n ASP 816 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 2ayx n LYS 817 N 3.17 3.28 -4.06 -1.24 4.81 -1.26 -5.01 118.16 117.85 2ayx n LYS 817 Ca 0.75 -4.01 -0.11 0.00 -0.87 0.00 0.00 58.31 54.07 2ayx n LYS 817 Cb 0.23 -2.27 -0.06 0.00 0.02 0.00 0.00 35.03 32.96 2ayx n LYS 817 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ayx s ALA 818 N -3.69 0.33 0.17 3.14 0.00 -1.26 -5.18 121.76 115.27 2ayx s ALA 818 Ca 0.53 -1.23 0.07 0.00 0.00 0.00 0.00 51.96 51.33 2ayx s ALA 818 Cb 0.43 1.15 -0.04 0.00 0.00 0.00 0.00 23.12 24.66 2ayx s ALA 818 CO -0.09 -0.79 -0.14 0.54 0.00 0.00 0.00 175.76 175.28 2ayx s VAL 819 N -3.70 1.55 -0.07 0.00 0.11 -1.26 -5.08 120.40 111.95 2ayx s VAL 819 Ca 0.28 -2.04 -0.04 0.00 -2.93 0.00 0.00 61.98 57.24 2ayx s VAL 819 Cb 0.01 -1.87 -0.01 0.00 -1.53 0.00 0.00 36.38 32.97 2ayx s VAL 819 CO 0.13 -0.55 -0.08 0.28 -3.33 0.00 0.00 175.10 171.55 2ayx h SER 820 N 2.89 0.00 -0.60 3.54 0.02 -1.96 -3.45 113.55 114.00 2ayx h SER 820 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2ayx h SER 820 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2ayx h SER 820 CO 0.58 0.40 0.00 -0.67 -1.14 0.00 0.00 176.83 176.00 2ayx n ASP 821 N -3.58 0.00 0.00 3.07 -0.08 -1.26 -5.03 116.55 109.67 2ayx n ASP 821 Ca -0.03 -0.58 0.00 0.00 -1.51 0.00 0.00 54.79 52.66 2ayx n ASP 821 Cb 0.12 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.58 2ayx n ASP 821 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2ayx n ASN 822 N -0.61 1.54 -2.52 1.67 5.15 -1.26 -5.13 115.26 114.11 2ayx n ASN 822 Ca 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 54.58 53.94 2ayx n ASN 822 Cb 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 39.78 39.22 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 -2.39 -3.73 0.00 1.20 2.03 -1.26 -5.09 116.55 107.32 2ayx n ASP 823 Ca 0.00 1.56 0.00 0.00 0.52 0.00 0.00 54.79 56.87 2ayx n ASP 823 Cb 0.31 -5.28 0.00 0.00 -0.72 0.00 0.00 41.12 35.43 2ayx n ASP 823 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2ayx n ASP 824 N 1.78 0.00 -3.73 1.67 2.03 -1.26 -5.17 116.55 111.88 2ayx n ASP 824 Ca -0.27 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 54.90 2ayx n ASP 824 Cb 0.42 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.73 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 3.35 0.51 -0.06 -0.67 0.00 -1.26 -5.11 119.30 116.06 2ayx s MET 825 Ca 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 55.69 56.20 2ayx s MET 825 Cb 0.00 0.24 0.03 0.00 0.00 0.00 0.00 34.83 35.10 2ayx s MET 825 CO 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 175.02 174.93 2ayx s MET 826 N 0.09 0.69 -0.07 4.11 0.23 -1.26 -1.94 119.30 121.15 2ayx s MET 826 Ca -0.01 0.03 -0.00 0.00 -1.03 0.00 0.00 55.69 54.67 2ayx s MET 826 Cb -0.03 -0.93 -0.03 0.00 -1.53 0.00 0.00 34.83 32.31 2ayx s MET 826 CO 0.01 -0.23 -0.02 0.42 -2.03 0.00 0.00 175.02 173.17 2ayx s ILE 827 N 1.60 4.08 -0.27 3.16 -1.09 0.19 -0.77 121.20 128.10 2ayx s ILE 827 Ca -0.01 -0.38 -0.07 0.00 -2.23 0.00 0.00 60.65 57.96 2ayx s ILE 827 Cb -0.13 -2.72 -0.02 0.00 -1.58 0.00 0.00 42.46 38.02 2ayx s ILE 827 CO -0.04 0.57 0.08 -0.22 -1.23 0.00 0.00 174.94 174.10 2ayx s LEU 828 N -0.96 3.60 -0.36 2.97 2.96 -0.37 -0.88 118.68 125.62 2ayx s LEU 828 Ca 0.14 -0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 2ayx s LEU 828 Cb -0.11 -1.92 0.03 0.00 0.50 0.00 0.00 46.19 44.69 2ayx s LEU 828 CO 0.03 -0.09 0.17 0.68 -1.32 0.00 0.00 176.35 175.83 2ayx s VAL 829 N 1.59 4.29 -0.44 1.68 -7.23 0.22 -1.83 120.40 118.68 2ayx s VAL 829 Ca 0.05 -0.98 -0.06 0.00 -1.81 0.00 0.00 61.98 59.18 2ayx s VAL 829 Cb -0.16 -3.42 0.11 0.00 0.56 0.00 0.00 36.38 33.48 2ayx s VAL 829 CO 0.03 -0.23 0.28 -0.69 -0.31 0.00 0.00 175.10 174.18 2ayx s VAL 830 N 1.50 3.81 0.09 1.32 1.01 -0.64 -1.70 120.40 125.79 2ayx s VAL 830 Ca 0.01 -1.88 0.06 0.00 0.00 0.00 0.00 61.98 60.18 2ayx s VAL 830 Cb -0.19 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 2ayx s VAL 830 CO 0.05 -0.72 -0.09 -0.62 0.00 0.00 0.00 175.10 173.73 2ayx s ASP 831 N 2.28 4.47 0.13 3.32 -1.08 -0.94 -0.49 116.67 124.35 2ayx s ASP 831 Ca 0.06 -0.34 0.20 0.00 -0.52 0.00 0.00 52.55 51.96 2ayx s ASP 831 Cb -0.25 -0.90 -0.08 0.00 -1.46 0.00 0.00 42.92 40.24 2ayx s ASP 831 CO -0.02 0.19 0.91 -0.90 0.52 0.00 0.00 175.17 175.87 2ayx n ASP 832 N 0.80 0.77 -4.26 -0.34 5.75 -0.97 -4.38 116.55 113.93 2ayx n ASP 832 Ca -0.13 0.31 -0.36 0.00 -0.01 0.00 0.00 54.79 54.60 2ayx n ASP 832 Cb 0.52 0.48 -0.13 0.00 -1.03 0.00 0.00 41.12 40.96 2ayx n ASP 832 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 2ayx s HIS 833 N -3.21 3.15 0.24 2.11 3.76 -1.26 -4.98 115.29 115.10 2ayx s HIS 833 Ca -0.02 -1.37 -0.06 0.00 -0.15 0.00 0.00 55.06 53.46 2ayx s HIS 833 Cb 0.09 -2.16 0.45 0.00 1.11 0.00 0.00 32.58 32.08 2ayx s HIS 833 CO 0.81 -0.68 1.67 -1.00 -0.85 0.00 0.00 174.74 174.68 2ayx h PRO 834 N 8.12 0.19 -0.46 8.40 0.13 -1.98 0.13 132.00 146.53 2ayx h PRO 834 Ca -0.29 -0.01 0.05 0.00 -0.87 0.00 0.00 66.00 64.88 2ayx h PRO 834 Cb 1.10 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.14 2ayx h PRO 834 CO 0.58 0.13 0.19 0.97 -0.23 0.00 0.00 178.00 179.64 2ayx h ILE 835 N 0.20 0.89 -0.01 -3.56 2.10 -2.00 -0.89 117.51 114.24 2ayx h ILE 835 Ca 0.41 -0.13 -0.22 0.00 1.08 0.00 0.00 64.86 66.01 2ayx h ILE 835 Cb 0.72 0.48 -0.00 0.00 -1.09 0.00 0.00 36.82 36.93 2ayx h ILE 835 CO -0.56 0.07 -0.91 0.78 -1.08 0.00 0.00 178.15 176.44 2ayx h ASN 836 N 0.38 0.47 -0.59 2.19 4.21 -1.71 -2.58 115.58 117.94 2ayx h ASN 836 Ca 0.21 -0.37 0.10 0.00 1.21 0.00 0.00 56.30 57.45 2ayx h ASN 836 Cb 0.18 -0.14 -0.08 0.00 -1.12 0.00 0.00 38.32 37.16 2ayx h ASN 836 CO -0.19 1.17 0.18 -0.09 -1.29 0.00 0.00 177.43 177.20 2ayx h ARG 837 N 0.21 0.33 -0.65 0.81 1.12 -0.25 -0.07 114.38 115.88 2ayx h ARG 837 Ca -0.07 -0.02 -0.09 0.00 -1.11 0.00 0.00 59.98 58.69 2ayx h ARG 837 Cb 1.54 -0.07 -0.02 0.00 -0.01 0.00 0.00 29.97 31.40 2ayx h ARG 837 CO 0.15 0.22 0.06 -0.09 -3.11 0.00 0.00 179.97 177.20 2ayx h ARG 838 N 0.33 1.10 0.35 0.20 1.12 -1.12 -2.09 114.38 114.29 2ayx h ARG 838 Ca 0.30 -0.32 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 2ayx h ARG 838 Cb 0.41 -0.12 0.00 0.00 -0.01 0.00 0.00 29.97 30.26 2ayx h ARG 838 CO -0.34 1.04 -0.17 1.25 -3.11 0.00 0.00 179.97 178.64 2ayx h LEU 839 N 1.02 -0.40 -0.47 3.80 5.85 -0.67 -0.86 115.31 123.58 2ayx h LEU 839 Ca 0.19 -0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 2ayx h LEU 839 Cb 0.50 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2ayx h LEU 839 CO 0.02 -0.26 -0.72 0.17 -0.34 0.00 0.00 178.44 177.31 2ayx h LEU 840 N -0.51 0.32 -0.35 2.25 -0.00 -1.18 -2.49 115.31 113.34 2ayx h LEU 840 Ca -0.05 -0.21 -0.03 0.00 -0.00 0.00 0.00 57.88 57.60 2ayx h LEU 840 Cb 0.38 -0.09 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 2ayx h LEU 840 CO 0.08 0.93 0.12 0.00 -0.00 0.00 0.00 178.44 179.57 2ayx h ALA 841 N 1.06 0.46 -0.57 0.17 0.00 -1.29 0.18 119.26 119.28 2ayx h ALA 841 Ca -0.02 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 2ayx h ALA 841 Cb 1.28 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 2ayx h ALA 841 CO 0.11 0.09 -0.01 0.22 0.00 0.00 0.00 179.25 179.66 2ayx h ASP 842 N 0.42 0.96 0.33 0.00 3.58 -1.14 -2.51 116.42 118.06 2ayx h ASP 842 Ca 0.12 -0.27 -0.13 0.00 0.42 0.00 0.00 57.03 57.17 2ayx h ASP 842 Cb 0.23 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 2ayx h ASP 842 CO -0.01 1.02 -0.52 1.56 -2.88 0.00 0.00 179.24 178.42 2ayx h GLN 843 N 0.90 0.22 -0.66 0.28 1.08 -1.24 -1.90 115.11 113.79 2ayx h GLN 843 Ca 0.16 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2ayx h GLN 843 Cb 0.54 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 2ayx h GLN 843 CO 0.03 0.69 0.37 1.25 -0.95 0.00 0.00 178.83 180.22 2ayx h LEU 844 N 0.17 0.81 -0.94 1.46 6.46 -0.71 -1.87 115.31 120.69 2ayx h LEU 844 Ca 0.00 -0.06 -0.06 0.00 -0.12 0.00 0.00 57.88 57.64 2ayx h LEU 844 Cb 0.98 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.68 2ayx h LEU 844 CO 0.08 0.65 0.07 1.23 -0.62 0.00 0.00 178.44 179.85 2ayx h GLY 845 N 0.97 0.91 2.00 3.75 0.00 -0.93 -2.48 103.07 107.30 2ayx h GLY 845 Ca 0.24 -0.57 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 2ayx h GLY 845 CO -0.04 0.53 -0.24 1.76 0.00 0.00 0.00 176.54 178.55 2ayx h SER 846 N 0.80 0.00 0.87 0.19 0.02 -0.80 -1.30 113.55 113.34 2ayx h SER 846 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2ayx h SER 846 Cb 0.38 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2ayx h SER 846 CO 0.01 0.24 0.00 0.18 -1.14 0.00 0.00 176.83 176.12 2ayx n LEU 847 N -3.78 0.48 -0.00 5.07 4.77 -0.83 -4.89 117.00 117.83 2ayx n LEU 847 Ca -0.01 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 2ayx n LEU 847 Cb 0.34 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 2ayx n LEU 847 CO 0.34 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 2ayx n GLY 848 N 0.45 0.75 3.25 -0.72 0.00 -0.49 -5.07 105.19 103.36 2ayx n GLY 848 Ca 0.04 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2ayx n GLY 848 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ayx s TYR 849 N -2.00 1.81 0.24 1.61 2.02 -1.19 -4.99 117.35 114.85 2ayx s TYR 849 Ca 0.00 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 2ayx s TYR 849 Cb 0.00 -1.09 -0.10 0.00 -0.40 0.00 0.00 41.96 40.37 2ayx s TYR 849 CO 0.00 0.08 1.43 -0.65 -1.57 0.00 0.00 175.55 174.84 2ayx s GLN 850 N -1.12 4.28 -0.08 -0.62 -1.52 -0.82 -4.27 119.66 115.52 2ayx s GLN 850 Ca 0.07 2.27 0.04 0.00 -1.95 0.00 0.00 55.36 55.79 2ayx s GLN 850 Cb -0.09 -3.12 -0.01 0.00 -0.22 0.00 0.00 33.01 29.57 2ayx s GLN 850 CO 0.02 -0.40 -0.21 0.00 -0.25 0.00 0.00 175.29 174.44 2ayx s LYS 852 N -0.02 3.13 -0.10 0.00 3.01 -0.06 -4.95 119.74 120.76 2ayx s LYS 852 Ca -0.07 -0.80 -0.02 0.00 -1.01 0.00 0.00 55.97 54.07 2ayx s LYS 852 Cb -0.15 -2.51 -0.03 0.00 -1.01 0.00 0.00 37.83 34.13 2ayx s LYS 852 CO 0.05 0.04 0.01 0.95 0.51 0.00 0.00 175.35 176.90 2ayx s THR 853 N 0.72 4.35 0.01 2.17 -4.23 -1.26 -0.61 115.64 116.79 2ayx s THR 853 Ca -0.08 -0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 60.20 2ayx s THR 853 Cb -0.16 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.83 2ayx s THR 853 CO 0.01 0.59 -0.00 0.00 -0.54 0.00 0.00 174.62 174.68 2ayx s ALA 854 N -0.72 0.03 -0.63 3.99 0.00 -0.69 -4.97 121.76 118.77 2ayx s ALA 854 Ca 0.11 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.86 2ayx s ALA 854 Cb -0.12 0.07 0.23 0.00 0.00 0.00 0.00 23.12 23.30 2ayx s ALA 854 CO 0.02 -0.09 0.66 -1.71 0.00 0.00 0.00 175.76 174.65 2ayx n ASN 855 N 2.30 3.25 0.00 0.00 5.15 -1.26 -2.23 115.26 122.47 2ayx n ASN 855 Ca -0.18 -3.32 0.00 0.00 -0.60 0.00 0.00 54.58 50.48 2ayx n ASN 855 Cb 0.57 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 39.14 2ayx n ASN 855 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2ayx n ASP 856 N 1.19 0.00 -0.01 1.20 2.03 -1.26 -4.99 116.55 114.71 2ayx n ASP 856 Ca 0.27 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.45 2ayx n ASP 856 Cb 0.41 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.72 2ayx n ASP 856 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2ayx h GLY 857 N 0.00 0.04 1.89 0.27 0.00 -1.95 -2.93 103.07 100.39 2ayx h GLY 857 Ca 0.00 -0.04 -0.16 0.00 0.00 0.00 0.00 47.33 47.14 2ayx h GLY 857 CO 0.00 0.03 -0.70 -0.24 0.00 0.00 0.00 176.54 175.63 2ayx h VAL 858 N -0.31 1.47 -0.21 4.60 3.04 -1.93 -2.82 116.25 120.08 2ayx h VAL 858 Ca 0.01 -2.31 0.03 0.00 -1.01 0.00 0.00 66.70 63.42 2ayx h VAL 858 Cb 0.37 2.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.88 2ayx h VAL 858 CO 0.00 0.67 0.15 -0.78 -1.01 0.00 0.00 177.57 176.60 2ayx h ASP 859 N 0.07 0.13 -0.23 3.17 3.58 -1.94 -0.18 116.42 121.03 2ayx h ASP 859 Ca -0.01 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.40 2ayx h ASP 859 Cb 1.25 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.25 2ayx h ASP 859 CO 0.10 0.09 0.05 0.00 -2.88 0.00 0.00 179.24 176.60 2ayx h ALA 860 N 1.88 1.50 -0.40 -0.78 0.00 -1.30 -1.86 119.26 118.30 2ayx h ALA 860 Ca 0.09 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2ayx h ALA 860 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2ayx h ALA 860 CO -0.01 0.37 -0.28 -0.07 0.00 0.00 0.00 179.25 179.25 2ayx h LEU 861 N 0.45 0.95 -0.06 0.00 4.07 -1.12 -0.37 115.31 119.22 2ayx h LEU 861 Ca 0.11 -0.43 0.01 0.00 0.08 0.00 0.00 57.88 57.64 2ayx h LEU 861 Cb 0.22 -0.26 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 2ayx h LEU 861 CO 0.00 1.18 0.01 -1.13 -1.08 0.00 0.00 178.44 177.42 2ayx h ASN 862 N 0.72 0.01 0.17 -0.43 -0.73 -1.16 -0.72 115.58 113.44 2ayx h ASN 862 Ca 0.08 0.01 -0.07 0.00 1.87 0.00 0.00 56.30 58.19 2ayx h ASN 862 Cb 0.86 0.01 -0.01 0.00 0.27 0.00 0.00 38.32 39.45 2ayx h ASN 862 CO 0.08 0.02 -0.27 1.62 -0.37 0.00 0.00 177.43 178.50 2ayx h VAL 863 N 0.04 1.24 -0.64 2.57 3.04 -1.31 -2.07 116.25 119.13 2ayx h VAL 863 Ca 0.03 -1.12 -0.04 0.00 -1.01 0.00 0.00 66.70 64.56 2ayx h VAL 863 Cb 0.02 1.47 -0.03 0.00 -2.01 0.00 0.00 31.29 30.74 2ayx h VAL 863 CO -0.04 0.33 0.25 0.25 -1.01 0.00 0.00 177.57 177.35 2ayx h LEU 864 N 0.16 0.89 -0.54 3.16 7.12 -0.54 0.62 115.31 126.18 2ayx h LEU 864 Ca 0.03 -0.18 -0.05 0.00 0.13 0.00 0.00 57.88 57.81 2ayx h LEU 864 Cb 0.57 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 40.46 2ayx h LEU 864 CO 0.04 0.83 -0.21 0.28 -0.13 0.00 0.00 178.44 179.25 2ayx h SER 865 N 0.91 0.00 0.07 1.25 0.02 -0.69 -3.30 113.55 111.80 2ayx h SER 865 Ca 0.21 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.85 2ayx h SER 865 Cb 0.22 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2ayx h SER 865 CO -0.02 0.21 -1.70 0.29 -1.14 0.00 0.00 176.83 174.48 2ayx n LYS 866 N -3.23 0.67 0.00 3.45 5.02 -0.82 -4.97 118.16 118.29 2ayx n LYS 866 Ca 0.02 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2ayx n LYS 866 Cb 0.53 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 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 -3.91 0.00 0.00 4.39 2.85 0.19 -5.10 115.26 113.68 2ayx n ASN 867 Ca -0.33 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.14 2ayx n ASN 867 Cb 0.88 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.90 2ayx n ASN 867 CO 0.00 0.00 0.00 1.41 -2.11 0.00 0.00 177.26 176.56 2ayx n HIS 868 N 0.00 0.00 -0.99 1.20 8.25 -1.26 -4.93 115.22 117.49 2ayx n HIS 868 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2ayx n HIS 868 Cb 0.00 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.24 2ayx n HIS 868 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2ayx n ILE 869 N -1.47 -3.60 -0.13 1.59 5.41 -1.26 -4.88 119.36 115.03 2ayx n ILE 869 Ca 0.00 1.45 -0.27 0.00 1.00 0.00 0.00 62.75 64.93 2ayx n ILE 869 Cb 0.00 -2.17 -0.11 0.00 -0.71 0.00 0.00 39.64 36.65 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 -0.40 1.96 -4.20 4.38 8.00 0.05 -4.96 116.55 121.38 2ayx n ASP 870 Ca 0.00 0.27 -0.30 0.00 0.71 0.00 0.00 54.79 55.46 2ayx n ASP 870 Cb 0.00 -0.77 -0.17 0.00 -0.02 0.00 0.00 41.12 40.16 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2ayx s ILE 871 N -2.49 1.89 -0.10 0.53 -1.09 -1.23 -4.50 121.20 114.21 2ayx s ILE 871 Ca -0.36 -0.93 0.00 0.00 -2.23 0.00 0.00 60.65 57.12 2ayx s ILE 871 Cb 0.12 -1.63 -0.02 0.00 -1.58 0.00 0.00 42.46 39.35 2ayx s ILE 871 CO 0.53 0.52 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.98 2ayx s VAL 872 N 0.25 3.45 0.00 2.92 1.01 -1.10 -1.24 120.40 125.70 2ayx s VAL 872 Ca -0.14 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2ayx s VAL 872 Cb -0.16 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.78 2ayx s VAL 872 CO 0.07 0.56 -0.01 -1.48 0.00 0.00 0.00 175.10 174.24 2ayx s LEU 873 N -0.26 2.04 -0.33 3.92 0.05 -0.76 -0.44 118.68 122.90 2ayx s LEU 873 Ca 0.03 -0.09 0.04 0.00 0.05 0.00 0.00 54.13 54.16 2ayx s LEU 873 Cb -0.13 0.02 0.09 0.00 -2.05 0.00 0.00 46.19 44.12 2ayx s LEU 873 CO 0.03 -0.05 0.02 -0.44 -0.55 0.00 0.00 176.35 175.36 2ayx s SER 874 N -0.25 4.72 -0.52 1.48 0.01 -0.50 -1.62 113.70 117.02 2ayx s SER 874 Ca -0.03 -2.00 -0.22 0.00 1.31 0.00 0.00 55.95 55.01 2ayx s SER 874 Cb -0.02 -1.62 0.04 0.00 0.21 0.00 0.00 66.02 64.64 2ayx s SER 874 CO -0.00 -0.35 0.82 -0.62 0.41 0.00 0.00 173.24 173.50 2ayx s ASP 875 N 0.97 6.31 -0.14 2.44 -1.08 0.36 -1.81 116.67 123.72 2ayx s ASP 875 Ca 0.07 -0.49 0.02 0.00 -0.52 0.00 0.00 52.55 51.63 2ayx s ASP 875 Cb -0.19 -2.38 0.01 0.00 -1.46 0.00 0.00 42.92 38.89 2ayx s ASP 875 CO -0.07 -1.08 -0.21 -0.69 0.52 0.00 0.00 175.17 173.64 2ayx s VAL 876 N 3.44 2.20 -0.18 1.11 1.01 0.11 -2.28 120.40 125.81 2ayx s VAL 876 Ca 0.25 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.36 2ayx s VAL 876 Cb -0.15 -1.89 -0.22 0.00 0.00 0.00 0.00 36.38 34.13 2ayx s VAL 876 CO 0.17 0.54 0.12 -3.20 0.00 0.00 0.00 175.10 172.73 2ayx n ASN 877 N 4.00 1.28 -4.26 3.32 4.05 -1.26 -1.88 115.26 120.51 2ayx n ASN 877 Ca -0.20 0.06 -0.32 0.00 0.45 0.00 0.00 54.58 54.57 2ayx n ASN 877 Cb 0.52 -0.05 -0.17 0.00 1.23 0.00 0.00 39.78 41.31 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 2ayx s MET 878 N -2.53 2.77 0.31 1.20 1.75 -1.26 -4.65 119.30 116.89 2ayx s MET 878 Ca -0.21 -0.89 0.16 0.00 -1.25 0.00 0.00 55.69 53.50 2ayx s MET 878 Cb 0.07 -2.23 0.85 0.00 2.84 0.00 0.00 34.83 36.36 2ayx s MET 878 CO 0.73 0.30 1.41 -2.30 -0.65 0.00 0.00 175.02 174.52 2ayx n PRO 879 N 3.17 0.10 -2.92 4.11 -0.02 -1.26 -4.86 135.00 133.33 2ayx n PRO 879 Ca -0.18 0.59 -0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2ayx n PRO 879 Cb 0.52 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2ayx n PRO 879 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2ayx n ASN 880 N -2.10 -7.34 0.00 2.55 2.85 -1.26 -2.67 115.26 107.29 2ayx n ASN 880 Ca -0.01 -0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 2ayx n ASN 880 Cb 0.21 -4.97 0.00 0.00 1.24 0.00 0.00 39.78 36.26 2ayx n ASN 880 CO 0.00 0.00 0.00 0.80 -2.11 0.00 0.00 177.26 175.95 2ayx n MET 881 N -1.61 0.00 -3.69 1.20 0.00 -1.26 -4.65 117.12 107.11 2ayx n MET 881 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.61 2ayx n MET 881 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.61 2ayx n MET 881 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 2ayx s ASP 882 N 0.00 -0.58 -0.50 6.12 -1.08 -1.19 -5.05 116.67 114.39 2ayx s ASP 882 Ca 0.00 0.99 -0.01 0.00 -0.52 0.00 0.00 52.55 53.01 2ayx s ASP 882 Cb 0.00 0.88 0.39 0.00 -1.46 0.00 0.00 42.92 42.73 2ayx s ASP 882 CO 0.00 -0.20 1.97 0.61 0.52 0.00 0.00 175.17 178.08 2ayx n GLY 883 N 4.17 4.97 0.00 2.66 0.00 -1.09 -3.81 105.19 112.09 2ayx n GLY 883 Ca -0.22 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2ayx n GLY 883 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ayx n TYR 884 N -0.51 0.00 -0.36 1.61 9.36 -1.26 -4.82 117.16 121.19 2ayx n TYR 884 Ca 0.50 0.00 0.08 0.00 3.32 0.00 0.00 57.90 61.79 2ayx n TYR 884 Cb 0.79 0.00 0.25 0.00 -0.63 0.00 0.00 39.34 39.75 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 0.95 -0.19 2.98 1.12 -1.96 0.39 114.38 117.67 2ayx h ARG 885 Ca 0.00 -0.06 -0.10 0.00 -1.11 0.00 0.00 59.98 58.71 2ayx h ARG 885 Cb 0.36 -0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 30.10 2ayx h ARG 885 CO 0.00 0.63 -0.29 1.37 -3.11 0.00 0.00 179.97 178.57 2ayx h LEU 886 N 0.98 0.58 -0.46 3.80 8.10 -1.88 -1.80 115.31 124.63 2ayx h LEU 886 Ca 0.50 -0.52 -0.09 0.00 0.11 0.00 0.00 57.88 57.87 2ayx h LEU 886 Cb 0.51 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 2ayx h LEU 886 CO -0.26 0.99 -0.08 0.71 -4.11 0.00 0.00 178.44 175.68 2ayx h THR 887 N 0.19 1.27 -0.92 0.15 1.35 -1.75 -0.37 112.91 112.82 2ayx h THR 887 Ca 0.02 -1.19 0.04 0.00 -0.55 0.00 0.00 66.41 64.73 2ayx h THR 887 Cb 0.87 1.10 -0.06 0.00 -1.73 0.00 0.00 68.15 68.33 2ayx h THR 887 CO 0.07 0.41 0.59 -0.61 -0.25 0.00 0.00 175.52 175.72 2ayx h GLN 888 N 0.70 1.09 -0.16 4.72 5.75 -0.94 -1.42 115.11 124.85 2ayx h GLN 888 Ca 0.12 -0.07 -0.15 0.00 -0.15 0.00 0.00 58.65 58.40 2ayx h GLN 888 Cb 0.62 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 2ayx h GLN 888 CO 0.04 0.72 -0.53 0.00 -2.65 0.00 0.00 178.83 176.41 2ayx h ARG 889 N 1.12 0.45 -0.49 1.69 2.47 -0.92 -0.67 114.38 118.03 2ayx h ARG 889 Ca 0.38 -0.28 -0.09 0.00 -1.26 0.00 0.00 59.98 58.73 2ayx h ARG 889 Cb 0.06 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 2ayx h ARG 889 CO -0.14 0.87 -0.05 0.97 0.56 0.00 0.00 179.97 182.19 2ayx h ILE 890 N 0.35 1.27 0.00 2.04 2.10 -0.31 -1.35 117.51 121.61 2ayx h ILE 890 Ca 0.01 -1.16 -0.07 0.00 1.08 0.00 0.00 64.86 64.73 2ayx h ILE 890 Cb 1.05 1.02 -0.01 0.00 -1.09 0.00 0.00 36.82 37.79 2ayx h ILE 890 CO 0.09 0.40 -0.31 0.08 -1.08 0.00 0.00 178.15 177.33 2ayx h ARG 891 N 0.76 0.00 -0.59 2.19 0.11 -1.26 -2.75 114.38 112.85 2ayx h ARG 891 Ca 0.13 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.13 2ayx h ARG 891 Cb 0.59 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.64 2ayx h ARG 891 CO 0.04 0.31 0.04 0.37 0.10 0.00 0.00 179.97 180.83 2ayx h GLN 892 N 0.00 0.99 0.00 0.08 4.15 -0.51 -2.47 115.11 117.35 2ayx h GLN 892 Ca -0.00 -0.28 0.00 0.00 0.77 0.00 0.00 58.65 59.14 2ayx h GLN 892 Cb 1.01 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.59 2ayx h GLN 892 CO 0.04 0.95 -0.22 1.28 -1.93 0.00 0.00 178.83 178.95 2ayx n LEU 893 N -4.20 0.37 -0.97 -2.39 7.99 -0.57 -4.98 117.00 112.25 2ayx n LEU 893 Ca 0.03 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.38 2ayx n LEU 893 Cb 0.31 -0.36 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 2ayx n LEU 893 CO 0.43 -0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.91 2ayx n GLY 894 N 1.45 -1.21 3.61 -0.72 0.00 -0.93 -4.97 105.19 102.41 2ayx n GLY 894 Ca 0.06 -0.37 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.26 3.66 0.06 0.99 2.34 -1.06 -4.84 118.68 119.56 2ayx s LEU 895 Ca 0.00 1.18 0.25 0.00 0.06 0.00 0.00 54.13 55.62 2ayx s LEU 895 Cb 0.00 -3.53 0.49 0.00 -0.56 0.00 0.00 46.19 42.59 2ayx s LEU 895 CO 0.00 -1.44 1.42 0.35 -1.06 0.00 0.00 176.35 175.62 2ayx n THR 896 N 6.95 0.19 -4.45 5.48 -2.24 -1.26 -4.88 114.28 114.07 2ayx n THR 896 Ca 0.19 -0.15 -0.25 0.00 -2.27 0.00 0.00 64.05 61.57 2ayx n THR 896 Cb 0.47 -0.02 -0.13 0.00 -2.10 0.00 0.00 70.33 68.54 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 -3.66 2.25 0.33 3.22 2.34 -1.26 -5.12 118.68 116.77 2ayx s LEU 897 Ca 0.09 -0.62 -0.28 0.00 0.06 0.00 0.00 54.13 53.37 2ayx s LEU 897 Cb 0.15 -0.96 -0.09 0.00 -0.56 0.00 0.00 46.19 44.73 2ayx s LEU 897 CO 0.69 0.11 1.17 -2.16 -1.06 0.00 0.00 176.35 175.11 2ayx s PRO 898 N -1.62 4.40 0.04 1.48 0.04 -1.26 -4.92 135.00 133.16 2ayx s PRO 898 Ca 0.08 1.92 0.06 0.00 0.04 0.00 0.00 61.00 63.10 2ayx s PRO 898 Cb -0.10 -3.01 -0.02 0.00 0.04 0.00 0.00 34.50 31.41 2ayx s PRO 898 CO 0.03 -0.04 -0.17 0.54 0.04 0.00 0.00 177.00 177.40 2ayx s VAL 899 N -1.23 1.39 -0.25 -0.36 0.11 -1.10 -2.72 120.40 116.24 2ayx s VAL 899 Ca 0.49 -1.06 -0.06 0.00 -2.93 0.00 0.00 61.98 58.42 2ayx s VAL 899 Cb -0.34 -1.22 -0.01 0.00 -1.53 0.00 0.00 36.38 33.28 2ayx s VAL 899 CO 0.43 0.13 0.03 -0.63 -3.33 0.00 0.00 175.10 171.74 2ayx s ILE 900 N -0.78 3.91 -0.63 7.04 1.01 0.42 -1.57 121.20 130.61 2ayx s ILE 900 Ca 0.05 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 60.13 2ayx s ILE 900 Cb -0.08 -2.85 0.11 0.00 0.01 0.00 0.00 42.46 39.65 2ayx s ILE 900 CO 0.01 0.32 0.73 -0.83 0.00 0.00 0.00 174.94 175.18 2ayx s GLY 901 N 1.55 1.84 -0.53 6.18 0.00 0.02 -1.41 107.32 114.97 2ayx s GLY 901 Ca 0.05 -2.33 -0.16 0.00 0.00 0.00 0.00 44.72 42.28 2ayx s GLY 901 CO 0.01 1.59 0.49 0.54 0.00 0.00 0.00 173.10 175.73 2ayx s VAL 902 N 2.53 5.19 0.48 1.40 0.11 -0.75 -1.92 120.40 127.44 2ayx s VAL 902 Ca 0.13 -1.34 0.08 0.00 -2.93 0.00 0.00 61.98 57.92 2ayx s VAL 902 Cb -0.22 -4.29 0.02 0.00 -1.53 0.00 0.00 36.38 30.35 2ayx s VAL 902 CO 0.04 -0.81 0.50 0.42 -3.33 0.00 0.00 175.10 171.92 2ayx s THR 903 N 1.70 2.37 -0.64 5.04 -4.23 -0.12 -0.71 115.64 119.05 2ayx s THR 903 Ca 0.04 -1.26 -0.28 0.00 -1.18 0.00 0.00 61.69 59.02 2ayx s THR 903 Cb -0.28 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 70.96 2ayx s THR 903 CO 0.04 0.00 1.24 0.00 -0.54 0.00 0.00 174.62 175.36 2ayx s ALA 904 N -2.56 2.89 0.00 3.99 0.00 -0.79 -0.02 121.76 125.28 2ayx s ALA 904 Ca 0.49 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.44 2ayx s ALA 904 Cb -0.04 -4.12 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2ayx s ALA 904 CO 0.29 -2.91 0.00 -1.71 0.00 0.00 0.00 175.76 171.43 2ayx n ASN 905 N 8.86 0.00 -1.01 0.00 5.15 -1.26 -4.84 115.26 122.16 2ayx n ASN 905 Ca 0.07 0.00 0.10 0.00 -0.60 0.00 0.00 54.58 54.15 2ayx n ASN 905 Cb 0.49 0.00 0.26 0.00 -0.53 0.00 0.00 39.78 40.00 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 0.55 2.42 0.00 5.20 0.00 -1.26 -4.97 120.51 122.46 2ayx n ALA 906 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.50 2ayx n ALA 906 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2ayx n ALA 906 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2ayx n LEU 907 N 1.12 0.00 -3.91 0.00 7.94 -1.26 -4.34 117.00 116.54 2ayx n LEU 907 Ca 0.19 0.00 -0.43 0.00 -1.11 0.00 0.00 56.01 54.66 2ayx n LEU 907 Cb 0.48 0.00 0.01 0.00 0.53 0.00 0.00 43.42 44.44 2ayx n LEU 907 CO 0.13 0.00 1.27 0.00 -1.11 0.00 0.00 177.39 177.68 2ayx n ALA 908 N 0.00 5.41 0.27 1.96 0.00 -1.26 -4.79 120.51 122.10 2ayx n ALA 908 Ca 0.00 -4.73 0.11 0.00 0.00 0.00 0.00 53.44 48.82 2ayx n ALA 908 Cb 0.00 -2.36 0.75 0.00 0.00 0.00 0.00 19.45 17.83 2ayx n ALA 908 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ayx h GLU 909 N 5.19 0.00 -0.87 0.00 4.57 -1.96 -0.50 114.58 121.01 2ayx h GLU 909 Ca 0.29 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 2ayx h GLU 909 Cb 0.55 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 2ayx h GLU 909 CO 1.33 0.02 0.53 1.05 -1.18 0.00 0.00 179.01 180.75 2ayx h GLU 910 N 0.00 1.18 -0.10 1.92 9.09 -1.89 -0.31 114.58 124.49 2ayx h GLU 910 Ca -0.00 -0.11 -0.13 0.00 0.05 0.00 0.00 59.36 59.18 2ayx h GLU 910 Cb 0.03 -0.25 -0.01 0.00 -1.65 0.00 0.00 28.75 26.87 2ayx h GLU 910 CO 0.00 0.83 -0.51 -0.22 0.05 0.00 0.00 179.01 179.16 2ayx h LYS 911 N 1.20 0.26 -0.45 1.06 3.64 -1.51 -0.71 116.57 120.06 2ayx h LYS 911 Ca 0.31 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2ayx h LYS 911 Cb -0.05 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 2ayx h LYS 911 CO -0.06 0.71 0.17 1.96 -2.27 0.00 0.00 179.45 179.96 2ayx h GLN 912 N 0.21 0.68 -0.75 1.90 1.08 -1.04 -0.42 115.11 116.77 2ayx h GLN 912 Ca 0.01 -0.13 0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2ayx h GLN 912 Cb 0.97 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 28.26 2ayx h GLN 912 CO 0.08 0.63 0.50 -0.09 -0.95 0.00 0.00 178.83 179.00 2ayx h ARG 913 N 0.58 0.99 -0.23 1.46 1.12 -0.66 -1.80 114.38 115.85 2ayx h ARG 913 Ca 0.15 -0.06 -0.11 0.00 -1.11 0.00 0.00 59.98 58.85 2ayx h ARG 913 Cb 0.22 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 29.94 2ayx h ARG 913 CO -0.01 0.65 -0.33 0.00 -3.11 0.00 0.00 179.97 177.17 2ayx h LEU 915 N 0.41 0.55 0.01 0.00 5.85 -0.67 -3.32 115.31 118.14 2ayx h LEU 915 Ca 0.05 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.35 2ayx h LEU 915 Cb 0.78 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2ayx h LEU 915 CO 0.06 0.84 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.92 2ayx h GLU 916 N 0.25 -0.02 -6.39 1.25 4.22 -1.29 -3.48 114.58 109.13 2ayx h GLU 916 Ca 0.05 0.00 -0.48 0.00 0.08 0.00 0.00 59.36 59.02 2ayx h GLU 916 Cb 0.64 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 2ayx h GLU 916 CO 0.04 0.77 -0.85 0.43 -2.18 0.00 0.00 179.01 177.21 2ayx n SER 917 N -4.70 -1.34 0.00 1.04 7.64 0.11 -4.89 113.62 111.48 2ayx n SER 917 Ca -0.09 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 58.86 2ayx n SER 917 Cb 0.38 -3.39 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 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 -1.78 -0.57 0.00 0.23 0.00 -1.26 -4.99 105.19 96.82 2ayx n GLY 918 Ca -0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.14 0.00 0.00 1.61 0.00 -1.26 -4.49 117.12 112.85 2ayx n MET 919 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2ayx n MET 919 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.56 2ayx n MET 919 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2ayx n ASP 920 N -0.07 0.00 -4.37 7.83 2.03 -0.61 -2.70 116.55 118.66 2ayx n ASP 920 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 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 2.08 -0.01 1.67 0.01 -1.09 -5.04 113.70 111.32 2ayx s SER 921 Ca 0.00 -1.26 -0.07 0.00 1.31 0.00 0.00 55.95 55.93 2ayx s SER 921 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2ayx s SER 921 CO 0.00 -0.51 0.15 0.00 0.41 0.00 0.00 173.24 173.28 2ayx n LEU 923 N 1.80 0.00 -4.68 0.00 -0.00 -0.81 -4.85 117.00 108.47 2ayx n LEU 923 Ca -0.20 -1.99 -0.31 0.00 -0.00 0.00 0.00 56.01 53.50 2ayx n LEU 923 Cb 0.56 1.92 -0.09 0.00 -0.00 0.00 0.00 43.42 45.82 2ayx n LEU 923 CO 0.21 -0.48 -0.33 -0.44 -0.00 0.00 0.00 177.39 176.34 2ayx s SER 924 N -2.52 5.02 0.29 1.45 0.01 -1.26 -0.95 113.70 115.74 2ayx s SER 924 Ca 0.19 -0.11 0.04 0.00 1.31 0.00 0.00 55.95 57.38 2ayx s SER 924 Cb -0.01 -1.23 0.67 0.00 0.21 0.00 0.00 66.02 65.66 2ayx s SER 924 CO 0.14 0.22 1.77 0.50 0.41 0.00 0.00 173.24 176.29 2ayx h LYS 925 N 3.87 0.71 -5.18 12.44 3.64 -0.66 -3.35 116.57 128.05 2ayx h LYS 925 Ca -0.48 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 2ayx h LYS 925 Cb 1.17 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.82 2ayx h LYS 925 CO 0.58 0.47 0.21 -0.35 -2.27 0.00 0.00 179.45 178.09 2ayx n PRO 926 N -4.80 0.27 -4.96 1.90 -0.04 -1.26 -4.88 135.00 121.24 2ayx n PRO 926 Ca 0.21 -1.11 -0.30 0.00 -0.04 0.00 0.00 63.50 62.26 2ayx n PRO 926 Cb 0.52 -3.44 -0.17 0.00 -0.04 0.00 0.00 33.50 30.38 2ayx n PRO 926 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ayx s VAL 927 N 14.00 1.79 0.72 0.52 1.01 -1.26 -5.14 120.40 132.04 2ayx s VAL 927 Ca 0.84 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 2ayx s VAL 927 Cb -0.13 -1.57 0.08 0.00 0.00 0.00 0.00 36.38 34.76 2ayx s VAL 927 CO 0.16 0.50 1.01 0.42 0.00 0.00 0.00 175.10 177.19 2ayx s THR 928 N 0.51 2.27 0.21 3.92 -4.23 -1.26 -4.89 115.64 112.17 2ayx s THR 928 Ca -0.16 -0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 59.91 2ayx s THR 928 Cb -0.17 -2.93 0.16 0.00 1.34 0.00 0.00 72.50 70.90 2ayx s THR 928 CO 0.06 0.00 1.85 0.25 -0.54 0.00 0.00 174.62 176.24 2ayx h LEU 929 N -0.62 0.93 -1.29 4.79 7.12 -2.00 -1.57 115.31 122.67 2ayx h LEU 929 Ca -0.43 -0.07 -0.07 0.00 0.13 0.00 0.00 57.88 57.44 2ayx h LEU 929 Cb 1.30 -0.23 -0.01 0.00 -0.53 0.00 0.00 40.66 41.18 2ayx h LEU 929 CO 0.54 0.72 -0.35 -0.78 -0.13 0.00 0.00 178.44 178.44 2ayx h ASP 930 N 1.06 0.00 0.05 1.25 1.82 -1.98 -1.69 116.42 116.92 2ayx h ASP 930 Ca 0.28 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.91 2ayx h ASP 930 Cb -0.03 0.00 0.00 0.00 0.68 0.00 0.00 39.33 39.98 2ayx h ASP 930 CO -0.05 0.35 -0.03 0.58 -1.61 0.00 0.00 179.24 178.48 2ayx h VAL 931 N 0.00 1.26 -0.59 2.25 2.07 -1.69 0.07 116.25 119.63 2ayx h VAL 931 Ca -0.00 -1.16 -0.05 0.00 0.82 0.00 0.00 66.70 66.31 2ayx h VAL 931 Cb 0.65 2.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 2ayx h VAL 931 CO 0.05 0.29 0.18 -0.29 0.02 0.00 0.00 177.57 177.81 2ayx h ILE 932 N -0.60 1.23 -0.42 4.57 -0.00 -1.32 0.54 117.51 121.52 2ayx h ILE 932 Ca -0.01 -0.79 0.00 0.00 -0.00 0.00 0.00 64.86 64.07 2ayx h ILE 932 Cb 0.52 0.58 -0.02 0.00 -0.00 0.00 0.00 36.82 37.90 2ayx h ILE 932 CO 0.01 0.30 0.27 0.50 -0.00 0.00 0.00 178.15 179.23 2ayx h LYS 933 N 0.87 0.56 -0.15 2.19 3.11 -1.28 -1.59 116.57 120.28 2ayx h LYS 933 Ca 0.20 -0.04 -0.09 0.00 -2.81 0.00 0.00 60.65 57.90 2ayx h LYS 933 Cb 0.26 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.35 2ayx h LYS 933 CO -0.01 0.39 -0.31 1.96 -2.81 0.00 0.00 179.45 178.67 2ayx h GLN 934 N 0.56 0.30 -0.14 1.90 4.20 -0.29 -0.44 115.11 121.20 2ayx h GLN 934 Ca 0.15 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 2ayx h GLN 934 Cb -0.04 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2ayx h GLN 934 CO -0.03 0.58 0.03 1.15 -0.67 0.00 0.00 178.83 179.90 2ayx h THR 935 N 0.26 1.20 -0.15 -0.54 2.02 -0.54 0.79 112.91 115.97 2ayx h THR 935 Ca 0.04 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 2ayx h THR 935 Cb 0.68 1.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2ayx h THR 935 CO 0.05 0.19 0.06 -0.07 0.37 0.00 0.00 175.52 176.12 2ayx h LEU 936 N 0.03 0.20 -0.50 2.58 4.07 -1.10 -2.67 115.31 117.91 2ayx h LEU 936 Ca 0.04 -0.15 0.00 0.00 0.08 0.00 0.00 57.88 57.86 2ayx h LEU 936 Cb 0.26 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.93 2ayx h LEU 936 CO 0.00 0.29 0.31 0.74 -1.08 0.00 0.00 178.44 178.71 2ayx h THR 937 N 0.09 1.15 -0.71 0.22 2.02 -1.03 0.39 112.91 115.03 2ayx h THR 937 Ca 0.05 -0.31 0.03 0.00 0.77 0.00 0.00 66.41 66.95 2ayx h THR 937 Cb 0.15 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 2ayx h THR 937 CO -0.00 0.15 0.45 0.25 0.37 0.00 0.00 175.52 176.73 2ayx h LEU 938 N 0.68 0.73 0.09 2.58 5.85 -0.76 -0.44 115.31 124.03 2ayx h LEU 938 Ca 0.18 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.63 2ayx h LEU 938 Cb -0.04 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 40.85 2ayx h LEU 938 CO -0.04 0.50 -1.22 1.88 -0.34 0.00 0.00 178.44 179.22 2ayx h TYR 939 N 0.87 0.60 -0.49 1.25 -1.99 -1.25 -2.24 116.97 113.72 2ayx h TYR 939 Ca 0.29 -0.42 -0.02 0.00 2.00 0.00 0.00 58.73 60.59 2ayx h TYR 939 Cb 0.03 -0.03 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 2ayx h TYR 939 CO -0.04 1.30 0.24 0.00 -0.00 0.00 0.00 178.16 179.66 2ayx h ALA 940 N 0.54 0.63 -0.12 3.88 0.00 -0.60 -0.60 119.26 122.99 2ayx h ALA 940 Ca -0.14 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 2ayx h ALA 940 Cb 1.93 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 2ayx h ALA 940 CO 0.21 0.19 -0.50 1.05 0.00 0.00 0.00 179.25 180.20 2ayx h GLU 941 N 0.65 0.31 -0.13 0.00 4.11 -1.15 -1.84 114.58 116.53 2ayx h GLU 941 Ca 0.17 -0.18 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2ayx h GLU 941 Cb 0.11 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2ayx h GLU 941 CO -0.02 0.74 0.04 -0.09 0.07 0.00 0.00 179.01 179.75 2ayx h ARG 942 N 0.25 0.21 0.00 1.06 9.65 -0.91 -2.15 114.38 122.48 2ayx h ARG 942 Ca 0.01 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.73 2ayx h ARG 942 Cb 0.97 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.50 2ayx h ARG 942 CO 0.08 0.36 -0.54 -0.39 2.80 0.00 0.00 179.97 182.28 2ayx h VAL 943 N 0.02 1.36 -0.25 0.20 -1.51 -1.12 -2.32 116.25 112.63 2ayx h VAL 943 Ca 0.04 -1.87 -0.01 0.00 -1.23 0.00 0.00 66.70 63.63 2ayx h VAL 943 Cb 0.24 2.02 -0.01 0.00 -2.13 0.00 0.00 31.29 31.41 2ayx h VAL 943 CO -0.00 0.53 0.13 -0.09 -1.23 0.00 0.00 177.57 176.91 2ayx h ARG 944 N 0.00 0.36 0.00 5.19 1.12 -1.09 0.21 114.38 120.17 2ayx h ARG 944 Ca -0.01 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.77 2ayx h ARG 944 Cb 0.97 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.86 2ayx h ARG 944 CO 0.07 0.33 -0.21 1.57 -3.11 0.00 0.00 179.97 178.62 2ayx h LYS 945 N 0.29 0.00 0.01 0.20 2.10 -1.32 -0.09 116.57 117.77 2ayx h LYS 945 Ca 0.09 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.53 2ayx h LYS 945 Cb 0.08 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.40 2ayx h LYS 945 CO -0.01 0.21 -0.92 0.77 -2.00 0.00 0.00 179.45 177.50 2ayx h SER 946 N 0.00 0.26 0.17 7.07 0.02 -1.19 -3.34 113.55 116.53 2ayx h SER 946 Ca -0.00 -0.22 -0.27 0.00 -0.84 0.00 0.00 61.79 60.46 2ayx h SER 946 Cb 1.02 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 63.50 2ayx h SER 946 CO 0.03 1.05 -1.27 -0.09 -1.14 0.00 0.00 176.83 175.40 2ayx h ARG 947 N 0.10 0.36 -4.32 3.45 1.12 -0.77 -3.42 114.38 110.90 2ayx h ARG 947 Ca -0.05 -0.61 -0.74 0.00 -1.11 0.00 0.00 59.98 57.47 2ayx h ARG 947 Cb 1.57 0.23 -0.24 0.00 -0.01 0.00 0.00 29.97 31.52 2ayx h ARG 947 CO 0.14 1.29 -0.35 0.34 -3.11 0.00 0.00 179.97 178.28 2ayx s ASP 948 N -7.19 6.02 0.00 -3.80 2.15 -0.06 -5.10 116.67 108.69 2ayx s ASP 948 Ca -0.15 -1.43 0.00 0.00 0.43 0.00 0.00 52.55 51.41 2ayx s ASP 948 Cb 0.03 -2.14 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 2ayx s ASP 948 CO 0.85 -0.64 0.00 -1.20 -0.17 0.00 0.00 175.17 174.00