#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayx n GLY 697 N 0.00 2.09 0.00 -5.12 0.00 -1.26 -4.93 105.19 95.97 2ayx n GLY 697 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2ayx n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayx n GLY 698 N 0.00 2.68 3.88 -0.02 0.00 -1.26 -5.16 105.19 105.31 2ayx n GLY 698 Ca 0.00 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2ayx n GLY 698 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ayx s SER 699 N 2.00 6.61 -0.57 1.61 0.01 -1.26 -5.00 113.70 117.10 2ayx s SER 699 Ca 0.00 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.08 2ayx s SER 699 Cb 0.00 -2.18 0.48 0.00 0.21 0.00 0.00 66.02 64.52 2ayx s SER 699 CO 0.00 0.03 1.87 0.61 0.41 0.00 0.00 173.24 176.16 2ayx n GLY 700 N 0.24 5.78 3.32 3.44 0.00 -1.26 -4.93 105.19 111.77 2ayx n GLY 700 Ca -0.03 -2.20 -0.14 0.00 0.00 0.00 0.00 46.02 43.66 2ayx n GLY 700 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayx s VAL 701 N -4.57 0.05 0.00 1.61 0.11 -1.26 -5.17 120.40 111.17 2ayx s VAL 701 Ca 0.61 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2ayx s VAL 701 Cb 0.49 -0.84 0.00 0.00 -1.53 0.00 0.00 36.38 34.50 2ayx s VAL 701 CO 0.01 -0.22 0.00 1.21 -3.33 0.00 0.00 175.10 172.77 2ayx n GLU 702 N 0.85 3.38 -2.07 1.54 4.07 -1.26 -4.97 120.64 122.18 2ayx n GLU 702 Ca -0.20 0.00 -0.01 0.00 -0.06 0.00 0.00 57.16 56.89 2ayx n GLU 702 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 2ayx n GLU 702 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2ayx n GLY 703 N 5.00 -0.50 3.67 8.31 0.00 -1.26 -4.95 105.19 115.46 2ayx n GLY 703 Ca 0.00 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2ayx n GLY 703 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayx s LEU 704 N -2.90 4.22 -0.57 0.99 -0.00 -1.26 -4.86 118.68 114.30 2ayx s LEU 704 Ca 0.03 1.78 -0.03 0.00 -0.00 0.00 0.00 54.13 55.91 2ayx s LEU 704 Cb -0.00 -3.54 0.20 0.00 -0.00 0.00 0.00 46.19 42.85 2ayx s LEU 704 CO 0.27 -0.72 2.39 -1.20 -0.00 0.00 0.00 176.35 177.09 2ayx n SER 705 N 6.18 6.91 -2.75 1.48 7.64 -1.26 -4.29 113.62 127.53 2ayx n SER 705 Ca 0.13 -3.43 -0.04 0.00 1.01 0.00 0.00 58.87 56.54 2ayx n SER 705 Cb 0.45 -1.14 0.06 0.00 -1.01 0.00 0.00 64.21 62.58 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 0.21 1.70 3.04 0.23 0.00 -1.23 -4.84 105.19 104.31 2ayx n GLY 706 Ca 0.49 -0.88 -0.17 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 -2.54 0.64 0.12 1.61 -0.14 -1.25 -5.07 119.74 113.11 2ayx s LYS 707 Ca 0.24 -0.50 0.02 0.00 -1.36 0.00 0.00 55.97 54.37 2ayx s LYS 707 Cb 0.39 -0.57 -0.04 0.00 -1.68 0.00 0.00 37.83 35.94 2ayx s LYS 707 CO -0.04 0.14 0.20 1.03 -0.76 0.00 0.00 175.35 175.92 2ayx s ARG 708 N -0.75 3.24 -0.18 1.68 0.52 -1.26 -1.35 118.95 120.84 2ayx s ARG 708 Ca -0.01 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.56 2ayx s ARG 708 Cb -0.06 -2.88 0.05 0.00 0.52 0.00 0.00 34.95 32.58 2ayx s ARG 708 CO 0.00 0.54 -0.01 0.00 0.02 0.00 0.00 175.30 175.86 2ayx s TRP 710 N 1.73 3.29 -0.06 0.00 0.52 -0.47 -0.87 118.94 123.08 2ayx s TRP 710 Ca -0.01 0.65 0.03 0.00 0.02 0.00 0.00 56.10 56.79 2ayx s TRP 710 Cb -0.16 -2.69 0.01 0.00 -1.15 0.00 0.00 33.47 29.47 2ayx s TRP 710 CO -0.07 -0.23 -0.12 -0.48 0.02 0.00 0.00 176.95 176.06 2ayx s LEU 711 N 2.11 1.69 -0.53 2.99 2.34 -0.95 -0.68 118.68 125.65 2ayx s LEU 711 Ca 0.21 -0.29 0.07 0.00 0.06 0.00 0.00 54.13 54.18 2ayx s LEU 711 Cb -0.16 -0.81 0.28 0.00 -0.56 0.00 0.00 46.19 44.94 2ayx s LEU 711 CO 0.09 0.05 0.74 0.00 -1.06 0.00 0.00 176.35 176.17 2ayx n ALA 712 N 3.69 3.55 -3.06 1.48 0.00 0.30 -2.12 120.51 124.34 2ayx n ALA 712 Ca -0.22 -4.25 -0.33 0.00 0.00 0.00 0.00 53.44 48.64 2ayx n ALA 712 Cb 0.52 -0.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 2ayx n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayx s VAL 713 N -2.63 3.09 -0.80 0.00 1.01 -1.26 -2.52 120.40 117.29 2ayx s VAL 713 Ca 0.41 -0.65 0.27 0.00 0.00 0.00 0.00 61.98 62.01 2ayx s VAL 713 Cb 0.21 -2.30 0.24 0.00 0.00 0.00 0.00 36.38 34.53 2ayx s VAL 713 CO -0.07 0.52 1.75 0.54 0.00 0.00 0.00 175.10 177.84 2ayx n ARG 714 N 3.51 0.19 -3.02 2.72 1.74 -1.26 -4.73 116.66 115.81 2ayx n ARG 714 Ca -0.18 0.14 -0.41 0.00 -0.77 0.00 0.00 57.85 56.63 2ayx n ARG 714 Cb 0.53 -1.70 -0.05 0.00 -1.02 0.00 0.00 32.46 30.21 2ayx n ARG 714 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2ayx s ASN 715 N -4.06 6.75 0.21 0.55 -0.87 -1.26 -4.95 114.94 111.32 2ayx s ASN 715 Ca 0.11 0.92 -0.01 0.00 -1.57 0.00 0.00 52.86 52.31 2ayx s ASN 715 Cb 0.14 -2.39 0.17 0.00 -0.02 0.00 0.00 41.25 39.16 2ayx s ASN 715 CO 0.60 -0.36 1.55 0.00 -2.57 0.00 0.00 177.10 176.31 2ayx h ALA 716 N 7.56 0.78 0.39 0.60 0.00 -1.98 0.03 119.26 126.64 2ayx h ALA 716 Ca -0.28 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 2ayx h ALA 716 Cb 1.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2ayx h ALA 716 CO 0.81 0.67 -0.22 0.66 0.00 0.00 0.00 179.25 181.16 2ayx h SER 717 N 0.41 -0.55 -0.05 0.00 4.64 -1.98 0.58 113.55 116.59 2ayx h SER 717 Ca 0.02 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2ayx h SER 717 Cb 1.02 0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2ayx h SER 717 CO 0.09 -0.36 0.03 0.25 -0.87 0.00 0.00 176.83 175.97 2ayx h LEU 718 N -0.58 0.07 0.27 5.97 6.46 -1.81 -1.57 115.31 124.12 2ayx h LEU 718 Ca -0.05 -0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.61 2ayx h LEU 718 Cb 0.47 -0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 2ayx h LEU 718 CO 0.06 0.15 -0.16 0.00 -0.62 0.00 0.00 178.44 177.87 2ayx h GLN 720 N -0.41 0.64 -0.27 0.00 4.15 -0.87 -1.55 115.11 116.80 2ayx h GLN 720 Ca -0.03 -0.17 0.04 0.00 0.77 0.00 0.00 58.65 59.26 2ayx h GLN 720 Cb 0.33 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.91 2ayx h GLN 720 CO 0.03 0.70 0.04 0.35 -1.93 0.00 0.00 178.83 178.02 2ayx h PHE 721 N 0.48 0.06 -0.09 3.99 3.57 -1.25 -0.54 116.94 123.16 2ayx h PHE 721 Ca 0.12 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2ayx h PHE 721 Cb 0.37 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 2ayx h PHE 721 CO 0.03 0.00 -0.04 -0.07 -2.23 0.00 0.00 178.31 176.00 2ayx h LEU 722 N 0.13 0.19 -0.64 0.59 3.38 -1.44 -2.66 115.31 114.87 2ayx h LEU 722 Ca 0.13 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2ayx h LEU 722 Cb 0.14 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2ayx h LEU 722 CO -0.18 0.57 0.32 1.05 0.09 0.00 0.00 178.44 180.28 2ayx h GLU 723 N -0.18 0.91 -0.33 1.13 -0.00 -1.02 -0.13 114.58 114.96 2ayx h GLU 723 Ca 0.02 -0.13 -0.14 0.00 -0.00 0.00 0.00 59.36 59.12 2ayx h GLU 723 Cb 0.49 -0.17 -0.01 0.00 -0.00 0.00 0.00 28.75 29.06 2ayx h GLU 723 CO 0.01 0.71 -0.35 1.15 -0.00 0.00 0.00 179.01 180.54 2ayx h THR 724 N 0.87 1.28 -0.41 -1.06 2.02 -1.17 -0.11 112.91 114.34 2ayx h THR 724 Ca 0.22 -1.50 -0.12 0.00 0.77 0.00 0.00 66.41 65.78 2ayx h THR 724 Cb 0.10 1.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 2ayx h THR 724 CO -0.03 0.49 -0.21 0.28 0.37 0.00 0.00 175.52 176.41 2ayx h SER 725 N 0.61 0.82 0.07 4.18 0.02 -1.08 -2.48 113.55 115.70 2ayx h SER 725 Ca 0.06 -0.30 -0.24 0.00 -0.84 0.00 0.00 61.79 60.48 2ayx h SER 725 Cb 0.88 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 63.20 2ayx h SER 725 CO 0.08 1.01 -0.94 -0.07 -1.14 0.00 0.00 176.83 175.77 2ayx h LEU 726 N 0.71 0.80 0.00 5.07 3.38 -0.87 -3.00 115.31 121.40 2ayx h LEU 726 Ca 0.10 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2ayx h LEU 726 Cb 0.73 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2ayx h LEU 726 CO 0.06 1.40 0.00 0.00 0.09 0.00 0.00 178.44 179.99 2ayx n GLN 727 N -3.85 0.41 -0.16 1.13 6.02 -0.07 -1.49 117.38 119.38 2ayx n GLN 727 Ca -0.09 0.06 -0.09 0.00 -0.01 0.00 0.00 57.00 56.87 2ayx n GLN 727 Cb 0.83 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.59 2ayx n GLN 727 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2ayx h ARG 728 N 0.00 0.70 0.00 -1.09 1.12 -1.29 -3.35 114.38 110.46 2ayx h ARG 728 Ca 0.00 -0.14 0.00 0.00 -1.11 0.00 0.00 59.98 58.73 2ayx h ARG 728 Cb 0.16 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 30.01 2ayx h ARG 728 CO 0.00 0.66 -0.00 0.77 -3.11 0.00 0.00 179.97 178.29 2ayx h SER 729 N 0.59 0.00 0.00 -3.80 0.02 -1.69 -3.48 113.55 105.19 2ayx h SER 729 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2ayx h SER 729 Cb 0.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2ayx h SER 729 CO -0.01 0.06 0.00 0.61 -1.14 0.00 0.00 176.83 176.36 2ayx n GLY 730 N 1.96 0.00 3.51 -3.77 0.00 -1.13 -4.58 105.19 101.17 2ayx n GLY 730 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2ayx n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayx s ILE 731 N 0.00 4.23 -0.05 -0.61 -1.09 -0.56 -3.47 121.20 119.65 2ayx s ILE 731 Ca 0.00 -0.94 -0.30 0.00 -2.23 0.00 0.00 60.65 57.18 2ayx s ILE 731 Cb 0.00 -4.92 -0.06 0.00 -1.58 0.00 0.00 42.46 35.91 2ayx s ILE 731 CO 0.00 -1.74 1.62 0.54 -1.23 0.00 0.00 174.94 174.13 2ayx s VAL 732 N 4.13 3.59 0.18 2.92 0.11 -0.46 -3.53 120.40 127.34 2ayx s VAL 732 Ca 0.39 0.76 -0.11 0.00 -2.93 0.00 0.00 61.98 60.08 2ayx s VAL 732 Cb -0.04 -3.49 -0.07 0.00 -1.53 0.00 0.00 36.38 31.26 2ayx s VAL 732 CO -0.06 -0.06 0.52 0.68 -3.33 0.00 0.00 175.10 172.85 2ayx s VAL 733 N 3.80 4.94 -0.05 2.04 -7.23 -1.26 -0.89 120.40 121.75 2ayx s VAL 733 Ca 0.72 0.57 -0.04 0.00 -1.81 0.00 0.00 61.98 61.41 2ayx s VAL 733 Cb -0.33 -3.66 0.02 0.00 0.56 0.00 0.00 36.38 32.97 2ayx s VAL 733 CO 0.29 0.09 0.13 -0.89 -0.31 0.00 0.00 175.10 174.41 2ayx s THR 734 N -1.63 -0.01 -0.21 5.32 2.01 -0.05 -4.90 115.64 116.18 2ayx s THR 734 Ca 0.42 0.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.16 2ayx s THR 734 Cb -0.13 -0.20 -0.06 0.00 0.01 0.00 0.00 72.50 72.12 2ayx s THR 734 CO 0.20 0.01 2.20 0.41 -0.69 0.00 0.00 174.62 176.76 2ayx n THR 735 N 3.20 0.37 -2.58 -0.82 -1.04 -1.26 -2.23 114.28 109.91 2ayx n THR 735 Ca -0.15 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.05 61.03 2ayx n THR 735 Cb 0.58 -2.48 -0.03 0.00 -1.82 0.00 0.00 70.33 66.58 2ayx n THR 735 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 2ayx s TYR 736 N 7.95 2.48 -0.16 -1.42 5.04 -0.90 -4.68 117.35 125.66 2ayx s TYR 736 Ca 1.01 -0.62 0.15 0.00 -2.44 0.00 0.00 57.07 55.17 2ayx s TYR 736 Cb -0.38 -4.66 -0.24 0.00 0.35 0.00 0.00 41.96 37.03 2ayx s TYR 736 CO 0.37 -1.96 0.21 0.39 -1.34 0.00 0.00 175.55 173.22 2ayx n GLU 737 N 8.92 0.67 0.00 4.97 1.02 -1.26 -4.63 120.64 130.34 2ayx n GLU 737 Ca 0.23 0.09 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 2ayx n GLU 737 Cb 0.50 -1.60 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2ayx n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayx n GLY 738 N 1.74 -1.22 0.00 0.62 0.00 -1.26 -5.18 105.19 99.88 2ayx n GLY 738 Ca -0.30 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 3.50 -3.97 1.61 3.00 -1.26 -5.09 117.38 115.17 2ayx n GLN 739 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.64 2ayx n GLN 739 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 30.24 30.12 2ayx n GLN 739 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2ayx s GLU 740 N 4.41 3.76 -0.13 -1.09 -1.05 -1.26 -5.08 118.70 118.25 2ayx s GLU 740 Ca 0.00 -0.45 -0.29 0.00 -0.15 0.00 0.00 54.97 54.08 2ayx s GLU 740 Cb 0.00 -3.20 -0.01 0.00 -0.44 0.00 0.00 34.13 30.48 2ayx s GLU 740 CO 0.00 0.04 1.09 -1.25 0.95 0.00 0.00 175.26 176.09 2ayx s PRO 741 N 0.97 4.34 0.00 -4.83 0.04 -1.26 -5.05 135.00 129.22 2ayx s PRO 741 Ca 0.03 1.47 0.08 0.00 0.04 0.00 0.00 61.00 62.62 2ayx s PRO 741 Cb -0.14 -3.60 -0.02 0.00 0.04 0.00 0.00 34.50 30.78 2ayx s PRO 741 CO 0.03 -0.47 -0.24 0.99 0.04 0.00 0.00 177.00 177.35 2ayx s THR 742 N 2.54 2.28 -1.86 1.26 2.01 -1.26 -4.92 115.64 115.68 2ayx s THR 742 Ca 0.49 -1.15 0.09 0.00 0.31 0.00 0.00 61.69 61.43 2ayx s THR 742 Cb -0.19 -1.85 0.23 0.00 0.01 0.00 0.00 72.50 70.69 2ayx s THR 742 CO 0.15 0.49 1.02 -0.81 -0.69 0.00 0.00 174.62 174.78 2ayx n PRO 743 N 2.14 0.24 0.00 4.92 -0.04 -1.26 -0.95 135.00 140.04 2ayx n PRO 743 Ca -0.16 0.05 0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2ayx n PRO 743 Cb 0.52 -1.50 -0.07 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 -1.07 1.26 -4.24 0.54 -0.58 -1.26 -2.88 120.64 112.41 2ayx n GLU 744 Ca 0.06 -0.26 -0.28 0.00 -0.42 0.00 0.00 57.16 56.27 2ayx n GLU 744 Cb 0.04 -1.34 -0.09 0.00 -0.57 0.00 0.00 31.44 29.48 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 -2.51 4.47 0.09 1.62 1.01 -0.12 -4.48 116.67 116.74 2ayx s ASP 745 Ca 0.09 -0.46 0.09 0.00 0.71 0.00 0.00 52.55 52.98 2ayx s ASP 745 Cb 0.14 -0.86 -0.04 0.00 1.01 0.00 0.00 42.92 43.18 2ayx s ASP 745 CO 0.65 0.12 -0.20 0.68 0.21 0.00 0.00 175.17 176.64 2ayx s VAL 746 N -1.56 2.71 -0.41 -1.27 -7.23 -1.25 -0.97 120.40 110.41 2ayx s VAL 746 Ca 0.25 -1.42 -0.08 0.00 -1.81 0.00 0.00 61.98 58.92 2ayx s VAL 746 Cb -0.10 -2.19 0.08 0.00 0.56 0.00 0.00 36.38 34.73 2ayx s VAL 746 CO 0.16 0.20 0.24 -0.22 -0.31 0.00 0.00 175.10 175.17 2ayx s LEU 747 N -1.83 5.09 -0.39 1.32 0.20 -0.03 -1.37 118.68 121.68 2ayx s LEU 747 Ca 0.16 -1.55 -0.15 0.00 0.69 0.00 0.00 54.13 53.28 2ayx s LEU 747 Cb -0.10 -1.95 0.01 0.00 -0.43 0.00 0.00 46.19 43.71 2ayx s LEU 747 CO 0.07 -0.52 0.30 -0.63 -0.29 0.00 0.00 176.35 175.28 2ayx s ILE 748 N 1.38 5.24 0.19 6.68 1.01 0.15 -0.40 121.20 135.46 2ayx s ILE 748 Ca 0.03 -0.45 0.09 0.00 0.00 0.00 0.00 60.65 60.32 2ayx s ILE 748 Cb -0.23 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.33 2ayx s ILE 748 CO 0.01 -0.22 -0.19 0.42 0.00 0.00 0.00 174.94 174.96 2ayx s THR 749 N 1.76 1.94 -0.15 2.92 -4.23 -0.12 -0.54 115.64 117.22 2ayx s THR 749 Ca 0.06 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.52 2ayx s THR 749 Cb -0.18 -1.95 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 2ayx s THR 749 CO 0.11 -0.34 -0.04 1.51 -0.54 0.00 0.00 174.62 175.32 2ayx s ASP 750 N -2.84 4.79 0.22 3.99 1.47 -1.05 -0.79 116.67 122.46 2ayx s ASP 750 Ca 0.19 -0.12 0.00 0.00 1.18 0.00 0.00 52.55 53.80 2ayx s ASP 750 Cb -0.05 -1.74 0.00 0.00 -0.34 0.00 0.00 42.92 40.79 2ayx s ASP 750 CO 0.08 0.19 0.00 1.21 0.68 0.00 0.00 175.17 177.32 2ayx n GLU 751 N 3.42 -1.43 -2.22 2.11 4.07 0.11 -4.84 120.64 121.87 2ayx n GLU 751 Ca -0.17 1.12 -0.42 0.00 -0.06 0.00 0.00 57.16 57.63 2ayx n GLU 751 Cb 0.53 -1.46 -0.03 0.00 -0.06 0.00 0.00 31.44 30.42 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 -4.19 3.78 0.16 6.31 1.01 -1.26 -4.73 120.40 121.48 2ayx s VAL 752 Ca 0.00 1.10 0.03 0.00 0.00 0.00 0.00 61.98 63.11 2ayx s VAL 752 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2ayx s VAL 752 CO 0.00 -0.03 0.25 0.68 0.00 0.00 0.00 175.10 176.00 2ayx s VAL 753 N 2.84 5.13 -1.33 2.92 -7.23 -1.26 -4.90 120.40 116.57 2ayx s VAL 753 Ca 0.64 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.88 2ayx s VAL 753 Cb -0.30 -3.64 0.09 0.00 0.56 0.00 0.00 36.38 33.09 2ayx s VAL 753 CO 0.25 -0.10 1.87 -1.20 -0.31 0.00 0.00 175.10 175.61 2ayx n SER 754 N -0.53 4.67 -3.67 4.85 7.64 -1.26 -4.78 113.62 120.54 2ayx n SER 754 Ca -0.07 -2.94 -0.09 0.00 1.01 0.00 0.00 58.87 56.78 2ayx n SER 754 Cb 0.54 -1.64 -0.09 0.00 -1.01 0.00 0.00 64.21 62.01 2ayx n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayx s LYS 755 N 2.80 0.47 -1.15 1.43 2.47 -1.26 -5.07 119.74 119.43 2ayx s LYS 755 Ca 0.47 0.99 -0.13 0.00 -1.56 0.00 0.00 55.97 55.75 2ayx s LYS 755 Cb 0.07 0.15 0.20 0.00 -1.46 0.00 0.00 37.83 36.79 2ayx s LYS 755 CO -0.00 -0.18 1.30 0.15 0.16 0.00 0.00 175.35 176.78 2ayx s LYS 756 N 1.81 4.07 -0.58 4.03 -0.14 -1.26 -4.99 119.74 122.68 2ayx s LYS 756 Ca -0.08 -2.71 -0.27 0.00 -1.36 0.00 0.00 55.97 51.56 2ayx s LYS 756 Cb -0.09 -4.89 -0.03 0.00 -1.68 0.00 0.00 37.83 31.15 2ayx s LYS 756 CO -0.15 -1.60 1.94 -0.46 -0.76 0.00 0.00 175.35 174.32 2ayx s TRP 757 N 0.79 1.58 -0.77 3.18 -0.11 -1.26 -4.84 118.94 117.52 2ayx s TRP 757 Ca 0.38 0.90 -0.02 0.00 1.22 0.00 0.00 56.10 58.57 2ayx s TRP 757 Cb -0.05 -4.01 0.31 0.00 -1.50 0.00 0.00 33.47 28.21 2ayx s TRP 757 CO -0.03 -2.38 2.15 1.04 -4.62 0.00 0.00 176.95 173.10 2ayx n GLN 758 N 9.11 2.68 0.00 5.86 6.02 -1.26 -4.75 117.38 135.04 2ayx n GLN 758 Ca 0.23 -3.29 0.00 0.00 -0.01 0.00 0.00 57.00 53.93 2ayx n GLN 758 Cb 0.52 -2.24 0.00 0.00 1.02 0.00 0.00 30.24 29.54 2ayx n GLN 758 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ayx n GLY 759 N -0.33 1.07 0.07 1.08 0.00 -1.26 -4.52 105.19 101.29 2ayx n GLY 759 Ca 0.54 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 2ayx n GLY 759 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ayx h ARG 760 N 0.00 -0.00 -2.17 1.61 2.43 -0.91 -3.42 114.38 111.92 2ayx h ARG 760 Ca 0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2ayx h ARG 760 Cb 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 29.38 2ayx h ARG 760 CO 0.00 0.95 0.48 0.00 -1.51 0.00 0.00 179.97 179.89 2ayx s ALA 761 N -2.27 -1.83 -0.07 2.80 0.00 -1.22 -4.66 121.76 114.51 2ayx s ALA 761 Ca -0.18 1.11 -0.00 0.00 0.00 0.00 0.00 51.96 52.88 2ayx s ALA 761 Cb -0.03 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.34 2ayx s ALA 761 CO 0.66 -0.61 -0.03 0.54 0.00 0.00 0.00 175.76 176.32 2ayx s VAL 762 N -2.71 0.56 -0.25 0.00 0.11 0.12 -0.85 120.40 117.38 2ayx s VAL 762 Ca 0.03 -0.03 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 2ayx s VAL 762 Cb -0.01 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 2ayx s VAL 762 CO -0.07 0.27 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.24 2ayx s VAL 763 N 1.61 2.95 -0.23 2.04 1.01 0.47 -0.42 120.40 127.84 2ayx s VAL 763 Ca 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 2ayx s VAL 763 Cb -0.13 -2.50 -0.00 0.00 0.00 0.00 0.00 36.38 33.74 2ayx s VAL 763 CO -0.04 0.19 -0.04 -0.89 0.00 0.00 0.00 175.10 174.32 2ayx s THR 764 N 1.34 3.33 -0.76 3.92 2.01 -0.13 -0.95 115.64 124.41 2ayx s THR 764 Ca 0.00 -0.58 -0.24 0.00 0.31 0.00 0.00 61.69 61.19 2ayx s THR 764 Cb -0.17 -2.55 0.06 0.00 0.01 0.00 0.00 72.50 69.85 2ayx s THR 764 CO -0.04 0.38 1.16 -0.36 -0.69 0.00 0.00 174.62 175.07 2ayx s PHE 765 N 1.46 2.54 0.00 4.92 0.40 0.03 -1.55 117.98 125.79 2ayx s PHE 765 Ca 0.05 -0.46 -0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2ayx s PHE 765 Cb -0.15 -4.47 -0.00 0.00 0.51 0.00 0.00 43.02 38.91 2ayx s PHE 765 CO -0.03 -1.84 -0.00 0.00 0.70 0.00 0.00 175.22 174.04 2ayx n ARG 767 N 2.88 1.31 -0.08 0.00 0.00 -1.26 -3.99 116.66 115.51 2ayx n ARG 767 Ca -0.14 0.01 -0.16 0.00 -0.00 0.00 0.00 57.85 57.56 2ayx n ARG 767 Cb 0.59 -1.41 -0.11 0.00 -0.00 0.00 0.00 32.46 31.53 2ayx n ARG 767 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2ayx h ARG 768 N 0.00 0.00 -5.98 2.89 1.12 -2.01 -3.50 114.38 106.90 2ayx h ARG 768 Ca -0.43 0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.39 2ayx h ARG 768 Cb 1.95 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.92 2ayx h ARG 768 CO 0.01 0.91 -1.00 -2.39 -3.11 0.00 0.00 179.97 174.40 2ayx n HIS 769 N -4.55 -1.68 0.00 2.20 1.44 -1.26 -5.00 115.22 106.36 2ayx n HIS 769 Ca -0.17 0.73 0.00 0.00 -2.01 0.00 0.00 57.72 56.26 2ayx n HIS 769 Cb 0.52 -2.14 0.00 0.00 0.12 0.00 0.00 29.99 28.49 2ayx n HIS 769 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2ayx n ILE 770 N 0.86 0.00 -0.04 0.61 5.41 -1.26 -4.70 119.36 120.24 2ayx n ILE 770 Ca -0.00 0.39 0.05 0.00 1.00 0.00 0.00 62.75 64.18 2ayx n ILE 770 Cb 0.38 -1.01 0.11 0.00 -0.71 0.00 0.00 39.64 38.42 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 1.92 2.11 3.42 7.39 0.00 -1.26 -4.90 105.19 113.87 2ayx n GLY 771 Ca 0.00 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.96 4.49 0.03 -0.61 -1.09 -1.26 -5.04 121.20 116.76 2ayx s ILE 772 Ca 0.18 -0.46 -0.00 0.00 -2.23 0.00 0.00 60.65 58.14 2ayx s ILE 772 Cb 0.10 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.70 2ayx s ILE 772 CO 0.14 0.07 0.04 -0.81 -1.23 0.00 0.00 174.94 173.15 2ayx n PRO 773 N 4.96 0.50 0.00 2.79 -0.04 -1.26 -4.92 135.00 137.03 2ayx n PRO 773 Ca -0.14 -0.11 0.00 0.00 -0.04 0.00 0.00 63.50 63.21 2ayx n PRO 773 Cb 0.49 -0.03 0.00 0.00 -0.04 0.00 0.00 33.50 33.92 2ayx n PRO 773 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ayx n LEU 774 N 0.00 0.00 -3.19 1.53 -0.00 -1.26 -3.98 117.00 110.09 2ayx n LEU 774 Ca 0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.83 2ayx n LEU 774 Cb 0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.42 2ayx n LEU 774 CO 0.02 0.00 1.80 -0.62 -0.00 0.00 0.00 177.39 178.59 2ayx n GLU 775 N 0.00 1.15 -0.23 1.47 4.71 0.79 -3.64 120.64 124.89 2ayx n GLU 775 Ca 0.00 -1.14 0.08 0.00 -0.01 0.00 0.00 57.16 56.09 2ayx n GLU 775 Cb 0.00 -2.36 0.14 0.00 -1.01 0.00 0.00 31.44 28.22 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 5.09 1.24 -4.07 3.49 2.85 -1.26 -4.99 118.16 120.50 2ayx n LYS 776 Ca 0.30 -2.62 -0.13 0.00 -1.05 0.00 0.00 58.31 54.81 2ayx n LYS 776 Cb 0.14 -1.44 -0.05 0.00 -0.65 0.00 0.00 35.03 33.04 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 -2.73 0.58 -0.69 0.58 0.00 -1.24 -5.05 121.76 113.21 2ayx s ALA 777 Ca 0.31 -1.39 -0.08 0.00 0.00 0.00 0.00 51.96 50.80 2ayx s ALA 777 Cb 0.28 1.14 -0.07 0.00 0.00 0.00 0.00 23.12 24.48 2ayx s ALA 777 CO 0.01 -0.79 1.85 -0.35 0.00 0.00 0.00 175.76 176.48 2ayx n PRO 778 N -0.51 1.53 0.00 0.00 -0.04 -1.26 -3.78 135.00 130.94 2ayx n PRO 778 Ca 0.00 -1.32 0.00 0.00 -0.04 0.00 0.00 63.50 62.14 2ayx n PRO 778 Cb 0.62 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 2ayx n PRO 778 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ayx n GLY 779 N 3.97 1.30 3.69 0.55 0.00 -1.26 -4.64 105.19 108.81 2ayx n GLY 779 Ca 0.37 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.20 4.41 -0.16 1.61 2.12 -1.25 -0.70 118.70 124.54 2ayx s GLU 780 Ca 0.00 1.42 -0.01 0.00 0.36 0.00 0.00 54.97 56.74 2ayx s GLU 780 Cb 0.00 -3.55 0.04 0.00 0.26 0.00 0.00 34.13 30.88 2ayx s GLU 780 CO 0.00 -0.34 -0.04 -1.58 -0.54 0.00 0.00 175.26 172.76 2ayx s TRP 781 N 2.06 1.54 -0.14 5.30 0.52 0.44 -0.15 118.94 128.52 2ayx s TRP 781 Ca 0.49 -0.96 -0.06 0.00 0.02 0.00 0.00 56.10 55.59 2ayx s TRP 781 Cb -0.19 -1.24 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 2ayx s TRP 781 CO 0.18 -0.58 0.08 0.14 0.02 0.00 0.00 176.95 176.78 2ayx s VAL 782 N 1.69 4.95 -0.17 4.03 -7.23 -1.26 -0.95 120.40 121.46 2ayx s VAL 782 Ca 0.01 0.01 -0.11 0.00 -1.81 0.00 0.00 61.98 60.08 2ayx s VAL 782 Cb -0.15 -3.17 0.05 0.00 0.56 0.00 0.00 36.38 33.68 2ayx s VAL 782 CO -0.08 0.55 0.43 -2.28 -0.31 0.00 0.00 175.10 173.42 2ayx s HIS 783 N -0.44 -0.59 -0.54 2.82 2.46 -0.59 -4.96 115.29 113.44 2ayx s HIS 783 Ca 0.10 1.29 -0.16 0.00 0.47 0.00 0.00 55.06 56.76 2ayx s HIS 783 Cb -0.12 0.25 0.12 0.00 -0.13 0.00 0.00 32.58 32.71 2ayx s HIS 783 CO 0.02 -0.32 0.52 -1.12 -2.47 0.00 0.00 174.74 171.37 2ayx s SER 784 N 1.07 6.19 0.28 9.88 0.01 -1.26 -2.03 113.70 127.84 2ayx s SER 784 Ca -0.07 -1.73 -0.19 0.00 1.31 0.00 0.00 55.95 55.27 2ayx s SER 784 Cb -0.07 -2.22 0.07 0.00 0.21 0.00 0.00 66.02 64.01 2ayx s SER 784 CO -0.09 -0.88 0.93 0.68 0.41 0.00 0.00 173.24 174.29 2ayx s VAL 785 N 1.72 0.00 -0.30 3.43 -7.23 -1.26 -5.01 120.40 111.75 2ayx s VAL 785 Ca 0.04 -0.77 0.09 0.00 -1.81 0.00 0.00 61.98 59.53 2ayx s VAL 785 Cb -0.29 -2.89 0.53 0.00 0.56 0.00 0.00 36.38 34.28 2ayx s VAL 785 CO 0.04 0.00 1.51 0.00 -0.31 0.00 0.00 175.10 176.33 2ayx n ALA 786 N -0.63 4.33 -3.13 1.32 0.00 -1.26 -4.90 120.51 116.25 2ayx n ALA 786 Ca -0.05 -3.05 -0.03 0.00 0.00 0.00 0.00 53.44 50.30 2ayx n ALA 786 Cb 0.60 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 -1.07 -2.56 -1.00 0.00 0.00 -1.26 -4.67 120.51 109.95 2ayx n ALA 787 Ca 0.35 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2ayx n ALA 787 Cb 1.09 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2ayx n ALA 787 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ayx n PRO 788 N -1.78 0.00 0.00 0.00 -0.02 -1.26 -4.83 135.00 127.11 2ayx n PRO 788 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2ayx n PRO 788 Cb 0.52 -0.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.97 2ayx n PRO 788 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2ayx n HIS 789 N 0.00 0.00 -0.11 6.00 1.44 -1.26 -4.76 115.22 116.53 2ayx n HIS 789 Ca 0.00 -0.12 -0.20 0.00 -2.01 0.00 0.00 57.72 55.39 2ayx n HIS 789 Cb 0.00 -0.01 -0.08 0.00 0.12 0.00 0.00 29.99 30.02 2ayx n HIS 789 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2ayx n GLU 790 N -0.12 0.48 0.08 -1.40 0.28 -1.26 -4.20 120.64 114.50 2ayx n GLU 790 Ca 0.00 0.17 -0.13 0.00 -0.16 0.00 0.00 57.16 57.04 2ayx n GLU 790 Cb 0.12 -1.32 -0.08 0.00 1.43 0.00 0.00 31.44 31.60 2ayx n GLU 790 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2ayx h LEU 791 N -0.52 -0.12 -1.85 -1.84 7.12 -1.90 -0.18 115.31 116.02 2ayx h LEU 791 Ca -0.52 -0.12 -0.01 0.00 0.13 0.00 0.00 57.88 57.36 2ayx h LEU 791 Cb 1.56 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 41.71 2ayx h LEU 791 CO -0.25 0.05 -0.01 -0.65 -0.13 0.00 0.00 178.44 177.45 2ayx h PRO 792 N -0.29 0.08 -0.20 5.25 0.11 -1.86 -0.00 132.00 135.09 2ayx h PRO 792 Ca -0.01 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.02 2ayx h PRO 792 Cb 0.24 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 2ayx h PRO 792 CO 0.02 0.10 -0.13 0.00 -0.21 0.00 0.00 178.00 177.78 2ayx h ALA 793 N 1.91 0.28 -0.51 -0.75 0.00 -1.67 -2.29 119.26 116.25 2ayx h ALA 793 Ca 0.02 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 2ayx h ALA 793 Cb 0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2ayx h ALA 793 CO 0.00 0.15 0.11 1.25 0.00 0.00 0.00 179.25 180.76 2ayx h LEU 794 N 0.12 0.73 -0.19 0.00 7.12 -0.17 -0.61 115.31 122.32 2ayx h LEU 794 Ca 0.04 -0.13 -0.01 0.00 0.13 0.00 0.00 57.88 57.91 2ayx h LEU 794 Cb 0.65 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.58 2ayx h LEU 794 CO 0.04 0.73 0.07 -0.07 -0.13 0.00 0.00 178.44 179.07 2ayx h LEU 795 N 0.75 0.26 -1.11 2.25 -0.00 -0.97 0.70 115.31 117.19 2ayx h LEU 795 Ca 0.16 -0.18 -0.08 0.00 -0.00 0.00 0.00 57.88 57.79 2ayx h LEU 795 Cb 0.30 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.88 2ayx h LEU 795 CO 0.00 0.37 -0.19 0.00 -0.00 0.00 0.00 178.44 178.62 2ayx h ALA 796 N 0.90 1.26 -0.22 1.53 0.00 -1.17 -2.30 119.26 119.26 2ayx h ALA 796 Ca 0.06 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 2ayx h ALA 796 Cb 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2ayx h ALA 796 CO -0.00 0.49 -0.53 -0.09 0.00 0.00 0.00 179.25 179.11 2ayx h ARG 797 N 0.36 0.64 -0.06 0.00 2.43 -0.85 -1.68 114.38 115.23 2ayx h ARG 797 Ca 0.06 -0.40 -0.11 0.00 -0.81 0.00 0.00 59.98 58.73 2ayx h ARG 797 Cb 0.55 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 2ayx h ARG 797 CO 0.04 1.01 -0.46 0.82 -1.51 0.00 0.00 179.97 179.87 2ayx h ILE 798 N 0.50 1.33 -0.01 1.20 2.04 -0.56 -1.98 117.51 120.03 2ayx h ILE 798 Ca 0.01 -1.62 0.00 0.00 1.00 0.00 0.00 64.86 64.26 2ayx h ILE 798 Cb 1.09 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.97 2ayx h ILE 798 CO 0.11 0.47 -0.01 -1.22 0.00 0.00 0.00 178.15 177.50 2ayx n TYR 799 N -3.99 0.00 -3.59 1.37 4.01 -0.89 -4.92 117.16 109.15 2ayx n TYR 799 Ca -0.02 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.50 2ayx n TYR 799 Cb 0.50 -0.02 0.07 0.00 -0.31 0.00 0.00 39.34 39.59 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 -0.42 -3.48 -0.06 7.72 4.77 -0.74 -4.88 117.00 119.90 2ayx n LEU 800 Ca 0.21 -0.63 -0.16 0.00 -0.03 0.00 0.00 56.01 55.40 2ayx n LEU 800 Cb 0.25 -2.96 -0.06 0.00 -2.33 0.00 0.00 43.42 38.32 2ayx n LEU 800 CO 0.18 0.51 0.39 0.40 -1.33 0.00 0.00 177.39 177.53 2ayx h ILE 801 N -2.25 1.28 0.00 -0.08 1.08 -1.55 -3.42 117.51 112.57 2ayx h ILE 801 Ca -0.58 -1.79 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 2ayx h ILE 801 Cb 1.36 1.78 0.00 0.00 -3.07 0.00 0.00 36.82 36.89 2ayx h ILE 801 CO 0.55 0.57 0.00 -0.62 -0.69 0.00 0.00 178.15 177.97 2ayx n GLU 802 N -4.03 0.00 0.10 2.37 -0.58 -1.26 -4.63 120.64 112.61 2ayx n GLU 802 Ca -0.06 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.65 2ayx n GLU 802 Cb 0.65 -1.78 0.15 0.00 -0.57 0.00 0.00 31.44 29.89 2ayx n GLU 802 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2ayx h MET 803 N 0.50 0.19 -0.27 3.49 4.05 -1.93 -3.13 114.93 117.83 2ayx h MET 803 Ca 0.00 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 2ayx h MET 803 Cb 0.00 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.81 2ayx h MET 803 CO 0.00 0.70 0.00 0.39 0.23 0.00 0.00 176.91 178.23 2ayx n GLU 804 N -3.89 2.85 -2.69 0.39 4.71 -1.26 -4.82 120.64 115.93 2ayx n GLU 804 Ca -0.02 -2.14 -0.43 0.00 -0.01 0.00 0.00 57.16 54.56 2ayx n GLU 804 Cb 0.59 -1.35 -0.01 0.00 -1.01 0.00 0.00 31.44 29.66 2ayx n GLU 804 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2ayx s SER 805 N -1.23 6.84 -0.43 1.62 0.01 -1.18 -4.82 113.70 114.51 2ayx s SER 805 Ca 0.24 -2.43 -0.07 0.00 1.31 0.00 0.00 55.95 55.00 2ayx s SER 805 Cb 0.15 -2.52 -0.21 0.00 0.21 0.00 0.00 66.02 63.65 2ayx s SER 805 CO 0.12 -1.10 3.41 -0.67 0.41 0.00 0.00 173.24 175.41 2ayx n ASP 806 N 7.67 6.18 -3.69 2.44 2.03 -1.26 -4.64 116.55 125.28 2ayx n ASP 806 Ca 0.42 -2.55 -0.29 0.00 0.52 0.00 0.00 54.79 52.89 2ayx n ASP 806 Cb 0.46 -1.44 -0.13 0.00 -0.72 0.00 0.00 41.12 39.29 2ayx n ASP 806 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ayx s ASP 807 N 1.94 3.62 -0.78 1.67 -1.08 -1.26 -5.01 116.67 115.76 2ayx s ASP 807 Ca 0.67 -2.50 -0.07 0.00 -0.52 0.00 0.00 52.55 50.13 2ayx s ASP 807 Cb 0.29 -0.96 -0.14 0.00 -1.46 0.00 0.00 42.92 40.64 2ayx s ASP 807 CO -0.03 -0.28 3.21 -0.81 0.52 0.00 0.00 175.17 177.78 2ayx n PRO 808 N 3.70 2.91 -3.10 4.34 -0.04 -1.26 -4.57 135.00 136.98 2ayx n PRO 808 Ca 0.08 -1.77 -0.04 0.00 -0.04 0.00 0.00 63.50 61.73 2ayx n PRO 808 Cb 0.35 -2.38 0.02 0.00 -0.04 0.00 0.00 33.50 31.45 2ayx n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayx n ALA 809 N 2.74 -2.49 -0.10 0.55 0.00 -1.26 -4.93 120.51 115.01 2ayx n ALA 809 Ca 0.59 0.04 -0.10 0.00 0.00 0.00 0.00 53.44 53.96 2ayx n ALA 809 Cb 0.57 -2.60 -0.07 0.00 0.00 0.00 0.00 19.45 17.34 2ayx n ALA 809 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2ayx h ASN 810 N 0.06 -1.40 0.00 0.00 2.35 -1.96 -3.44 115.58 111.20 2ayx h ASN 810 Ca -0.16 0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 2ayx h ASN 810 Cb 1.08 0.57 0.00 0.00 0.05 0.00 0.00 38.32 40.02 2ayx h ASN 810 CO 0.33 -0.31 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 2ayx n ALA 811 N -2.99 2.65 -3.47 -0.83 0.00 -1.26 -5.10 120.51 109.52 2ayx n ALA 811 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.07 2ayx n ALA 811 Cb 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 2ayx n ALA 811 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ayx s LEU 812 N -5.65 2.76 0.15 0.00 1.02 -1.26 -4.99 118.68 110.70 2ayx s LEU 812 Ca 0.00 -0.40 -0.16 0.00 0.02 0.00 0.00 54.13 53.58 2ayx s LEU 812 Cb 0.00 -1.67 0.04 0.00 0.02 0.00 0.00 46.19 44.57 2ayx s LEU 812 CO 0.00 0.03 1.77 -0.65 0.02 0.00 0.00 176.35 177.52 2ayx h PRO 813 N 7.71 0.33 0.00 1.29 0.11 -1.99 -3.45 132.00 136.00 2ayx h PRO 813 Ca -0.38 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2ayx h PRO 813 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2ayx h PRO 813 CO 0.60 0.22 0.00 0.43 -0.21 0.00 0.00 178.00 179.04 2ayx n SER 814 N -4.96 0.00 -4.54 -2.05 7.64 -1.26 -4.78 113.62 103.67 2ayx n SER 814 Ca 0.01 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.47 2ayx n SER 814 Cb 0.09 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.27 2ayx n SER 814 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2ayx s THR 815 N 0.00 4.13 0.46 0.44 2.01 -1.26 -4.98 115.64 116.45 2ayx s THR 815 Ca 0.00 -1.10 -0.01 0.00 0.31 0.00 0.00 61.69 60.89 2ayx s THR 815 Cb 0.00 -5.02 -0.01 0.00 0.01 0.00 0.00 72.50 67.49 2ayx s THR 815 CO 0.00 -1.86 0.70 -0.62 -0.69 0.00 0.00 174.62 172.16 2ayx s ASP 816 N 4.57 5.88 -0.08 3.53 2.15 -1.26 -5.06 116.67 126.40 2ayx s ASP 816 Ca 0.44 0.42 -0.00 0.00 0.43 0.00 0.00 52.55 53.84 2ayx s ASP 816 Cb -0.01 -1.67 -0.00 0.00 -0.30 0.00 0.00 42.92 40.94 2ayx s ASP 816 CO -0.08 -0.71 0.02 0.11 -0.17 0.00 0.00 175.17 174.34 2ayx h LYS 817 N 0.33 -0.01 -5.08 4.34 6.56 -2.03 -3.50 116.57 117.17 2ayx h LYS 817 Ca -0.46 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.13 2ayx h LYS 817 Cb 1.25 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.91 2ayx h LYS 817 CO 0.59 -0.01 -0.96 0.00 -2.06 0.00 0.00 179.45 177.00 2ayx n ALA 818 N -2.61 -3.48 -2.81 3.86 0.00 -1.26 -5.01 120.51 109.21 2ayx n ALA 818 Ca -0.00 0.50 -0.36 0.00 0.00 0.00 0.00 53.44 53.58 2ayx n ALA 818 Cb 0.01 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.36 2ayx n ALA 818 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2ayx s VAL 819 N -1.61 5.25 -0.39 0.00 -7.23 -1.26 -5.07 120.40 110.09 2ayx s VAL 819 Ca 0.00 0.12 0.01 0.00 -1.81 0.00 0.00 61.98 60.30 2ayx s VAL 819 Cb -0.00 -3.32 0.12 0.00 0.56 0.00 0.00 36.38 33.74 2ayx s VAL 819 CO 0.77 0.55 0.18 -0.44 -0.31 0.00 0.00 175.10 175.84 2ayx s SER 820 N -0.43 3.79 -1.34 4.85 0.01 -1.26 -5.04 113.70 114.28 2ayx s SER 820 Ca 0.11 -2.24 -0.14 0.00 1.31 0.00 0.00 55.95 54.99 2ayx s SER 820 Cb -0.12 -0.97 0.09 0.00 0.21 0.00 0.00 66.02 65.24 2ayx s SER 820 CO 0.02 -0.33 1.90 -0.67 0.41 0.00 0.00 173.24 174.57 2ayx n ASP 821 N 4.05 4.61 -0.52 2.44 2.03 -1.26 -4.51 116.55 123.39 2ayx n ASP 821 Ca 0.05 -2.93 0.05 0.00 0.52 0.00 0.00 54.79 52.48 2ayx n ASP 821 Cb 0.37 -1.64 0.10 0.00 -0.72 0.00 0.00 41.12 39.23 2ayx n ASP 821 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2ayx n ASN 822 N 6.36 2.42 -4.39 1.67 4.13 -1.26 -4.92 115.26 119.28 2ayx n ASN 822 Ca 0.47 -1.74 -0.43 0.00 1.68 0.00 0.00 54.58 54.56 2ayx n ASN 822 Cb 0.41 -0.12 -0.09 0.00 -1.54 0.00 0.00 39.78 38.44 2ayx n ASN 822 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2ayx s ASP 823 N -0.95 5.98 0.00 6.41 2.15 -1.26 -4.86 116.67 124.14 2ayx s ASP 823 Ca 0.18 -1.17 0.00 0.00 0.43 0.00 0.00 52.55 51.98 2ayx s ASP 823 Cb 0.10 -2.11 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 2ayx s ASP 823 CO 0.14 -0.52 0.00 -0.90 -0.17 0.00 0.00 175.17 173.72 2ayx n ASP 824 N 5.11 2.37 -3.87 -0.34 5.75 -1.26 -5.02 116.55 119.29 2ayx n ASP 824 Ca -0.12 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.37 2ayx n ASP 824 Cb 0.45 0.11 -0.16 0.00 -1.03 0.00 0.00 41.12 40.50 2ayx n ASP 824 CO 0.00 0.00 0.00 -0.32 -0.11 0.00 0.00 177.20 176.77 2ayx s MET 825 N -1.54 1.25 -0.43 0.11 0.00 -1.26 -5.09 119.30 112.34 2ayx s MET 825 Ca 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 55.69 54.50 2ayx s MET 825 Cb 0.00 -2.45 0.03 0.00 0.00 0.00 0.00 34.83 32.41 2ayx s MET 825 CO 0.00 -0.73 0.41 0.00 0.00 0.00 0.00 175.02 174.70 2ayx s MET 826 N 1.46 3.05 -0.11 4.11 0.23 -1.26 -1.71 119.30 125.07 2ayx s MET 826 Ca 0.00 -0.93 -0.03 0.00 -1.03 0.00 0.00 55.69 53.71 2ayx s MET 826 Cb -0.18 -4.01 -0.03 0.00 -1.53 0.00 0.00 34.83 29.08 2ayx s MET 826 CO -0.11 -0.89 -0.01 0.42 -2.03 0.00 0.00 175.02 172.40 2ayx s ILE 827 N 1.99 4.19 -0.23 3.16 -1.09 0.16 -1.66 121.20 127.72 2ayx s ILE 827 Ca 0.09 -0.28 -0.07 0.00 -2.23 0.00 0.00 60.65 58.17 2ayx s ILE 827 Cb -0.19 -2.79 -0.03 0.00 -1.58 0.00 0.00 42.46 37.87 2ayx s ILE 827 CO 0.11 0.56 0.06 -0.22 -1.23 0.00 0.00 174.94 174.22 2ayx s LEU 828 N -0.40 3.47 -0.29 2.97 2.96 -0.38 -0.74 118.68 126.26 2ayx s LEU 828 Ca 0.07 -0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2ayx s LEU 828 Cb -0.12 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 44.70 2ayx s LEU 828 CO 0.02 0.02 0.01 0.68 -1.32 0.00 0.00 176.35 175.76 2ayx s VAL 829 N 1.29 3.18 -0.12 1.68 -7.23 0.17 -0.79 120.40 118.59 2ayx s VAL 829 Ca 0.05 -1.20 0.02 0.00 -1.81 0.00 0.00 61.98 59.04 2ayx s VAL 829 Cb -0.15 -2.76 -0.01 0.00 0.56 0.00 0.00 36.38 34.03 2ayx s VAL 829 CO 0.03 -0.04 -0.19 -0.69 -0.31 0.00 0.00 175.10 173.91 2ayx s VAL 830 N 1.32 2.50 0.01 1.32 1.01 0.07 -1.17 120.40 125.45 2ayx s VAL 830 Ca -0.03 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2ayx s VAL 830 Cb -0.19 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 2ayx s VAL 830 CO -0.01 0.54 -0.08 -0.62 0.00 0.00 0.00 175.10 174.94 2ayx s ASP 831 N 0.42 0.89 0.31 3.32 -1.08 -1.03 -0.62 116.67 118.87 2ayx s ASP 831 Ca -0.14 -0.24 0.24 0.00 -0.52 0.00 0.00 52.55 51.89 2ayx s ASP 831 Cb -0.17 -0.06 1.11 0.00 -1.46 0.00 0.00 42.92 42.34 2ayx s ASP 831 CO 0.06 0.02 1.72 -2.24 0.52 0.00 0.00 175.17 175.26 2ayx h ASP 832 N 5.58 0.00 -3.72 -0.34 2.03 -1.77 -3.35 116.42 114.86 2ayx h ASP 832 Ca -0.31 0.00 -0.67 0.00 -0.73 0.00 0.00 57.03 55.31 2ayx h ASP 832 Cb 1.19 0.00 -0.36 0.00 -0.83 0.00 0.00 39.33 39.32 2ayx h ASP 832 CO 0.48 0.00 -0.70 -1.00 -1.03 0.00 0.00 179.24 176.98 2ayx s HIS 833 N -3.44 3.48 0.37 4.15 3.76 -1.26 -4.93 115.29 117.42 2ayx s HIS 833 Ca 0.01 -2.45 0.07 0.00 -0.15 0.00 0.00 55.06 52.55 2ayx s HIS 833 Cb 0.08 -2.53 0.78 0.00 1.11 0.00 0.00 32.58 32.03 2ayx s HIS 833 CO 0.33 -0.90 1.97 -1.00 -0.85 0.00 0.00 174.74 174.29 2ayx h PRO 834 N 7.83 0.68 -0.58 8.40 0.13 -1.92 -2.49 132.00 144.05 2ayx h PRO 834 Ca -0.14 -0.04 0.01 0.00 -0.87 0.00 0.00 66.00 64.96 2ayx h PRO 834 Cb 1.04 -0.15 -0.03 0.00 0.13 0.00 0.00 31.00 31.99 2ayx h PRO 834 CO 0.54 0.45 0.37 0.97 -0.23 0.00 0.00 178.00 180.10 2ayx h ILE 835 N 0.70 1.12 -0.66 -3.56 -0.00 -1.95 -0.60 117.51 112.56 2ayx h ILE 835 Ca 0.29 -0.26 -0.08 0.00 -0.00 0.00 0.00 64.86 64.81 2ayx h ILE 835 Cb 0.26 0.30 -0.03 0.00 -0.00 0.00 0.00 36.82 37.35 2ayx h ILE 835 CO -0.09 0.14 0.08 -1.13 -0.00 0.00 0.00 178.15 177.15 2ayx h ASN 836 N 0.75 1.07 -0.21 2.19 -1.24 -1.87 -2.44 115.58 113.83 2ayx h ASN 836 Ca 0.22 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.93 2ayx h ASN 836 Cb -0.05 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.70 2ayx h ASN 836 CO -0.06 1.07 0.04 -0.09 -1.29 0.00 0.00 177.43 177.10 2ayx h ARG 837 N 1.03 0.34 0.00 6.67 9.65 -1.22 -2.43 114.38 128.42 2ayx h ARG 837 Ca 0.20 -0.09 -0.06 0.00 -1.10 0.00 0.00 59.98 58.93 2ayx h ARG 837 Cb 0.47 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 2ayx h ARG 837 CO 0.02 0.48 -0.27 0.07 2.80 0.00 0.00 179.97 183.07 2ayx h ARG 838 N 0.15 0.00 0.18 0.20 -0.00 -1.09 -0.05 114.38 113.76 2ayx h ARG 838 Ca 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.04 2ayx h ARG 838 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.27 2ayx h ARG 838 CO 0.00 0.27 -0.09 -0.07 -0.00 0.00 0.00 179.97 180.09 2ayx h LEU 839 N 0.00 -0.20 -0.85 0.08 3.38 -1.08 -0.32 115.31 116.31 2ayx h LEU 839 Ca -0.00 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.65 2ayx h LEU 839 Cb 0.50 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2ayx h LEU 839 CO 0.03 0.13 -0.42 0.17 0.09 0.00 0.00 178.44 178.45 2ayx h LEU 840 N -0.56 0.00 -1.18 1.67 8.10 -1.35 -2.39 115.31 119.60 2ayx h LEU 840 Ca -0.02 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.90 2ayx h LEU 840 Cb 0.42 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.63 2ayx h LEU 840 CO 0.04 0.42 -0.17 0.00 -4.11 0.00 0.00 178.44 174.63 2ayx h ALA 841 N 1.58 1.32 -0.53 0.17 0.00 -0.90 0.43 119.26 121.33 2ayx h ALA 841 Ca -0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2ayx h ALA 841 Cb 0.96 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 2ayx h ALA 841 CO 0.05 0.46 0.22 0.22 0.00 0.00 0.00 179.25 180.20 2ayx h ASP 842 N 0.34 0.72 -0.71 0.00 1.82 -0.54 0.47 116.42 118.52 2ayx h ASP 842 Ca 0.06 -0.17 -0.06 0.00 -0.39 0.00 0.00 57.03 56.47 2ayx h ASP 842 Cb 0.49 -0.19 -0.03 0.00 0.68 0.00 0.00 39.33 40.29 2ayx h ASP 842 CO 0.03 0.69 0.20 1.56 -1.61 0.00 0.00 179.24 180.11 2ayx h GLN 843 N 0.71 1.13 -0.47 0.28 1.08 -1.20 -2.15 115.11 114.50 2ayx h GLN 843 Ca 0.18 -0.26 -0.01 0.00 -1.45 0.00 0.00 58.65 57.11 2ayx h GLN 843 Cb 0.19 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 2ayx h GLN 843 CO -0.02 0.98 0.24 1.25 -0.95 0.00 0.00 178.83 180.34 2ayx h LEU 844 N 1.08 0.57 -0.95 1.46 6.46 -0.52 -1.68 115.31 121.73 2ayx h LEU 844 Ca 0.23 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 2ayx h LEU 844 Cb 0.34 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.09 2ayx h LEU 844 CO -0.00 0.47 0.36 1.23 -0.62 0.00 0.00 178.44 179.88 2ayx h GLY 845 N 0.73 1.19 2.00 3.75 0.00 -0.27 -1.33 103.07 109.15 2ayx h GLY 845 Ca 0.17 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 2ayx h GLY 845 CO -0.03 0.56 -0.17 1.76 0.00 0.00 0.00 176.54 178.67 2ayx h SER 846 N 1.10 0.00 1.74 0.19 0.02 -0.95 -2.75 113.55 112.90 2ayx h SER 846 Ca 0.26 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.19 2ayx h SER 846 Cb 0.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2ayx h SER 846 CO -0.03 0.17 -0.14 -0.07 -1.14 0.00 0.00 176.83 175.62 2ayx h LEU 847 N 0.00 0.00 0.00 5.07 3.38 -0.41 -3.47 115.31 119.88 2ayx h LEU 847 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ayx h LEU 847 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2ayx h LEU 847 CO 0.02 0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.30 2ayx n GLY 848 N 1.00 1.07 3.73 0.83 0.00 -0.80 -5.09 105.19 105.93 2ayx n GLY 848 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 2ayx n GLY 848 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ayx s TYR 849 N -2.00 3.29 -0.11 1.61 2.02 -1.06 -4.96 117.35 116.13 2ayx s TYR 849 Ca 0.00 0.26 -0.29 0.00 -0.37 0.00 0.00 57.07 56.66 2ayx s TYR 849 Cb 0.00 -1.87 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 2ayx s TYR 849 CO 0.00 0.49 1.35 -0.65 -1.57 0.00 0.00 175.55 175.17 2ayx s GLN 850 N -0.73 4.24 -0.18 -0.62 1.11 -0.69 -4.22 119.66 118.57 2ayx s GLN 850 Ca 0.12 1.81 -0.05 0.00 0.01 0.00 0.00 55.36 57.25 2ayx s GLN 850 Cb -0.12 -3.77 -0.03 0.00 -1.01 0.00 0.00 33.01 28.09 2ayx s GLN 850 CO 0.02 -0.70 -0.00 0.00 0.01 0.00 0.00 175.29 174.62 2ayx s LYS 852 N 0.74 2.90 -0.19 0.00 3.01 0.08 -4.97 119.74 121.30 2ayx s LYS 852 Ca -0.00 -1.01 -0.19 0.00 -1.01 0.00 0.00 55.97 53.76 2ayx s LYS 852 Cb -0.14 -3.58 -0.03 0.00 -1.01 0.00 0.00 37.83 33.07 2ayx s LYS 852 CO 0.02 -0.60 0.54 0.99 0.51 0.00 0.00 175.35 176.80 2ayx s THR 853 N 1.52 5.10 0.01 2.17 2.01 -1.26 -0.65 115.64 124.53 2ayx s THR 853 Ca 0.02 1.00 0.04 0.00 0.31 0.00 0.00 61.69 63.06 2ayx s THR 853 Cb -0.19 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 2ayx s THR 853 CO 0.05 0.18 -0.13 0.00 -0.69 0.00 0.00 174.62 174.02 2ayx s ALA 854 N 1.59 1.11 -0.62 7.40 0.00 -0.32 -4.99 121.76 125.94 2ayx s ALA 854 Ca 0.25 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.61 2ayx s ALA 854 Cb -0.15 -0.24 0.21 0.00 0.00 0.00 0.00 23.12 22.94 2ayx s ALA 854 CO 0.10 0.24 0.58 -1.71 0.00 0.00 0.00 175.76 174.98 2ayx n ASN 855 N 2.42 2.66 0.00 0.00 5.15 -1.26 -2.46 115.26 121.77 2ayx n ASN 855 Ca -0.16 -3.17 0.00 0.00 -0.60 0.00 0.00 54.58 50.66 2ayx n ASN 855 Cb 0.55 -0.69 0.00 0.00 -0.53 0.00 0.00 39.78 39.11 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 1.54 0.00 -0.06 1.20 2.03 -1.26 -4.96 116.55 115.04 2ayx n ASP 856 Ca 0.25 0.00 -0.15 0.00 0.52 0.00 0.00 54.79 55.41 2ayx n ASP 856 Cb 0.41 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.77 1.61 0.27 0.00 -1.96 -3.06 103.07 100.71 2ayx h GLY 857 Ca 0.00 -0.95 -0.18 0.00 0.00 0.00 0.00 47.33 46.20 2ayx h GLY 857 CO 0.00 0.85 -0.74 -2.08 0.00 0.00 0.00 176.54 174.57 2ayx h VAL 858 N 0.41 1.39 0.00 4.60 2.07 -1.96 -3.05 116.25 119.70 2ayx h VAL 858 Ca -0.00 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.30 2ayx h VAL 858 Cb 1.11 2.15 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2ayx h VAL 858 CO 0.11 0.65 -0.17 -0.78 0.02 0.00 0.00 177.57 177.41 2ayx h ASP 859 N 0.25 0.00 -0.72 0.57 1.82 -1.93 -1.17 116.42 115.25 2ayx h ASP 859 Ca -0.03 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.58 2ayx h ASP 859 Cb 1.32 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.30 2ayx h ASP 859 CO 0.13 0.17 0.35 0.00 -1.61 0.00 0.00 179.24 178.27 2ayx h ALA 860 N 1.83 1.24 -0.03 -0.78 0.00 -1.42 -0.48 119.26 119.62 2ayx h ALA 860 Ca -0.00 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 2ayx h ALA 860 Cb 0.34 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2ayx h ALA 860 CO 0.02 0.59 -0.75 1.25 0.00 0.00 0.00 179.25 180.35 2ayx h LEU 861 N 1.04 0.28 0.37 0.00 7.12 -1.35 -2.45 115.31 120.33 2ayx h LEU 861 Ca 0.25 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 2ayx h LEU 861 Cb 0.11 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.16 2ayx h LEU 861 CO -0.03 0.93 -0.18 -1.13 -0.13 0.00 0.00 178.44 177.90 2ayx h ASN 862 N 0.15 -0.42 0.10 1.25 -1.24 -0.44 -0.29 115.58 114.68 2ayx h ASN 862 Ca -0.03 -0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.91 2ayx h ASN 862 Cb 1.32 0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.47 2ayx h ASN 862 CO 0.12 -0.28 -0.23 1.62 -1.29 0.00 0.00 177.43 177.37 2ayx h VAL 863 N -0.53 1.23 -0.78 2.57 3.04 -1.18 -1.26 116.25 119.34 2ayx h VAL 863 Ca -0.05 -1.06 -0.04 0.00 -1.01 0.00 0.00 66.70 64.54 2ayx h VAL 863 Cb 0.40 1.38 -0.03 0.00 -2.01 0.00 0.00 31.29 31.03 2ayx h VAL 863 CO 0.08 0.32 0.33 0.25 -1.01 0.00 0.00 177.57 177.55 2ayx h LEU 864 N 0.22 1.06 -0.65 3.16 7.12 -1.18 -1.53 115.31 123.51 2ayx h LEU 864 Ca 0.04 -0.16 -0.11 0.00 0.13 0.00 0.00 57.88 57.78 2ayx h LEU 864 Cb 0.53 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.37 2ayx h LEU 864 CO 0.04 0.93 -0.52 0.28 -0.13 0.00 0.00 178.44 179.04 2ayx h SER 865 N 1.13 0.00 0.30 1.25 0.02 -0.45 -3.29 113.55 112.52 2ayx h SER 865 Ca 0.26 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2ayx h SER 865 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2ayx h SER 865 CO -0.03 0.52 -0.15 0.50 -1.14 0.00 0.00 176.83 176.54 2ayx h LYS 866 N 0.00 -0.39 0.00 3.45 1.63 -0.82 -3.47 116.57 116.96 2ayx h LYS 866 Ca -0.01 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2ayx h LYS 866 Cb 1.12 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 2ayx h LYS 866 CO 0.07 -0.06 0.00 -1.71 -3.45 0.00 0.00 179.45 174.30 2ayx n ASN 867 N -5.08 0.00 0.00 4.20 5.15 -0.62 -5.10 115.26 113.81 2ayx n ASN 867 Ca -0.09 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2ayx n ASN 867 Cb 0.27 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.52 2ayx n ASN 867 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2ayx n HIS 868 N 0.00 0.00 -3.89 1.20 -0.00 -1.24 -4.89 115.22 106.40 2ayx n HIS 868 Ca 0.00 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 58.07 2ayx n HIS 868 Cb 0.00 0.00 -0.11 0.00 -0.12 0.00 0.00 29.99 29.76 2ayx n HIS 868 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2ayx s ILE 869 N -2.00 0.07 -0.25 3.57 1.09 -1.26 -4.84 121.20 117.58 2ayx s ILE 869 Ca 0.00 -0.61 -0.17 0.00 -1.10 0.00 0.00 60.65 58.77 2ayx s ILE 869 Cb 0.00 -0.34 -0.15 0.00 -1.06 0.00 0.00 42.46 40.91 2ayx s ILE 869 CO 0.00 -0.33 -0.12 -0.67 -0.10 0.00 0.00 174.94 173.72 2ayx n ASP 870 N 1.80 1.92 -4.37 3.58 -0.08 -0.66 -4.75 116.55 113.99 2ayx n ASP 870 Ca -0.21 0.37 -0.34 0.00 -1.51 0.00 0.00 54.79 53.10 2ayx n ASP 870 Cb 0.56 -0.88 -0.14 0.00 2.34 0.00 0.00 41.12 43.00 2ayx n ASP 870 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2ayx s ILE 871 N -2.45 3.45 -0.19 5.18 -1.09 -1.25 -3.74 121.20 121.12 2ayx s ILE 871 Ca -0.35 -0.49 -0.04 0.00 -2.23 0.00 0.00 60.65 57.55 2ayx s ILE 871 Cb 0.11 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 38.43 2ayx s ILE 871 CO 0.53 0.45 -0.03 -0.69 -1.23 0.00 0.00 174.94 173.98 2ayx s VAL 872 N 1.03 3.79 -0.42 2.92 1.01 -1.06 -1.25 120.40 126.44 2ayx s VAL 872 Ca 0.00 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 2ayx s VAL 872 Cb -0.15 -2.69 0.11 0.00 0.00 0.00 0.00 36.38 33.65 2ayx s VAL 872 CO 0.00 0.45 0.23 -0.76 0.00 0.00 0.00 175.10 175.02 2ayx s LEU 873 N 0.83 5.27 -0.47 3.92 1.43 0.03 -0.64 118.68 129.07 2ayx s LEU 873 Ca -0.00 -1.94 -0.10 0.00 -1.03 0.00 0.00 54.13 51.06 2ayx s LEU 873 Cb -0.14 -1.87 0.11 0.00 0.03 0.00 0.00 46.19 44.31 2ayx s LEU 873 CO 0.02 -0.56 0.34 -0.44 0.23 0.00 0.00 176.35 175.94 2ayx s SER 874 N 1.99 5.76 -0.50 2.29 0.01 -1.01 -0.75 113.70 121.50 2ayx s SER 874 Ca 0.07 -1.77 -0.20 0.00 1.31 0.00 0.00 55.95 55.36 2ayx s SER 874 Cb -0.23 -2.03 0.05 0.00 0.21 0.00 0.00 66.02 64.01 2ayx s SER 874 CO -0.03 -0.67 0.67 -0.62 0.41 0.00 0.00 173.24 173.00 2ayx s ASP 875 N 2.63 6.26 -0.28 2.44 -1.08 0.21 -0.86 116.67 125.98 2ayx s ASP 875 Ca 0.05 -0.70 -0.01 0.00 -0.52 0.00 0.00 52.55 51.36 2ayx s ASP 875 Cb -0.26 -2.32 0.04 0.00 -1.46 0.00 0.00 42.92 38.93 2ayx s ASP 875 CO 0.01 -0.91 -0.04 0.68 0.52 0.00 0.00 175.17 175.43 2ayx s VAL 876 N 2.85 2.86 -0.00 1.11 -7.23 0.06 -2.24 120.40 117.81 2ayx s VAL 876 Ca 0.19 -1.27 -0.00 0.00 -1.81 0.00 0.00 61.98 59.09 2ayx s VAL 876 Cb -0.17 -2.57 -0.00 0.00 0.56 0.00 0.00 36.38 34.19 2ayx s VAL 876 CO 0.14 0.02 -0.01 -3.20 -0.31 0.00 0.00 175.10 171.75 2ayx n ASN 877 N 4.62 2.16 -0.01 4.85 5.15 -1.26 -2.02 115.26 128.75 2ayx n ASN 877 Ca -0.15 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.71 2ayx n ASN 877 Cb 0.45 -0.01 -0.10 0.00 -0.53 0.00 0.00 39.78 39.59 2ayx n ASN 877 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2ayx h MET 878 N -0.01 -0.01 -5.74 1.20 4.05 -1.92 -3.42 114.93 109.08 2ayx h MET 878 Ca -0.01 0.00 -0.51 0.00 -0.28 0.00 0.00 59.70 58.90 2ayx h MET 878 Cb 1.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.82 2ayx h MET 878 CO -0.00 0.47 1.58 -2.30 0.23 0.00 0.00 176.91 176.89 2ayx n PRO 879 N -4.87 1.35 -0.03 0.39 -0.02 -1.26 -4.72 135.00 125.85 2ayx n PRO 879 Ca -0.08 0.20 -0.07 0.00 -2.02 0.00 0.00 63.50 61.52 2ayx n PRO 879 Cb 0.25 -3.31 -0.02 0.00 -0.02 0.00 0.00 33.50 30.39 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 14.17 0.93 0.02 2.55 5.15 -1.26 -4.49 115.26 132.33 2ayx n ASN 880 Ca 0.35 0.15 0.05 0.00 -0.60 0.00 0.00 54.58 54.53 2ayx n ASN 880 Cb 0.49 -0.34 -0.10 0.00 -0.53 0.00 0.00 39.78 39.30 2ayx n ASN 880 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2ayx n MET 881 N -3.56 0.64 -0.04 1.20 1.56 -1.26 -3.91 117.12 111.74 2ayx n MET 881 Ca -0.13 0.03 0.12 0.00 -0.27 0.00 0.00 57.70 57.45 2ayx n MET 881 Cb 0.45 -1.69 0.47 0.00 2.15 0.00 0.00 33.22 34.60 2ayx n MET 881 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2ayx n ASP 882 N -2.61 1.31 -1.48 6.12 2.03 -1.26 -4.24 116.55 116.42 2ayx n ASP 882 Ca -0.08 -1.58 0.00 0.00 0.52 0.00 0.00 54.79 53.65 2ayx n ASP 882 Cb 0.71 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.05 2ayx n ASP 882 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ayx n GLY 883 N 1.09 2.11 0.17 0.27 0.00 -1.25 -2.78 105.19 104.80 2ayx n GLY 883 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2ayx n GLY 883 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2ayx n TYR 884 N 1.41 0.00 -0.05 1.61 9.36 -1.26 -4.71 117.16 123.53 2ayx n TYR 884 Ca 0.00 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.09 2ayx n TYR 884 Cb 0.42 0.04 -0.07 0.00 -0.63 0.00 0.00 39.34 39.10 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 0.27 -0.42 2.98 2.43 -1.82 -0.24 114.38 117.58 2ayx h ARG 885 Ca 0.00 -0.12 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 2ayx h ARG 885 Cb 0.14 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2ayx h ARG 885 CO 0.00 0.61 0.05 1.37 -1.51 0.00 0.00 179.97 180.49 2ayx h LEU 886 N -0.08 0.69 -0.43 3.80 -0.00 -1.90 0.35 115.31 117.74 2ayx h LEU 886 Ca 0.03 -0.28 -0.02 0.00 -0.00 0.00 0.00 57.88 57.61 2ayx h LEU 886 Cb 0.53 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 2ayx h LEU 886 CO 0.02 0.80 0.20 0.74 -0.00 0.00 0.00 178.44 180.20 2ayx h THR 887 N 0.57 1.18 -0.69 0.15 2.02 -1.83 -1.18 112.91 113.14 2ayx h THR 887 Ca 0.13 -0.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 2ayx h THR 887 Cb 0.41 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2ayx h THR 887 CO 0.01 0.20 0.26 -0.61 0.37 0.00 0.00 175.52 175.75 2ayx h GLN 888 N 0.56 1.04 -0.46 6.66 4.15 -0.92 -2.71 115.11 123.43 2ayx h GLN 888 Ca 0.15 -0.20 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 2ayx h GLN 888 Cb 0.13 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 2ayx h GLN 888 CO -0.02 0.87 -0.10 0.00 -1.93 0.00 0.00 178.83 177.66 2ayx h ARG 889 N 0.98 0.87 -0.34 1.69 2.47 -0.46 0.50 114.38 120.10 2ayx h ARG 889 Ca 0.23 -0.33 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 2ayx h ARG 889 Cb 0.24 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.49 2ayx h ARG 889 CO -0.02 0.97 -0.19 0.82 0.56 0.00 0.00 179.97 182.12 2ayx h ILE 890 N 0.71 1.29 0.00 2.04 2.04 -1.21 -0.67 117.51 121.71 2ayx h ILE 890 Ca 0.12 -1.31 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 2ayx h ILE 890 Cb 0.64 1.40 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 2ayx h ILE 890 CO 0.04 0.43 -0.18 0.08 0.00 0.00 0.00 178.15 178.53 2ayx h ARG 891 N 0.51 0.00 -0.24 2.37 0.11 -1.41 -0.63 114.38 115.10 2ayx h ARG 891 Ca 0.07 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 60.01 2ayx h ARG 891 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 2ayx h ARG 891 CO 0.05 0.18 -0.42 1.96 0.10 0.00 0.00 179.97 181.84 2ayx h GLN 892 N 0.00 0.70 -0.08 0.08 4.20 -0.42 -3.15 115.11 116.44 2ayx h GLN 892 Ca -0.00 -0.44 -0.14 0.00 0.06 0.00 0.00 58.65 58.13 2ayx h GLN 892 Cb 0.58 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 2ayx h GLN 892 CO 0.02 1.06 -0.56 1.25 -0.67 0.00 0.00 178.83 179.94 2ayx h LEU 893 N 0.42 0.28 0.00 1.46 7.12 -0.73 -3.48 115.31 120.37 2ayx h LEU 893 Ca 0.01 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.88 2ayx h LEU 893 Cb 1.02 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.07 2ayx h LEU 893 CO 0.10 0.78 0.00 0.61 -0.13 0.00 0.00 178.44 179.79 2ayx n GLY 894 N 0.17 1.18 3.60 3.75 0.00 -0.28 -5.03 105.19 108.57 2ayx n GLY 894 Ca -0.02 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.93 2ayx n GLY 894 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ayx s LEU 895 N 0.00 3.46 -0.09 0.99 2.96 -1.16 -4.77 118.68 120.08 2ayx s LEU 895 Ca 0.00 1.56 0.13 0.00 -0.22 0.00 0.00 54.13 55.60 2ayx s LEU 895 Cb 0.00 -3.44 0.19 0.00 0.50 0.00 0.00 46.19 43.44 2ayx s LEU 895 CO 0.00 -1.91 1.09 0.41 -1.32 0.00 0.00 176.35 174.63 2ayx n THR 896 N 7.61 1.56 -3.75 3.68 -1.04 -1.26 -4.98 114.28 116.10 2ayx n THR 896 Ca 0.27 -1.81 -0.19 0.00 -2.04 0.00 0.00 64.05 60.28 2ayx n THR 896 Cb 0.46 0.01 -0.17 0.00 -1.82 0.00 0.00 70.33 68.81 2ayx n THR 896 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 2ayx s LEU 897 N -2.22 0.58 0.05 -4.42 2.34 -1.26 -5.02 118.68 108.72 2ayx s LEU 897 Ca 0.21 0.03 -0.31 0.00 0.06 0.00 0.00 54.13 54.13 2ayx s LEU 897 Cb 0.19 -0.18 -0.10 0.00 -0.56 0.00 0.00 46.19 45.54 2ayx s LEU 897 CO 0.02 -0.19 1.93 -2.65 -1.06 0.00 0.00 176.35 174.40 2ayx n PRO 898 N 4.84 2.77 -3.37 1.48 -0.02 -1.25 -4.84 135.00 134.61 2ayx n PRO 898 Ca -0.13 1.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.93 2ayx n PRO 898 Cb 0.50 -2.94 -0.09 0.00 -0.02 0.00 0.00 33.50 30.95 2ayx n PRO 898 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2ayx s VAL 899 N 3.96 5.16 -0.91 -1.45 1.01 -1.08 -2.55 120.40 124.54 2ayx s VAL 899 Ca 0.88 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 62.02 2ayx s VAL 899 Cb -0.48 -4.04 0.08 0.00 0.00 0.00 0.00 36.38 31.94 2ayx s VAL 899 CO 0.42 -0.45 1.25 -0.63 0.00 0.00 0.00 175.10 175.70 2ayx s ILE 900 N 1.91 4.23 -0.19 2.22 1.01 0.19 -1.52 121.20 129.06 2ayx s ILE 900 Ca 0.08 -0.87 -0.26 0.00 0.00 0.00 0.00 60.65 59.61 2ayx s ILE 900 Cb -0.19 -4.90 -0.01 0.00 0.01 0.00 0.00 42.46 37.37 2ayx s ILE 900 CO 0.11 -1.72 0.88 -0.83 0.00 0.00 0.00 174.94 173.38 2ayx s GLY 901 N 4.20 1.99 -0.25 6.18 0.00 -0.22 -2.39 107.32 116.82 2ayx s GLY 901 Ca 0.37 0.05 -0.04 0.00 0.00 0.00 0.00 44.72 45.10 2ayx s GLY 901 CO -0.04 1.81 -0.01 0.54 0.00 0.00 0.00 173.10 175.40 2ayx s VAL 902 N 2.46 3.44 0.07 1.40 0.11 -0.04 -0.90 120.40 126.93 2ayx s VAL 902 Ca 0.39 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.79 2ayx s VAL 902 Cb -0.16 -2.68 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 2ayx s VAL 902 CO 0.11 0.25 0.02 -0.89 -3.33 0.00 0.00 175.10 171.26 2ayx s THR 903 N 1.45 4.19 -0.03 5.04 2.01 -0.43 -0.76 115.64 127.11 2ayx s THR 903 Ca 0.03 -0.84 -0.19 0.00 0.31 0.00 0.00 61.69 61.00 2ayx s THR 903 Cb -0.16 -2.98 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 2ayx s THR 903 CO -0.02 0.18 0.53 0.00 -0.69 0.00 0.00 174.62 174.62 2ayx s ALA 904 N -1.29 3.52 -1.46 7.40 0.00 -0.86 -2.08 121.76 127.00 2ayx s ALA 904 Ca 0.25 -0.08 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 2ayx s ALA 904 Cb -0.12 -2.65 0.06 0.00 0.00 0.00 0.00 23.12 20.41 2ayx s ALA 904 CO 0.18 0.18 0.90 -1.71 0.00 0.00 0.00 175.76 175.30 2ayx n ASN 905 N 2.82 -3.70 -4.41 0.00 2.85 -1.26 -4.91 115.26 106.64 2ayx n ASN 905 Ca -0.08 -0.79 -0.44 0.00 -0.11 0.00 0.00 54.58 53.16 2ayx n ASN 905 Cb 0.51 -3.97 -0.03 0.00 1.24 0.00 0.00 39.78 37.53 2ayx n ASN 905 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayx s ALA 906 N -3.42 3.46 0.17 5.20 0.00 -1.26 -4.91 121.76 121.00 2ayx s ALA 906 Ca 0.45 -2.60 -0.15 0.00 0.00 0.00 0.00 51.96 49.65 2ayx s ALA 906 Cb -0.22 -3.81 0.14 0.00 0.00 0.00 0.00 23.12 19.22 2ayx s ALA 906 CO 0.82 -2.69 1.68 -0.07 0.00 0.00 0.00 175.76 175.50 2ayx h LEU 907 N 10.01 -0.25 -7.06 0.00 -0.00 -1.97 -3.29 115.31 112.75 2ayx h LEU 907 Ca -0.02 0.11 -0.62 0.00 -0.00 0.00 0.00 57.88 57.36 2ayx h LEU 907 Cb 1.05 0.21 -0.40 0.00 -0.00 0.00 0.00 40.66 41.51 2ayx h LEU 907 CO 1.06 -0.08 -0.71 0.00 -0.00 0.00 0.00 178.44 178.71 2ayx s ALA 908 N -6.19 2.54 0.39 1.53 0.00 -1.26 -4.97 121.76 113.80 2ayx s ALA 908 Ca -0.14 -2.86 0.08 0.00 0.00 0.00 0.00 51.96 49.05 2ayx s ALA 908 Cb 0.15 -1.96 0.85 0.00 0.00 0.00 0.00 23.12 22.16 2ayx s ALA 908 CO 0.71 -2.05 1.99 0.93 0.00 0.00 0.00 175.76 177.34 2ayx h GLU 909 N 6.50 0.59 0.61 0.00 5.08 -1.97 -0.26 114.58 125.13 2ayx h GLU 909 Ca 0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2ayx h GLU 909 Cb 0.90 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 2ayx h GLU 909 CO 0.55 0.39 -0.35 1.05 -1.00 0.00 0.00 179.01 179.64 2ayx h GLU 910 N 0.61 -0.87 0.00 2.33 -0.00 -1.93 -0.24 114.58 114.47 2ayx h GLU 910 Ca 0.26 0.06 -0.05 0.00 -0.00 0.00 0.00 59.36 59.63 2ayx h GLU 910 Cb 0.26 0.20 -0.01 0.00 -0.00 0.00 0.00 28.75 29.20 2ayx h GLU 910 CO -0.08 -0.58 -0.22 -0.22 -0.00 0.00 0.00 179.01 177.91 2ayx h LYS 911 N -0.90 0.00 -0.42 1.06 3.64 -1.87 -0.28 116.57 117.80 2ayx h LYS 911 Ca -0.08 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2ayx h LYS 911 Cb 0.72 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.53 2ayx h LYS 911 CO 0.09 0.22 0.18 1.96 -2.27 0.00 0.00 179.45 179.63 2ayx h GLN 912 N 0.00 0.61 -0.52 1.90 1.08 -0.68 -0.43 115.11 117.08 2ayx h GLN 912 Ca -0.00 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.01 2ayx h GLN 912 Cb 0.44 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 2ayx h GLN 912 CO 0.03 0.56 -0.01 -0.09 -0.95 0.00 0.00 178.83 178.36 2ayx h ARG 913 N 0.53 0.88 -0.76 1.46 1.12 -0.36 -2.49 114.38 114.76 2ayx h ARG 913 Ca 0.14 -0.25 0.04 0.00 -1.11 0.00 0.00 59.98 58.79 2ayx h ARG 913 Cb 0.16 -0.09 -0.04 0.00 -0.01 0.00 0.00 29.97 29.99 2ayx h ARG 913 CO -0.01 0.88 0.50 0.00 -3.11 0.00 0.00 179.97 178.23 2ayx h LEU 915 N 0.92 -0.08 0.06 0.00 5.85 -0.66 -3.34 115.31 118.06 2ayx h LEU 915 Ca 0.31 -0.38 -0.21 0.00 0.84 0.00 0.00 57.88 58.43 2ayx h LEU 915 Cb 0.07 0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.14 2ayx h LEU 915 CO -0.09 0.36 -0.87 1.05 -0.34 0.00 0.00 178.44 178.55 2ayx h GLU 916 N -0.54 0.49 -6.11 1.25 -0.00 -1.35 -3.48 114.58 104.84 2ayx h GLU 916 Ca -0.01 -0.60 -0.42 0.00 -0.00 0.00 0.00 59.36 58.33 2ayx h GLU 916 Cb 0.46 0.19 0.06 0.00 -0.00 0.00 0.00 28.75 29.45 2ayx h GLU 916 CO 0.02 1.23 -0.86 0.43 -0.00 0.00 0.00 179.01 179.83 2ayx n SER 917 N -4.04 -2.03 0.00 3.06 7.64 0.41 -4.89 113.62 113.77 2ayx n SER 917 Ca -0.12 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.90 2ayx n SER 917 Cb 0.81 -3.91 0.00 0.00 -1.01 0.00 0.00 64.21 60.10 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 -1.62 0.00 0.00 0.23 0.00 -1.26 -5.06 105.19 97.49 2ayx n GLY 918 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.80 0.00 0.00 1.61 2.81 -1.26 -4.81 117.12 114.66 2ayx n MET 919 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2ayx n MET 919 Cb 0.01 -0.06 0.00 0.00 -0.71 0.00 0.00 33.22 32.46 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 -4.91 7.83 2.03 -0.58 -2.64 116.55 118.29 2ayx n ASP 920 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 2ayx n ASP 920 Cb 0.00 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.39 2ayx n ASP 920 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2ayx s SER 921 N -1.26 5.06 -0.01 1.67 1.04 -0.98 -4.97 113.70 114.25 2ayx s SER 921 Ca 0.00 -0.79 -0.00 0.00 0.48 0.00 0.00 55.95 55.63 2ayx s SER 921 Cb 0.00 -0.36 0.01 0.00 0.10 0.00 0.00 66.02 65.77 2ayx s SER 921 CO 0.00 -0.79 0.02 0.00 0.98 0.00 0.00 173.24 173.45 2ayx s LEU 923 N 0.36 1.88 -0.05 0.00 1.43 -0.08 -4.95 118.68 117.27 2ayx s LEU 923 Ca -0.03 -1.70 -0.02 0.00 -1.03 0.00 0.00 54.13 51.35 2ayx s LEU 923 Cb -0.04 0.14 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 2ayx s LEU 923 CO -0.01 -0.98 0.07 -0.44 0.23 0.00 0.00 176.35 175.23 2ayx s SER 924 N -3.51 5.70 0.28 2.29 0.01 -1.26 -1.31 113.70 115.89 2ayx s SER 924 Ca 0.30 0.21 0.01 0.00 1.31 0.00 0.00 55.95 57.78 2ayx s SER 924 Cb 0.03 -1.67 0.64 0.00 0.21 0.00 0.00 66.02 65.22 2ayx s SER 924 CO 0.19 0.32 1.70 0.11 0.41 0.00 0.00 173.24 175.97 2ayx h LYS 925 N 4.52 0.37 -4.51 12.44 1.57 -1.70 -3.21 116.57 126.05 2ayx h LYS 925 Ca -0.51 -0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 57.68 2ayx h LYS 925 Cb 1.19 -0.08 0.07 0.00 0.08 0.00 0.00 32.23 33.49 2ayx h LYS 925 CO 0.60 0.25 1.96 -0.35 -0.57 0.00 0.00 179.45 181.34 2ayx n PRO 926 N -5.06 1.00 -2.94 3.15 -0.04 -1.26 -4.88 135.00 124.97 2ayx n PRO 926 Ca 0.20 -1.46 -0.43 0.00 -0.04 0.00 0.00 63.50 61.76 2ayx n PRO 926 Cb 0.58 -2.69 -0.05 0.00 -0.04 0.00 0.00 33.50 31.30 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 5.46 4.63 0.76 0.52 1.01 -1.21 -5.05 120.40 126.52 2ayx s VAL 927 Ca 0.56 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.96 2ayx s VAL 927 Cb 0.13 -4.32 0.05 0.00 0.00 0.00 0.00 36.38 32.24 2ayx s VAL 927 CO 0.17 -0.69 1.13 0.42 0.00 0.00 0.00 175.10 176.12 2ayx s THR 928 N 3.33 2.70 0.32 3.92 -4.23 -1.26 -4.87 115.64 115.54 2ayx s THR 928 Ca 0.31 0.20 0.04 0.00 -1.18 0.00 0.00 61.69 61.07 2ayx s THR 928 Cb -0.12 -3.22 0.30 0.00 1.34 0.00 0.00 72.50 70.80 2ayx s THR 928 CO 0.22 -0.29 1.86 0.25 -0.54 0.00 0.00 174.62 176.13 2ayx h LEU 929 N -0.84 0.81 -1.50 4.79 7.12 -2.00 0.72 115.31 124.41 2ayx h LEU 929 Ca -0.45 0.04 -0.03 0.00 0.13 0.00 0.00 57.88 57.57 2ayx h LEU 929 Cb 1.29 -0.12 -0.00 0.00 -0.53 0.00 0.00 40.66 41.30 2ayx h LEU 929 CO 0.65 0.43 -0.15 -0.78 -0.13 0.00 0.00 178.44 178.46 2ayx h ASP 930 N 0.87 0.00 0.12 1.25 1.82 -1.99 -0.77 116.42 117.72 2ayx h ASP 930 Ca 0.47 0.00 -0.26 0.00 -0.39 0.00 0.00 57.03 56.85 2ayx h ASP 930 Cb 0.56 0.00 0.03 0.00 0.68 0.00 0.00 39.33 40.60 2ayx h ASP 930 CO -0.23 0.15 -1.09 0.58 -1.61 0.00 0.00 179.24 177.04 2ayx h VAL 931 N 0.00 1.35 -0.42 2.25 2.07 -1.23 -2.69 116.25 117.58 2ayx h VAL 931 Ca -0.00 -2.44 -0.10 0.00 0.82 0.00 0.00 66.70 64.99 2ayx h VAL 931 Cb 0.55 2.81 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 2ayx h VAL 931 CO 0.02 0.73 -0.13 -0.29 0.02 0.00 0.00 177.57 177.92 2ayx h ILE 932 N 0.08 1.26 -0.09 4.57 2.10 -1.08 -2.10 117.51 122.24 2ayx h ILE 932 Ca -0.17 -1.19 -0.00 0.00 1.08 0.00 0.00 64.86 64.58 2ayx h ILE 932 Cb 1.80 1.07 -0.00 0.00 -1.09 0.00 0.00 36.82 38.60 2ayx h ILE 932 CO 0.21 0.40 0.06 0.50 -1.08 0.00 0.00 178.15 178.24 2ayx h LYS 933 N 0.69 0.12 -0.03 2.19 3.64 -1.17 -1.70 116.57 120.31 2ayx h LYS 933 Ca 0.11 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2ayx h LYS 933 Cb 0.61 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2ayx h LYS 933 CO 0.04 0.12 -0.06 -0.56 -2.27 0.00 0.00 179.45 176.72 2ayx h GLN 934 N 0.09 0.09 -0.38 1.90 3.07 -1.42 -2.59 115.11 115.88 2ayx h GLN 934 Ca 0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 58.65 58.64 2ayx h GLN 934 Cb 0.02 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.58 2ayx h GLN 934 CO -0.01 0.65 -0.04 1.15 0.09 0.00 0.00 178.83 180.68 2ayx h THR 935 N -0.46 1.27 -0.01 1.86 2.02 -1.42 0.13 112.91 116.31 2ayx h THR 935 Ca 0.00 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.11 2ayx h THR 935 Cb 0.65 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.25 2ayx h THR 935 CO 0.01 0.36 -0.00 0.25 0.37 0.00 0.00 175.52 176.51 2ayx h LEU 936 N 0.52 0.01 -0.34 2.58 6.46 -1.42 -1.42 115.31 121.70 2ayx h LEU 936 Ca 0.10 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.54 2ayx h LEU 936 Cb 0.53 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.44 2ayx h LEU 936 CO 0.03 0.32 0.17 0.74 -0.62 0.00 0.00 178.44 179.08 2ayx h THR 937 N -0.30 1.16 -0.19 1.05 2.02 -1.43 0.13 112.91 115.36 2ayx h THR 937 Ca 0.00 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 2ayx h THR 937 Cb 0.31 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2ayx h THR 937 CO 0.00 0.16 0.08 0.25 0.37 0.00 0.00 175.52 176.39 2ayx h LEU 938 N 0.42 0.25 -0.39 2.58 5.85 -0.97 -0.11 115.31 122.94 2ayx h LEU 938 Ca 0.12 -0.14 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 2ayx h LEU 938 Cb 0.11 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2ayx h LEU 938 CO -0.02 0.32 -0.31 1.88 -0.34 0.00 0.00 178.44 179.98 2ayx h TYR 939 N 0.16 1.06 -0.55 1.25 -1.99 -1.17 -0.24 116.97 115.49 2ayx h TYR 939 Ca 0.06 -0.30 -0.09 0.00 2.00 0.00 0.00 58.73 60.40 2ayx h TYR 939 Cb 0.15 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 2ayx h TYR 939 CO -0.02 1.11 -0.02 0.00 -0.00 0.00 0.00 178.16 179.23 2ayx h ALA 940 N 0.79 0.74 -0.14 3.88 0.00 -0.89 -1.79 119.26 121.84 2ayx h ALA 940 Ca 0.07 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2ayx h ALA 940 Cb 0.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2ayx h ALA 940 CO 0.08 0.58 -0.47 1.05 0.00 0.00 0.00 179.25 180.49 2ayx h GLU 941 N 0.85 0.36 -0.44 0.00 -0.00 -0.94 -2.59 114.58 111.81 2ayx h GLU 941 Ca 0.15 -0.19 -0.10 0.00 -0.00 0.00 0.00 59.36 59.22 2ayx h GLU 941 Cb 0.56 0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 29.30 2ayx h GLU 941 CO 0.03 0.75 -0.13 0.07 -0.00 0.00 0.00 179.01 179.73 2ayx h ARG 942 N 0.29 0.82 0.05 1.06 -0.00 -0.69 -1.13 114.38 114.77 2ayx h ARG 942 Ca 0.02 -0.29 -0.23 0.00 -0.00 0.00 0.00 59.98 59.48 2ayx h ARG 942 Cb 0.93 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.97 30.84 2ayx h ARG 942 CO 0.08 0.91 -1.05 -0.39 -0.00 0.00 0.00 179.97 179.52 2ayx h VAL 943 N 0.73 1.51 0.00 0.08 -1.51 -1.26 -2.58 116.25 113.22 2ayx h VAL 943 Ca 0.12 -2.87 -0.02 0.00 -1.23 0.00 0.00 66.70 62.70 2ayx h VAL 943 Cb 0.63 2.70 -0.00 0.00 -2.13 0.00 0.00 31.29 32.49 2ayx h VAL 943 CO 0.04 0.84 -0.11 0.08 -1.23 0.00 0.00 177.57 177.19 2ayx h ARG 944 N 0.10 0.00 0.16 5.19 -0.00 -1.36 -0.26 114.38 118.20 2ayx h ARG 944 Ca -0.08 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.89 2ayx h ARG 944 Cb 1.74 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.71 2ayx h ARG 944 CO 0.17 0.11 -0.07 0.87 -0.00 0.00 0.00 179.97 181.04 2ayx h LYS 945 N 0.00 -0.20 -0.45 0.08 1.79 -1.06 -0.08 116.57 116.65 2ayx h LYS 945 Ca -0.00 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 2ayx h LYS 945 Cb 0.76 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.44 2ayx h LYS 945 CO 0.01 0.14 0.17 0.77 -1.08 0.00 0.00 179.45 179.46 2ayx h SER 946 N -0.57 0.63 0.54 0.86 0.02 -1.24 -3.24 113.55 110.54 2ayx h SER 946 Ca -0.02 -0.18 -0.03 0.00 -0.84 0.00 0.00 61.79 60.72 2ayx h SER 946 Cb 0.44 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 62.82 2ayx h SER 946 CO 0.04 0.64 -0.26 -0.09 -1.14 0.00 0.00 176.83 176.02 2ayx h ARG 947 N 0.58 -0.69 0.00 3.45 2.43 -1.14 -3.46 114.38 115.55 2ayx h ARG 947 Ca 0.15 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2ayx h ARG 947 Cb 0.22 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2ayx h ARG 947 CO -0.01 -0.46 0.00 -3.47 -1.51 0.00 0.00 179.97 174.52 2ayx n ASP 948 N -4.99 0.00 0.00 -3.80 2.03 -0.04 -5.08 116.55 104.67 2ayx n ASP 948 Ca -0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2ayx n ASP 948 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 2ayx n ASP 948 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08