#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayy n GLY 697 N 0.00 2.08 0.00 -5.12 0.00 -1.26 -5.06 105.19 95.83 2ayy n GLY 697 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2ayy n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayy n GLY 698 N 0.00 -0.53 3.43 -0.02 0.00 -1.26 -5.11 105.19 101.70 2ayy n GLY 698 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2ayy n GLY 698 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ayy s SER 699 N -4.00 -1.17 0.10 1.61 0.01 -1.26 -5.16 113.70 103.83 2ayy s SER 699 Ca 0.00 1.26 -0.04 0.00 1.31 0.00 0.00 55.95 58.48 2ayy s SER 699 Cb 0.00 2.19 -0.05 0.00 0.21 0.00 0.00 66.02 68.37 2ayy s SER 699 CO 0.00 -0.24 0.32 -0.83 0.41 0.00 0.00 173.24 172.90 2ayy s GLY 700 N 2.86 2.23 0.14 3.44 0.00 -1.26 -5.10 107.32 109.63 2ayy s GLY 700 Ca 0.05 -0.64 -0.14 0.00 0.00 0.00 0.00 44.72 44.00 2ayy s GLY 700 CO -0.19 -0.55 0.36 0.54 0.00 0.00 0.00 173.10 173.25 2ayy s VAL 701 N -1.56 0.07 0.23 1.40 0.11 -1.26 -5.18 120.40 114.21 2ayy s VAL 701 Ca 0.37 -0.87 0.08 0.00 -2.93 0.00 0.00 61.98 58.64 2ayy s VAL 701 Cb -0.13 -1.39 -0.05 0.00 -1.53 0.00 0.00 36.38 33.28 2ayy s VAL 701 CO 0.24 -0.34 -0.15 -1.61 -3.33 0.00 0.00 175.10 169.92 2ayy s GLU 702 N -3.86 1.43 0.10 1.54 0.41 -1.26 -5.15 118.70 111.91 2ayy s GLU 702 Ca 0.07 -1.65 0.07 0.00 -0.41 0.00 0.00 54.97 53.05 2ayy s GLU 702 Cb 0.02 -1.26 -0.04 0.00 -1.78 0.00 0.00 34.13 31.07 2ayy s GLU 702 CO -0.08 0.20 -0.12 0.20 -0.49 0.00 0.00 175.26 174.97 2ayy s GLY 703 N -3.37 1.76 -0.16 -1.39 0.00 -1.26 -5.13 107.32 97.78 2ayy s GLY 703 Ca 0.25 -1.26 -0.11 0.00 0.00 0.00 0.00 44.72 43.59 2ayy s GLY 703 CO 0.09 -1.24 0.41 1.08 0.00 0.00 0.00 173.10 173.44 2ayy s LEU 704 N -2.15 0.13 0.70 0.66 1.43 -1.26 -5.17 118.68 113.03 2ayy s LEU 704 Ca 0.20 0.86 -0.06 0.00 -1.03 0.00 0.00 54.13 54.10 2ayy s LEU 704 Cb -0.11 1.36 0.06 0.00 0.03 0.00 0.00 46.19 47.53 2ayy s LEU 704 CO 0.12 -0.17 1.01 -0.44 0.23 0.00 0.00 176.35 177.10 2ayy s SER 705 N 0.92 4.81 -0.28 2.29 0.01 -1.26 -5.09 113.70 115.09 2ayy s SER 705 Ca -0.06 0.43 0.01 0.00 1.31 0.00 0.00 55.95 57.65 2ayy s SER 705 Cb -0.06 -1.08 0.16 0.00 0.21 0.00 0.00 66.02 65.25 2ayy s SER 705 CO -0.07 -1.60 0.42 -0.83 0.41 0.00 0.00 173.24 171.57 2ayy s GLY 706 N -4.52 -0.61 0.28 3.44 0.00 -1.26 -5.00 107.32 99.65 2ayy s GLY 706 Ca 0.60 0.46 0.06 0.00 0.00 0.00 0.00 44.72 45.85 2ayy s GLY 706 CO 0.45 3.03 0.32 0.54 0.00 0.00 0.00 173.10 177.44 2ayy s LYS 707 N 2.57 3.09 0.31 2.90 1.02 -1.26 -5.02 119.74 123.35 2ayy s LYS 707 Ca 0.11 -1.00 0.10 0.00 0.02 0.00 0.00 55.97 55.21 2ayy s LYS 707 Cb -0.13 -2.70 -0.05 0.00 -0.52 0.00 0.00 37.83 34.43 2ayy s LYS 707 CO -0.27 0.29 -0.10 1.03 -0.92 0.00 0.00 175.35 175.38 2ayy s ARG 708 N -3.98 1.88 -0.04 1.68 0.52 -1.26 -1.69 118.95 116.06 2ayy s ARG 708 Ca 0.37 -1.76 -0.02 0.00 -0.52 0.00 0.00 55.73 53.80 2ayy s ARG 708 Cb -0.08 -1.84 0.03 0.00 0.52 0.00 0.00 34.95 33.58 2ayy s ARG 708 CO 0.28 0.24 0.05 0.00 0.02 0.00 0.00 175.30 175.89 2ayy s TRP 710 N 2.08 3.17 -0.11 0.00 0.52 -0.96 -0.69 118.94 122.95 2ayy s TRP 710 Ca 0.04 -0.04 0.03 0.00 0.02 0.00 0.00 56.10 56.15 2ayy s TRP 710 Cb -0.12 -2.02 0.01 0.00 -1.15 0.00 0.00 33.47 30.19 2ayy s TRP 710 CO -0.03 0.12 -0.21 -0.51 0.02 0.00 0.00 176.95 176.33 2ayy s LEU 711 N 0.27 2.01 -0.48 2.99 1.43 -0.62 -1.03 118.68 123.24 2ayy s LEU 711 Ca 0.01 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.62 2ayy s LEU 711 Cb -0.13 -1.33 0.42 0.00 0.03 0.00 0.00 46.19 45.18 2ayy s LEU 711 CO 0.01 0.11 1.26 0.00 0.23 0.00 0.00 176.35 177.96 2ayy n ALA 712 N 3.79 5.28 -2.70 4.21 0.00 0.49 -0.80 120.51 130.79 2ayy n ALA 712 Ca -0.20 -4.22 -0.38 0.00 0.00 0.00 0.00 53.44 48.65 2ayy n ALA 712 Cb 0.52 -0.73 -0.07 0.00 0.00 0.00 0.00 19.45 19.18 2ayy n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayy s VAL 713 N -5.35 5.20 -0.84 0.00 1.01 -1.24 -2.25 120.40 116.94 2ayy s VAL 713 Ca 0.49 0.82 0.25 0.00 0.00 0.00 0.00 61.98 63.55 2ayy s VAL 713 Cb 0.41 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 33.09 2ayy s VAL 713 CO -0.19 0.30 1.46 0.54 0.00 0.00 0.00 175.10 177.21 2ayy n ARG 714 N 3.97 0.13 -2.73 2.72 5.12 -1.26 -4.60 116.66 120.00 2ayy n ARG 714 Ca -0.08 0.04 -0.42 0.00 -1.93 0.00 0.00 57.85 55.46 2ayy n ARG 714 Cb 0.51 -1.59 -0.03 0.00 -1.16 0.00 0.00 32.46 30.19 2ayy n ARG 714 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2ayy s ASN 715 N -3.57 6.39 0.29 0.55 3.84 -1.26 -4.89 114.94 116.30 2ayy s ASN 715 Ca 0.09 -1.32 -0.02 0.00 0.21 0.00 0.00 52.86 51.82 2ayy s ASN 715 Cb 0.16 -2.48 0.44 0.00 -0.55 0.00 0.00 41.25 38.81 2ayy s ASN 715 CO 0.68 -1.43 1.94 0.00 -2.79 0.00 0.00 177.10 175.51 2ayy h ALA 716 N 9.51 1.42 -0.38 1.71 0.00 -1.99 0.13 119.26 129.66 2ayy h ALA 716 Ca -0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ayy h ALA 716 Cb 1.04 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2ayy h ALA 716 CO 1.25 0.50 0.16 0.77 0.00 0.00 0.00 179.25 181.94 2ayy h SER 717 N 1.14 0.52 -0.04 0.00 0.02 -1.98 -0.38 113.55 112.82 2ayy h SER 717 Ca 0.35 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2ayy h SER 717 Cb -0.02 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2ayy h SER 717 CO -0.10 0.53 -0.02 0.25 -1.14 0.00 0.00 176.83 176.35 2ayy h LEU 718 N 0.48 0.09 -0.78 5.07 6.46 -1.79 -2.76 115.31 122.07 2ayy h LEU 718 Ca 0.13 -0.42 -0.09 0.00 -0.12 0.00 0.00 57.88 57.38 2ayy h LEU 718 Cb 0.16 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.05 2ayy h LEU 718 CO -0.01 0.48 -0.08 0.00 -0.62 0.00 0.00 178.44 178.21 2ayy h GLN 720 N 0.76 0.18 0.22 0.00 7.50 -1.12 -1.08 115.11 121.57 2ayy h GLN 720 Ca 0.13 -0.08 -0.01 0.00 0.50 0.00 0.00 58.65 59.19 2ayy h GLN 720 Cb 0.58 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.10 2ayy h GLN 720 CO 0.04 0.54 -0.11 0.35 -1.50 0.00 0.00 178.83 178.15 2ayy h PHE 721 N -0.19 -0.28 -0.70 2.96 3.57 -1.39 -2.46 116.94 118.46 2ayy h PHE 721 Ca 0.02 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.55 2ayy h PHE 721 Cb 0.49 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.27 2ayy h PHE 721 CO 0.07 -0.16 0.43 1.25 -2.23 0.00 0.00 178.31 177.66 2ayy h LEU 722 N -0.32 0.68 -1.09 0.59 7.12 -1.31 -1.92 115.31 119.06 2ayy h LEU 722 Ca -0.03 0.01 0.02 0.00 0.13 0.00 0.00 57.88 58.01 2ayy h LEU 722 Cb 0.24 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 40.19 2ayy h LEU 722 CO 0.05 0.46 0.62 1.05 -0.13 0.00 0.00 178.44 180.49 2ayy h GLU 723 N 0.81 1.21 -0.22 1.25 4.11 -0.99 -1.73 114.58 119.02 2ayy h GLU 723 Ca 0.30 -0.07 -0.07 0.00 0.07 0.00 0.00 59.36 59.59 2ayy h GLU 723 Cb 0.09 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2ayy h GLU 723 CO -0.14 0.80 -0.12 1.15 0.07 0.00 0.00 179.01 180.78 2ayy h THR 724 N 1.25 1.31 -0.58 -1.06 2.02 -0.91 -1.50 112.91 113.42 2ayy h THR 724 Ca 0.35 -1.20 0.02 0.00 0.77 0.00 0.00 66.41 66.36 2ayy h THR 724 Cb -0.11 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 67.88 2ayy h THR 724 CO -0.08 0.37 0.36 0.28 0.37 0.00 0.00 175.52 176.81 2ayy h SER 725 N 0.18 0.59 1.23 4.18 0.02 -0.92 -2.82 113.55 116.00 2ayy h SER 725 Ca 0.05 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.84 2ayy h SER 725 Cb 0.62 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2ayy h SER 725 CO 0.03 0.41 -0.77 0.17 -1.14 0.00 0.00 176.83 175.53 2ayy h LEU 726 N 0.71 0.00 -1.88 5.07 8.10 -1.33 -3.25 115.31 122.74 2ayy h LEU 726 Ca 0.23 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.20 2ayy h LEU 726 Cb 0.01 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.23 2ayy h LEU 726 CO -0.09 0.77 -0.11 1.56 -4.11 0.00 0.00 178.44 176.45 2ayy h GLN 727 N 0.00 0.00 -0.01 0.17 4.20 -1.01 -1.67 115.11 116.79 2ayy h GLN 727 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2ayy h GLN 727 Cb 1.59 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.37 2ayy h GLN 727 CO 0.10 0.11 0.03 0.00 -0.67 0.00 0.00 178.83 178.40 2ayy h ARG 728 N 0.00 0.00 0.00 1.46 3.08 -1.57 -0.40 114.38 116.94 2ayy h ARG 728 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ayy h ARG 728 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2ayy h ARG 728 CO 0.01 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.36 2ayy n SER 729 N -3.36 0.74 0.00 7.04 2.88 -0.63 -4.86 113.62 115.44 2ayy n SER 729 Ca -0.03 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.15 2ayy n SER 729 Cb 0.11 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 2ayy n SER 729 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ayy n GLY 730 N 0.46 1.78 3.56 0.46 0.00 -0.16 -5.11 105.19 106.18 2ayy n GLY 730 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2ayy n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 731 N -2.00 3.40 -0.24 -0.61 1.01 -1.21 -4.44 121.20 117.11 2ayy s ILE 731 Ca 0.00 -0.90 -0.10 0.00 0.00 0.00 0.00 60.65 59.64 2ayy s ILE 731 Cb 0.00 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 2ayy s ILE 731 CO 0.00 0.37 0.16 0.54 0.00 0.00 0.00 174.94 176.00 2ayy s VAL 732 N -0.98 5.29 0.28 2.92 0.11 -0.68 -4.52 120.40 122.81 2ayy s VAL 732 Ca 0.17 0.16 -0.08 0.00 -2.93 0.00 0.00 61.98 59.30 2ayy s VAL 732 Cb -0.11 -3.47 -0.06 0.00 -1.53 0.00 0.00 36.38 31.21 2ayy s VAL 732 CO 0.07 0.34 0.58 0.68 -3.33 0.00 0.00 175.10 173.44 2ayy s VAL 733 N 1.14 4.95 -0.16 2.04 -7.23 -1.26 -1.24 120.40 118.64 2ayy s VAL 733 Ca 0.07 0.31 -0.14 0.00 -1.81 0.00 0.00 61.98 60.41 2ayy s VAL 733 Cb -0.14 -3.68 0.04 0.00 0.56 0.00 0.00 36.38 33.17 2ayy s VAL 733 CO 0.05 -0.23 0.43 -0.89 -0.31 0.00 0.00 175.10 174.15 2ayy s THR 734 N -2.00 -0.00 0.06 5.32 2.01 0.13 -4.88 115.64 116.28 2ayy s THR 734 Ca 0.46 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.17 2ayy s THR 734 Cb -0.11 -0.61 -0.06 0.00 0.01 0.00 0.00 72.50 71.73 2ayy s THR 734 CO 0.26 0.00 1.34 -0.89 -0.69 0.00 0.00 174.62 174.65 2ayy s THR 735 N 0.37 3.64 -1.25 -0.82 2.01 -1.26 -1.59 115.64 116.73 2ayy s THR 735 Ca -0.01 1.13 -0.20 0.00 0.31 0.00 0.00 61.69 62.92 2ayy s THR 735 Cb -0.04 -3.73 -0.00 0.00 0.01 0.00 0.00 72.50 68.74 2ayy s THR 735 CO -0.01 0.06 1.83 0.00 -0.69 0.00 0.00 174.62 175.81 2ayy n TYR 736 N 4.43 3.77 -3.92 4.92 9.36 0.02 -4.83 117.16 130.92 2ayy n TYR 736 Ca 0.11 -2.20 -0.29 0.00 3.32 0.00 0.00 57.90 58.84 2ayy n TYR 736 Cb 0.44 -2.63 -0.13 0.00 -0.63 0.00 0.00 39.34 36.38 2ayy n TYR 736 CO 0.00 0.00 0.00 -1.21 0.22 0.00 0.00 176.86 175.87 2ayy s GLU 737 N 5.26 2.08 -0.99 2.98 0.41 -1.26 -4.78 118.70 122.40 2ayy s GLU 737 Ca 0.61 -2.82 -0.01 0.00 -0.41 0.00 0.00 54.97 52.34 2ayy s GLU 737 Cb 0.02 -3.28 -0.01 0.00 -1.78 0.00 0.00 34.13 29.08 2ayy s GLU 737 CO 0.11 -1.17 0.83 0.41 -0.49 0.00 0.00 175.26 174.95 2ayy n GLY 738 N 2.76 -0.30 3.70 -1.39 0.00 -1.26 -5.03 105.19 103.67 2ayy n GLY 738 Ca 0.10 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2ayy n GLY 738 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ayy s GLN 739 N -5.03 2.11 0.02 1.61 -1.52 -1.26 -5.14 119.66 110.45 2ayy s GLN 739 Ca 0.04 -2.32 -0.16 0.00 -1.95 0.00 0.00 55.36 50.98 2ayy s GLN 739 Cb -0.01 -1.37 -0.06 0.00 -0.22 0.00 0.00 33.01 31.36 2ayy s GLN 739 CO 0.61 -0.34 0.45 -1.83 -0.25 0.00 0.00 175.29 173.93 2ayy s GLU 740 N -3.83 3.98 -0.20 2.91 -1.05 -1.26 -5.07 118.70 114.18 2ayy s GLU 740 Ca 0.13 0.49 -0.21 0.00 -0.15 0.00 0.00 54.97 55.23 2ayy s GLU 740 Cb 0.03 -3.22 -0.02 0.00 -0.44 0.00 0.00 34.13 30.47 2ayy s GLU 740 CO 0.07 0.68 0.63 -1.25 0.95 0.00 0.00 175.26 176.33 2ayy s PRO 741 N -1.11 4.20 -0.07 -4.83 0.05 -1.26 -5.07 135.00 126.91 2ayy s PRO 741 Ca 0.25 0.60 -0.11 0.00 0.05 0.00 0.00 61.00 61.79 2ayy s PRO 741 Cb -0.17 -3.58 -0.05 0.00 0.05 0.00 0.00 34.50 30.74 2ayy s PRO 741 CO 0.15 -0.25 0.28 0.99 0.05 0.00 0.00 177.00 178.21 2ayy s THR 742 N 1.96 5.26 -1.45 1.26 2.01 -1.26 -4.68 115.64 118.75 2ayy s THR 742 Ca 0.28 0.53 0.10 0.00 0.31 0.00 0.00 61.69 62.91 2ayy s THR 742 Cb -0.16 -3.57 0.17 0.00 0.01 0.00 0.00 72.50 68.96 2ayy s THR 742 CO 0.10 0.58 1.19 -2.65 -0.69 0.00 0.00 174.62 173.15 2ayy n PRO 743 N 2.05 0.14 0.00 4.92 -0.02 -1.26 -1.57 135.00 139.25 2ayy n PRO 743 Ca -0.16 0.19 0.06 0.00 -2.02 0.00 0.00 63.50 61.56 2ayy n PRO 743 Cb 0.53 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 2ayy n PRO 743 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ayy n GLU 744 N -1.28 2.36 -3.80 -0.52 -0.58 -1.26 -3.33 120.64 112.24 2ayy n GLU 744 Ca 0.05 -0.42 -0.21 0.00 -0.42 0.00 0.00 57.16 56.16 2ayy n GLU 744 Cb 0.08 -1.13 -0.03 0.00 -0.57 0.00 0.00 31.44 29.79 2ayy n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayy s ASP 745 N -1.80 5.53 0.09 1.62 1.01 -0.61 -4.88 116.67 117.62 2ayy s ASP 745 Ca 0.08 -0.36 0.09 0.00 0.71 0.00 0.00 52.55 53.08 2ayy s ASP 745 Cb 0.10 -1.14 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 2ayy s ASP 745 CO 0.39 -0.30 -0.23 0.68 0.21 0.00 0.00 175.17 175.91 2ayy s VAL 746 N -2.23 2.45 -0.32 -1.27 -7.23 -1.26 -2.37 120.40 108.16 2ayy s VAL 746 Ca 0.40 -1.51 -0.09 0.00 -1.81 0.00 0.00 61.98 58.98 2ayy s VAL 746 Cb -0.07 -2.05 0.01 0.00 0.56 0.00 0.00 36.38 34.83 2ayy s VAL 746 CO 0.27 0.21 0.14 -0.22 -0.31 0.00 0.00 175.10 175.20 2ayy s LEU 747 N -1.75 4.18 -0.49 1.32 0.20 -0.86 -2.27 118.68 119.02 2ayy s LEU 747 Ca 0.14 -0.71 -0.19 0.00 0.69 0.00 0.00 54.13 54.07 2ayy s LEU 747 Cb -0.10 -1.97 0.05 0.00 -0.43 0.00 0.00 46.19 43.74 2ayy s LEU 747 CO 0.06 -0.24 0.59 -0.63 -0.29 0.00 0.00 176.35 175.84 2ayy s ILE 748 N 1.56 4.92 0.18 6.68 1.01 -0.20 -0.63 121.20 134.72 2ayy s ILE 748 Ca 0.03 -0.46 0.05 0.00 0.00 0.00 0.00 60.65 60.27 2ayy s ILE 748 Cb -0.18 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 2ayy s ILE 748 CO 0.05 -0.73 0.15 0.42 0.00 0.00 0.00 174.94 174.83 2ayy s THR 749 N 2.53 4.49 0.03 2.92 -4.23 0.04 -0.37 115.64 121.05 2ayy s THR 749 Ca 0.15 -1.13 -0.13 0.00 -1.18 0.00 0.00 61.69 59.40 2ayy s THR 749 Cb -0.19 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.35 2ayy s THR 749 CO 0.12 -0.15 0.28 -0.62 -0.54 0.00 0.00 174.62 173.72 2ayy s ASP 750 N -3.23 -0.11 0.34 3.99 2.15 -0.95 -0.73 116.67 118.13 2ayy s ASP 750 Ca 0.31 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.11 2ayy s ASP 750 Cb -0.10 0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.86 2ayy s ASP 750 CO 0.24 -0.58 0.00 1.21 -0.17 0.00 0.00 175.17 175.87 2ayy n GLU 751 N 0.71 0.00 -3.04 4.34 2.13 -0.95 -4.38 120.64 119.46 2ayy n GLU 751 Ca -0.19 0.00 -0.43 0.00 0.66 0.00 0.00 57.16 57.20 2ayy n GLU 751 Cb 0.59 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.24 2ayy n GLU 751 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ayy s VAL 752 N 0.00 4.70 0.04 6.31 1.01 -1.26 -4.80 120.40 126.40 2ayy s VAL 752 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 61.98 61.77 2ayy s VAL 752 Cb 0.00 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.98 2ayy s VAL 752 CO 0.00 -0.89 0.03 0.68 0.00 0.00 0.00 175.10 174.92 2ayy s VAL 753 N 3.09 0.15 -0.34 2.92 -7.23 -1.26 -5.08 120.40 112.66 2ayy s VAL 753 Ca 0.21 -1.26 0.15 0.00 -1.81 0.00 0.00 61.98 59.27 2ayy s VAL 753 Cb -0.17 -0.94 0.44 0.00 0.56 0.00 0.00 36.38 36.27 2ayy s VAL 753 CO 0.15 -0.70 1.11 -1.20 -0.31 0.00 0.00 175.10 174.15 2ayy n SER 754 N 0.75 0.28 -4.16 4.85 7.64 -1.26 -4.33 113.62 117.39 2ayy n SER 754 Ca -0.19 -2.57 -0.26 0.00 1.01 0.00 0.00 58.87 56.87 2ayy n SER 754 Cb 0.58 0.01 -0.16 0.00 -1.01 0.00 0.00 64.21 63.64 2ayy n SER 754 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2ayy s LYS 755 N -1.99 1.61 0.02 1.43 -2.85 -1.26 -5.00 119.74 111.71 2ayy s LYS 755 Ca 0.25 -0.63 -0.13 0.00 -1.00 0.00 0.00 55.97 54.46 2ayy s LYS 755 Cb 0.43 -1.48 -0.06 0.00 -2.06 0.00 0.00 37.83 34.66 2ayy s LYS 755 CO -0.01 0.32 0.40 0.15 0.10 0.00 0.00 175.35 176.31 2ayy s LYS 756 N -0.22 3.86 -0.63 1.78 -0.14 -1.26 -5.02 119.74 118.11 2ayy s LYS 756 Ca 0.02 0.33 -0.27 0.00 -1.36 0.00 0.00 55.97 54.69 2ayy s LYS 756 Cb -0.09 -3.15 0.01 0.00 -1.68 0.00 0.00 37.83 32.93 2ayy s LYS 756 CO 0.01 0.65 1.44 -0.46 -0.76 0.00 0.00 175.35 176.22 2ayy s TRP 757 N -1.18 2.18 -1.45 3.18 -0.00 -1.26 -4.88 118.94 115.53 2ayy s TRP 757 Ca 0.26 0.34 -0.10 0.00 -0.00 0.00 0.00 56.10 56.61 2ayy s TRP 757 Cb -0.16 -4.43 -0.11 0.00 -0.00 0.00 0.00 33.47 28.78 2ayy s TRP 757 CO 0.14 -2.06 3.03 1.04 -0.00 0.00 0.00 176.95 179.10 2ayy n GLN 758 N 9.00 3.55 0.00 5.86 3.00 -1.26 -4.66 117.38 132.87 2ayy n GLN 758 Ca 0.10 -2.10 0.00 0.00 -0.01 0.00 0.00 57.00 55.00 2ayy n GLN 758 Cb 0.50 -2.71 0.00 0.00 0.00 0.00 0.00 30.24 28.02 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ayy n GLY 759 N 3.43 4.13 0.00 1.08 0.00 -1.26 -4.50 105.19 108.08 2ayy n GLY 759 Ca 0.75 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2ayy n GLY 759 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ayy n ARG 760 N 0.00 0.00 -3.98 1.61 0.63 -1.00 -4.68 116.66 109.23 2ayy n ARG 760 Ca 0.00 0.08 -0.09 0.00 -0.92 0.00 0.00 57.85 56.92 2ayy n ARG 760 Cb 0.00 -0.49 -0.10 0.00 0.45 0.00 0.00 32.46 32.32 2ayy n ARG 760 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ayy s ALA 761 N -3.97 0.14 0.05 5.13 0.00 -1.25 -4.88 121.76 116.97 2ayy s ALA 761 Ca 0.00 -0.72 0.05 0.00 0.00 0.00 0.00 51.96 51.29 2ayy s ALA 761 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 2ayy s ALA 761 CO 0.00 -0.28 -0.08 0.08 0.00 0.00 0.00 175.76 175.48 2ayy s VAL 762 N -2.54 3.51 -0.38 0.00 1.01 -0.13 -2.02 120.40 119.84 2ayy s VAL 762 Ca -0.06 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.95 2ayy s VAL 762 Cb -0.02 -2.57 0.12 0.00 0.00 0.00 0.00 36.38 33.91 2ayy s VAL 762 CO -0.05 0.28 0.17 -0.69 0.00 0.00 0.00 175.10 174.81 2ayy s VAL 763 N -1.08 1.33 -0.26 2.92 1.01 0.20 -0.47 120.40 124.05 2ayy s VAL 763 Ca 0.19 -2.14 -0.08 0.00 0.00 0.00 0.00 61.98 59.96 2ayy s VAL 763 Cb -0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 2ayy s VAL 763 CO 0.10 -0.78 0.08 -0.89 0.00 0.00 0.00 175.10 173.61 2ayy s THR 764 N 0.85 4.33 -0.49 3.92 2.01 -0.32 -0.78 115.64 125.16 2ayy s THR 764 Ca 0.14 -0.26 -0.21 0.00 0.31 0.00 0.00 61.69 61.67 2ayy s THR 764 Cb -0.21 -3.07 0.04 0.00 0.01 0.00 0.00 72.50 69.26 2ayy s THR 764 CO -0.10 0.27 0.70 -0.36 -0.69 0.00 0.00 174.62 174.44 2ayy s PHE 765 N 1.60 3.00 0.03 4.92 0.40 0.09 -2.34 117.98 125.69 2ayy s PHE 765 Ca 0.06 -0.25 0.04 0.00 -0.60 0.00 0.00 56.93 56.18 2ayy s PHE 765 Cb -0.16 -3.57 -0.04 0.00 0.51 0.00 0.00 43.02 39.77 2ayy s PHE 765 CO 0.04 -1.03 -0.04 0.00 0.70 0.00 0.00 175.22 174.89 2ayy n ARG 767 N 1.19 0.40 -2.84 0.00 3.00 -1.26 -3.27 116.66 113.87 2ayy n ARG 767 Ca -0.14 0.17 -0.02 0.00 -0.00 0.00 0.00 57.85 57.86 2ayy n ARG 767 Cb 0.52 -1.17 0.01 0.00 0.00 0.00 0.00 32.46 31.82 2ayy n ARG 767 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2ayy s ARG 768 N -2.45 0.76 -0.24 -0.14 6.06 -1.26 -4.99 118.95 116.69 2ayy s ARG 768 Ca -0.25 -0.63 -0.28 0.00 -2.50 0.00 0.00 55.73 52.08 2ayy s ARG 768 Cb 0.08 -0.00 0.16 0.00 0.06 0.00 0.00 34.95 35.24 2ayy s ARG 768 CO 0.33 -0.98 1.18 -1.58 -2.50 0.00 0.00 175.30 171.74 2ayy s HIS 769 N 1.20 -0.24 0.15 5.12 2.46 -1.26 -5.10 115.29 117.61 2ayy s HIS 769 Ca 0.24 0.49 0.06 0.00 0.47 0.00 0.00 55.06 56.32 2ayy s HIS 769 Cb 0.02 0.45 -0.04 0.00 -0.13 0.00 0.00 32.58 32.88 2ayy s HIS 769 CO -0.07 -0.18 0.01 0.42 -2.47 0.00 0.00 174.74 172.45 2ayy s ILE 770 N -0.63 3.90 0.00 0.89 1.01 -1.26 -4.84 121.20 120.26 2ayy s ILE 770 Ca 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 60.65 59.44 2ayy s ILE 770 Cb -0.02 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.52 2ayy s ILE 770 CO -0.05 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.46 2ayy n GLY 771 N 0.07 1.99 3.72 6.18 0.00 -1.26 -5.05 105.19 110.84 2ayy n GLY 771 Ca -0.10 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2ayy n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 772 N 0.00 4.63 -0.16 -0.61 1.01 -1.26 -4.87 121.20 119.93 2ayy s ILE 772 Ca 0.00 -0.12 -0.36 0.00 0.00 0.00 0.00 60.65 60.16 2ayy s ILE 772 Cb 0.00 -2.98 -0.13 0.00 0.01 0.00 0.00 42.46 39.36 2ayy s ILE 772 CO 0.00 0.60 1.85 -2.65 0.00 0.00 0.00 174.94 174.74 2ayy n PRO 773 N 2.21 1.82 -1.77 2.79 -0.02 -1.26 -4.85 135.00 133.92 2ayy n PRO 773 Ca -0.19 0.66 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 2ayy n PRO 773 Cb 0.54 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2ayy n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayy n LEU 774 N 6.32 6.82 0.00 2.45 -0.00 -1.26 -4.87 117.00 126.46 2ayy n LEU 774 Ca 0.24 -4.15 0.00 0.00 -0.00 0.00 0.00 56.01 52.10 2ayy n LEU 774 Cb 0.24 -1.66 0.00 0.00 -0.00 0.00 0.00 43.42 42.00 2ayy n LEU 774 CO 0.76 1.10 0.00 1.21 -0.00 0.00 0.00 177.39 180.46 2ayy n GLU 775 N 6.08 0.00 -2.42 1.47 2.13 -1.25 -4.84 120.64 121.80 2ayy n GLU 775 Ca 0.52 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 58.26 2ayy n GLU 775 Cb 0.39 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.10 2ayy n GLU 775 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2ayy n LYS 776 N 14.00 -2.46 -3.64 5.31 4.76 -1.26 -4.89 118.16 129.98 2ayy n LYS 776 Ca 0.00 0.39 -0.10 0.00 -2.87 0.00 0.00 58.31 55.73 2ayy n LYS 776 Cb 0.00 -4.94 -0.07 0.00 -1.84 0.00 0.00 35.03 28.18 2ayy n LYS 776 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ayy s ALA 777 N -2.37 -1.87 -1.03 7.82 0.00 -1.26 -5.08 121.76 117.97 2ayy s ALA 777 Ca 0.00 2.23 -0.24 0.00 0.00 0.00 0.00 51.96 53.95 2ayy s ALA 777 Cb 0.00 -1.35 -0.14 0.00 0.00 0.00 0.00 23.12 21.63 2ayy s ALA 777 CO 0.00 -0.35 1.94 -2.30 0.00 0.00 0.00 175.76 175.05 2ayy n PRO 778 N 3.52 1.24 0.00 0.00 -0.02 -1.26 -2.71 135.00 135.78 2ayy n PRO 778 Ca -0.17 -2.16 0.00 0.00 -2.02 0.00 0.00 63.50 59.15 2ayy n PRO 778 Cb 0.57 -3.56 0.00 0.00 -0.02 0.00 0.00 33.50 30.49 2ayy n PRO 778 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ayy n GLY 779 N 5.58 0.05 3.14 -1.23 0.00 -1.26 -5.09 105.19 106.38 2ayy n GLY 779 Ca 0.45 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.17 2ayy n GLY 779 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ayy s GLU 780 N 0.00 2.65 -0.19 1.61 1.03 -1.10 -0.96 118.70 121.75 2ayy s GLU 780 Ca 0.00 -0.73 -0.05 0.00 0.03 0.00 0.00 54.97 54.22 2ayy s GLU 780 Cb 0.00 -2.11 -0.03 0.00 -0.80 0.00 0.00 34.13 31.19 2ayy s GLU 780 CO 0.00 0.05 0.01 -1.58 -1.33 0.00 0.00 175.26 172.40 2ayy s TRP 781 N 0.67 3.08 -0.08 4.83 0.52 0.38 -3.97 118.94 124.36 2ayy s TRP 781 Ca -0.12 -0.30 -0.01 0.00 0.02 0.00 0.00 56.10 55.69 2ayy s TRP 781 Cb -0.16 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.07 2ayy s TRP 781 CO 0.03 -0.11 -0.03 0.54 0.02 0.00 0.00 176.95 177.40 2ayy s VAL 782 N 0.73 4.05 -0.09 4.03 0.11 -1.26 -1.18 120.40 126.79 2ayy s VAL 782 Ca 0.00 -0.34 -0.26 0.00 -2.93 0.00 0.00 61.98 58.45 2ayy s VAL 782 Cb -0.14 -2.69 0.06 0.00 -1.53 0.00 0.00 36.38 32.08 2ayy s VAL 782 CO 0.02 0.59 0.60 -2.28 -3.33 0.00 0.00 175.10 170.71 2ayy s HIS 783 N -0.77 -0.59 0.52 1.54 2.46 -0.99 -4.98 115.29 112.49 2ayy s HIS 783 Ca 0.12 1.13 -0.19 0.00 0.47 0.00 0.00 55.06 56.59 2ayy s HIS 783 Cb -0.11 0.31 -0.07 0.00 -0.13 0.00 0.00 32.58 32.58 2ayy s HIS 783 CO 0.02 -0.50 1.05 -1.12 -2.47 0.00 0.00 174.74 171.72 2ayy s SER 784 N -0.82 6.10 -1.08 9.88 0.01 -1.26 -1.03 113.70 125.51 2ayy s SER 784 Ca -0.09 1.93 -0.19 0.00 1.31 0.00 0.00 55.95 58.91 2ayy s SER 784 Cb -0.02 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.58 2ayy s SER 784 CO 0.07 -0.95 2.00 0.52 0.41 0.00 0.00 173.24 175.29 2ayy n VAL 785 N -1.32 2.51 -2.67 3.43 0.31 -1.20 -3.95 118.33 115.44 2ayy n VAL 785 Ca 0.09 -2.29 -0.02 0.00 -0.01 0.00 0.00 64.34 62.11 2ayy n VAL 785 Cb 0.52 -2.39 0.12 0.00 -0.91 0.00 0.00 33.84 31.19 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ayy n ALA 786 N 8.05 2.90 -2.90 3.52 0.00 -1.26 -5.03 120.51 125.79 2ayy n ALA 786 Ca 0.50 -1.10 -0.13 0.00 0.00 0.00 0.00 53.44 52.71 2ayy n ALA 786 Cb 0.41 -0.81 0.03 0.00 0.00 0.00 0.00 19.45 19.08 2ayy n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayy n ALA 787 N -1.47 0.14 1.24 0.00 0.00 -1.25 -4.91 120.51 114.25 2ayy n ALA 787 Ca -0.17 -2.15 0.13 0.00 0.00 0.00 0.00 53.44 51.25 2ayy n ALA 787 Cb 0.87 -1.10 0.66 0.00 0.00 0.00 0.00 19.45 19.88 2ayy n ALA 787 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ayy n PRO 788 N 0.80 0.39 -0.06 0.00 -0.02 -1.26 -1.82 135.00 133.03 2ayy n PRO 788 Ca 0.13 0.04 -0.21 0.00 -2.02 0.00 0.00 63.50 61.44 2ayy n PRO 788 Cb 0.65 -1.50 -0.13 0.00 -0.02 0.00 0.00 33.50 32.50 2ayy n PRO 788 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2ayy n HIS 789 N -1.27 0.75 0.14 6.00 -0.00 -1.26 -4.33 115.22 115.25 2ayy n HIS 789 Ca 0.13 0.19 0.01 0.00 -0.00 0.00 0.00 57.72 58.05 2ayy n HIS 789 Cb 0.20 -1.09 0.11 0.00 -0.00 0.00 0.00 29.99 29.21 2ayy n HIS 789 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2ayy h GLU 790 N -0.22 0.00 0.56 1.57 5.08 -1.93 -3.37 114.58 116.27 2ayy h GLU 790 Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2ayy h GLU 790 Cb 1.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.08 2ayy h GLU 790 CO -0.06 0.59 -0.39 1.25 -1.00 0.00 0.00 179.01 179.40 2ayy h LEU 791 N 0.00 -1.02 -1.50 1.33 5.85 -1.55 0.63 115.31 119.05 2ayy h LEU 791 Ca -0.01 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2ayy h LEU 791 Cb 1.28 0.31 -0.02 0.00 0.37 0.00 0.00 40.66 42.61 2ayy h LEU 791 CO 0.08 -0.59 0.20 -0.65 -0.34 0.00 0.00 178.44 177.14 2ayy h PRO 792 N -0.92 0.54 -0.03 5.25 0.11 -1.78 -1.03 132.00 134.14 2ayy h PRO 792 Ca -0.06 -0.05 -0.21 0.00 0.11 0.00 0.00 66.00 65.78 2ayy h PRO 792 Cb 0.77 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 2ayy h PRO 792 CO 0.03 0.41 -0.86 0.00 -0.21 0.00 0.00 178.00 177.37 2ayy h ALA 793 N 1.68 0.44 -0.61 -0.75 0.00 -1.67 -2.15 119.26 116.19 2ayy h ALA 793 Ca 0.14 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 2ayy h ALA 793 Cb 0.04 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2ayy h ALA 793 CO -0.02 0.80 0.05 1.25 0.00 0.00 0.00 179.25 181.32 2ayy h LEU 794 N 0.25 1.00 -0.38 0.00 5.85 -0.23 0.23 115.31 122.04 2ayy h LEU 794 Ca -0.06 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.42 2ayy h LEU 794 Cb 1.48 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 2ayy h LEU 794 CO 0.15 1.03 0.20 0.25 -0.34 0.00 0.00 178.44 179.73 2ayy h LEU 795 N 0.96 0.31 -1.37 2.25 6.46 -1.14 -0.73 115.31 122.06 2ayy h LEU 795 Ca 0.18 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 2ayy h LEU 795 Cb 0.49 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.36 2ayy h LEU 795 CO 0.02 0.23 -0.15 0.00 -0.62 0.00 0.00 178.44 177.91 2ayy h ALA 796 N 1.18 1.48 -0.29 1.25 0.00 -0.98 0.21 119.26 122.11 2ayy h ALA 796 Ca 0.16 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2ayy h ALA 796 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2ayy h ALA 796 CO -0.09 0.37 -0.04 -0.09 0.00 0.00 0.00 179.25 179.40 2ayy h ARG 797 N 0.22 0.55 -0.34 0.00 9.65 -0.31 0.61 114.38 124.76 2ayy h ARG 797 Ca 0.04 -0.19 -0.08 0.00 -1.10 0.00 0.00 59.98 58.65 2ayy h ARG 797 Cb 0.41 -0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2ayy h ARG 797 CO 0.03 0.72 -0.09 0.82 2.80 0.00 0.00 179.97 184.25 2ayy h ILE 798 N 0.32 1.28 0.00 1.20 2.04 -0.72 -2.59 117.51 119.05 2ayy h ILE 798 Ca 0.08 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.79 2ayy h ILE 798 Cb 0.50 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2ayy h ILE 798 CO 0.02 0.37 0.00 -1.22 0.00 0.00 0.00 178.15 177.33 2ayy n TYR 799 N -4.42 0.00 -3.31 1.37 4.01 0.02 -4.92 117.16 109.92 2ayy n TYR 799 Ca -0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.56 2ayy n TYR 799 Cb 0.34 -0.08 0.07 0.00 -0.31 0.00 0.00 39.34 39.36 2ayy n TYR 799 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2ayy n LEU 800 N -1.08 -5.21 0.00 7.72 -0.00 -0.19 -5.03 117.00 113.21 2ayy n LEU 800 Ca 0.20 -0.71 0.00 0.00 -0.00 0.00 0.00 56.01 55.51 2ayy n LEU 800 Cb 0.14 -3.16 0.00 0.00 -0.00 0.00 0.00 43.42 40.40 2ayy n LEU 800 CO 0.18 0.17 0.00 -0.38 -0.00 0.00 0.00 177.39 177.37 2ayy n ILE 801 N -3.45 0.00 -1.03 1.96 5.41 0.20 -5.02 119.36 117.43 2ayy n ILE 801 Ca -0.12 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.63 2ayy n ILE 801 Cb 0.63 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.56 2ayy n ILE 801 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2ayy n GLU 802 N 0.00 0.00 -4.62 0.38 2.13 -1.26 -5.00 120.64 112.27 2ayy n GLU 802 Ca 0.00 -0.09 -0.30 0.00 0.66 0.00 0.00 57.16 57.43 2ayy n GLU 802 Cb 0.00 -0.49 -0.13 0.00 0.27 0.00 0.00 31.44 31.09 2ayy n GLU 802 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2ayy s MET 803 N 0.00 1.79 0.20 5.31 -1.94 -1.26 -5.08 119.30 118.32 2ayy s MET 803 Ca 0.00 -1.14 -0.08 0.00 -1.71 0.00 0.00 55.69 52.76 2ayy s MET 803 Cb 0.00 -2.05 -0.02 0.00 2.01 0.00 0.00 34.83 34.78 2ayy s MET 803 CO 0.00 0.50 0.30 -1.21 -0.01 0.00 0.00 175.02 174.60 2ayy s GLU 804 N -1.63 1.29 -0.47 2.03 2.02 -1.25 -2.92 118.70 117.76 2ayy s GLU 804 Ca 0.14 -1.32 0.06 0.00 0.02 0.00 0.00 54.97 53.87 2ayy s GLU 804 Cb -0.10 0.38 0.18 0.00 0.10 0.00 0.00 34.13 34.68 2ayy s GLU 804 CO 0.05 -0.48 0.55 -1.12 0.02 0.00 0.00 175.26 174.28 2ayy s SER 805 N -3.03 -0.15 -0.34 -0.19 0.01 -1.26 -4.85 113.70 103.88 2ayy s SER 805 Ca 0.25 -2.34 0.02 0.00 1.31 0.00 0.00 55.95 55.19 2ayy s SER 805 Cb 0.03 0.84 0.10 0.00 0.21 0.00 0.00 66.02 67.21 2ayy s SER 805 CO 0.06 -0.11 0.09 -0.62 0.41 0.00 0.00 173.24 173.07 2ayy s ASP 806 N 0.51 4.40 -0.01 2.44 -1.08 -1.26 -5.00 116.67 116.67 2ayy s ASP 806 Ca 0.31 -2.02 -0.07 0.00 -0.52 0.00 0.00 52.55 50.26 2ayy s ASP 806 Cb 0.02 -1.30 -0.05 0.00 -1.46 0.00 0.00 42.92 40.13 2ayy s ASP 806 CO -0.12 -0.38 0.25 1.51 0.52 0.00 0.00 175.17 176.95 2ayy s ASP 807 N 1.10 6.49 -0.21 -0.34 1.47 -1.26 -5.09 116.67 118.82 2ayy s ASP 807 Ca 0.11 0.55 -0.15 0.00 1.18 0.00 0.00 52.55 54.24 2ayy s ASP 807 Cb -0.19 -2.09 -0.04 0.00 -0.34 0.00 0.00 42.92 40.26 2ayy s ASP 807 CO -0.14 0.28 0.36 -2.16 0.68 0.00 0.00 175.17 174.19 2ayy s PRO 808 N -1.64 4.15 -0.10 2.11 0.04 -1.26 -5.08 135.00 133.22 2ayy s PRO 808 Ca 0.26 0.12 -0.06 0.00 0.04 0.00 0.00 61.00 61.36 2ayy s PRO 808 Cb -0.13 -3.55 0.04 0.00 0.04 0.00 0.00 34.50 30.90 2ayy s PRO 808 CO 0.15 -0.04 0.23 0.00 0.04 0.00 0.00 177.00 177.38 2ayy s ALA 809 N 1.33 -0.53 -0.19 8.56 0.00 -1.26 -5.15 121.76 124.51 2ayy s ALA 809 Ca 0.17 0.90 -0.16 0.00 0.00 0.00 0.00 51.96 52.87 2ayy s ALA 809 Cb -0.15 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.46 2ayy s ALA 809 CO 0.07 -0.18 0.50 1.21 0.00 0.00 0.00 175.76 177.36 2ayy s ASN 810 N 1.01 -0.55 -0.04 0.00 2.47 -1.26 -5.16 114.94 111.42 2ayy s ASN 810 Ca -0.07 1.02 0.04 0.00 0.42 0.00 0.00 52.86 54.26 2ayy s ASN 810 Cb -0.09 1.00 -0.00 0.00 -1.45 0.00 0.00 41.25 40.71 2ayy s ASN 810 CO -0.06 -0.18 -0.15 0.00 -3.72 0.00 0.00 177.10 172.99 2ayy s ALA 811 N 0.57 1.31 -0.29 1.71 0.00 -1.26 -5.11 121.76 118.69 2ayy s ALA 811 Ca -0.02 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.40 2ayy s ALA 811 Cb -0.04 -0.44 0.19 0.00 0.00 0.00 0.00 23.12 22.82 2ayy s ALA 811 CO -0.03 0.24 0.53 -1.17 0.00 0.00 0.00 175.76 175.33 2ayy s LEU 812 N 0.07 -1.35 -0.96 0.00 2.96 -1.26 -5.10 118.68 113.04 2ayy s LEU 812 Ca -0.03 0.08 -0.24 0.00 -0.22 0.00 0.00 54.13 53.72 2ayy s LEU 812 Cb -0.10 1.76 0.02 0.00 0.50 0.00 0.00 46.19 48.37 2ayy s LEU 812 CO 0.02 -0.31 1.56 -2.16 -1.32 0.00 0.00 176.35 174.14 2ayy s PRO 813 N 2.74 3.29 0.35 0.98 0.04 -1.26 -4.79 135.00 136.36 2ayy s PRO 813 Ca 0.11 -0.81 0.16 0.00 0.04 0.00 0.00 61.00 60.50 2ayy s PRO 813 Cb -0.11 -5.17 0.64 0.00 0.04 0.00 0.00 34.50 29.90 2ayy s PRO 813 CO -0.26 -2.49 1.74 0.77 0.04 0.00 0.00 177.00 176.79 2ayy h SER 814 N 10.31 0.00 -3.54 6.66 0.02 -2.06 -3.32 113.55 121.61 2ayy h SER 814 Ca 0.13 0.00 -0.71 0.00 -0.84 0.00 0.00 61.79 60.37 2ayy h SER 814 Cb 1.02 0.00 -0.35 0.00 0.14 0.00 0.00 62.40 63.21 2ayy h SER 814 CO 1.36 0.43 -0.15 -0.89 -1.14 0.00 0.00 176.83 176.44 2ayy s THR 815 N -3.76 4.24 -2.44 -2.27 2.01 -1.26 -5.38 115.64 106.79 2ayy s THR 815 Ca -0.01 -3.63 0.29 0.00 0.31 0.00 0.00 61.69 58.65 2ayy s THR 815 Cb 0.12 -3.66 0.60 0.00 0.01 0.00 0.00 72.50 69.57 2ayy s THR 815 CO 0.71 -1.04 1.81 -0.90 -0.69 0.00 0.00 174.62 174.51