#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 -0.50 0.00 3.17 0.00 -1.26 -5.18 105.19 101.42 2ayy n GLY 697 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.49 3.57 -0.02 0.00 -1.26 -5.16 105.19 101.83 2ayy n GLY 698 Ca 0.00 -1.45 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 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 3.11 0.00 1.61 0.01 -1.26 -5.16 113.70 108.01 2ayy s SER 699 Ca 0.00 -1.73 0.00 0.00 1.31 0.00 0.00 55.95 55.53 2ayy s SER 699 Cb 0.00 0.62 0.00 0.00 0.21 0.00 0.00 66.02 66.85 2ayy s SER 699 CO 0.00 -0.98 0.00 0.61 0.41 0.00 0.00 173.24 173.28 2ayy n GLY 700 N -1.02 1.17 3.17 3.44 0.00 -1.26 -5.18 105.19 105.52 2ayy n GLY 700 Ca -0.09 0.46 -0.16 0.00 0.00 0.00 0.00 46.02 46.23 2ayy n GLY 700 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayy s VAL 701 N 0.00 1.02 -0.18 1.61 0.11 -1.26 -5.14 120.40 116.55 2ayy s VAL 701 Ca 0.00 -1.47 -0.10 0.00 -2.93 0.00 0.00 61.98 57.48 2ayy s VAL 701 Cb 0.00 -1.20 -0.05 0.00 -1.53 0.00 0.00 36.38 33.60 2ayy s VAL 701 CO 0.00 -0.40 0.15 -1.61 -3.33 0.00 0.00 175.10 169.91 2ayy s GLU 702 N -2.26 4.07 -0.53 1.54 8.01 -1.26 -5.06 118.70 123.20 2ayy s GLU 702 Ca 0.02 -0.18 -0.16 0.00 0.01 0.00 0.00 54.97 54.65 2ayy s GLU 702 Cb -0.06 -3.38 0.11 0.00 -4.31 0.00 0.00 34.13 26.48 2ayy s GLU 702 CO 0.01 0.38 0.51 0.20 0.01 0.00 0.00 175.26 176.37 2ayy s GLY 703 N 0.12 2.01 0.59 -1.39 0.00 -1.26 -5.06 107.32 102.33 2ayy s GLY 703 Ca 0.10 -2.33 -0.14 0.00 0.00 0.00 0.00 44.72 42.34 2ayy s GLY 703 CO -0.00 1.23 1.03 1.08 0.00 0.00 0.00 173.10 176.43 2ayy s LEU 704 N 1.83 3.44 -0.02 0.66 2.01 -1.26 -5.07 118.68 120.26 2ayy s LEU 704 Ca 0.05 1.63 0.01 0.00 0.01 0.00 0.00 54.13 55.83 2ayy s LEU 704 Cb -0.27 -4.51 0.01 0.00 0.01 0.00 0.00 46.19 41.43 2ayy s LEU 704 CO 0.05 -0.96 -0.04 -0.44 1.01 0.00 0.00 176.35 175.97 2ayy s SER 705 N -3.29 0.63 -0.27 2.29 0.01 -1.26 -5.14 113.70 106.66 2ayy s SER 705 Ca 0.60 -0.09 -0.24 0.00 1.31 0.00 0.00 55.95 57.53 2ayy s SER 705 Cb -0.13 -0.20 0.09 0.00 0.21 0.00 0.00 66.02 65.99 2ayy s SER 705 CO 0.41 -0.01 0.80 -0.83 0.41 0.00 0.00 173.24 174.02 2ayy s GLY 706 N 0.42 -0.45 0.61 3.44 0.00 -1.26 -5.12 107.32 104.96 2ayy s GLY 706 Ca -0.05 2.26 -0.15 0.00 0.00 0.00 0.00 44.72 46.78 2ayy s GLY 706 CO -0.00 1.87 1.07 0.54 0.00 0.00 0.00 173.10 176.57 2ayy s LYS 707 N 0.52 3.20 -0.13 2.90 1.02 -1.26 -4.88 119.74 121.11 2ayy s LYS 707 Ca -0.01 1.23 -0.01 0.00 0.02 0.00 0.00 55.97 57.20 2ayy s LYS 707 Cb -0.05 -2.02 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 2ayy s LYS 707 CO -0.04 -0.91 -0.11 1.03 -0.92 0.00 0.00 175.35 174.41 2ayy s ARG 708 N -4.13 3.41 -0.38 1.68 0.52 -1.26 -2.20 118.95 116.60 2ayy s ARG 708 Ca 0.64 -0.65 -0.11 0.00 -0.52 0.00 0.00 55.73 55.09 2ayy s ARG 708 Cb -0.17 -2.68 0.03 0.00 0.52 0.00 0.00 34.95 32.66 2ayy s ARG 708 CO 0.39 0.24 0.22 0.00 0.02 0.00 0.00 175.30 176.16 2ayy s TRP 710 N 1.54 3.26 -0.16 0.00 0.52 -0.65 -0.70 118.94 122.76 2ayy s TRP 710 Ca 0.02 0.61 -0.02 0.00 0.02 0.00 0.00 56.10 56.72 2ayy s TRP 710 Cb -0.20 -2.74 -0.02 0.00 -1.15 0.00 0.00 33.47 29.36 2ayy s TRP 710 CO 0.06 -0.30 -0.07 -0.48 0.02 0.00 0.00 176.95 176.18 2ayy s LEU 711 N 2.32 3.00 -0.51 2.99 2.34 -0.11 -0.81 118.68 127.89 2ayy s LEU 711 Ca 0.21 -0.24 0.07 0.00 0.06 0.00 0.00 54.13 54.23 2ayy s LEU 711 Cb -0.16 -1.72 0.34 0.00 -0.56 0.00 0.00 46.19 44.10 2ayy s LEU 711 CO 0.09 0.13 0.88 0.00 -1.06 0.00 0.00 176.35 176.40 2ayy n ALA 712 N 3.76 3.83 -2.68 1.48 0.00 0.12 -0.87 120.51 126.15 2ayy n ALA 712 Ca -0.18 -4.29 -0.36 0.00 0.00 0.00 0.00 53.44 48.60 2ayy n ALA 712 Cb 0.52 -0.79 -0.09 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.81 5.34 -0.09 0.00 1.01 -1.26 -2.58 120.40 119.01 2ayy s VAL 713 Ca 0.46 0.27 0.13 0.00 0.00 0.00 0.00 61.98 62.84 2ayy s VAL 713 Cb 0.30 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2ayy s VAL 713 CO -0.12 0.35 1.34 0.03 0.00 0.00 0.00 175.10 176.71 2ayy h ARG 714 N 7.31 0.00 -6.06 2.72 3.08 -1.96 -3.40 114.38 116.06 2ayy h ARG 714 Ca -0.38 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.13 2ayy h ARG 714 Cb 1.17 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.13 2ayy h ARG 714 CO 0.69 0.59 1.33 1.21 -1.07 0.00 0.00 179.97 182.71 2ayy s ASN 715 N -6.45 6.21 0.22 7.04 3.84 -1.26 -4.86 114.94 119.67 2ayy s ASN 715 Ca 0.03 -1.19 -0.08 0.00 0.21 0.00 0.00 52.86 51.83 2ayy s ASN 715 Cb 0.08 -2.57 0.33 0.00 -0.55 0.00 0.00 41.25 38.54 2ayy s ASN 715 CO 0.77 -1.77 1.74 0.00 -2.79 0.00 0.00 177.10 175.05 2ayy h ALA 716 N 10.19 0.87 -0.19 1.71 0.00 -1.99 0.27 119.26 130.12 2ayy h ALA 716 Ca 0.13 0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2ayy h ALA 716 Cb 1.02 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 2ayy h ALA 716 CO 1.37 -0.18 0.03 0.77 0.00 0.00 0.00 179.25 181.24 2ayy h SER 717 N 0.44 -0.01 -0.28 0.00 0.02 -1.97 -0.76 113.55 110.99 2ayy h SER 717 Ca 0.34 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.31 2ayy h SER 717 Cb 0.43 0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2ayy h SER 717 CO -0.33 0.02 0.12 0.25 -1.14 0.00 0.00 176.83 175.75 2ayy h LEU 718 N 0.10 0.38 -0.46 5.07 6.46 -1.74 -2.79 115.31 122.33 2ayy h LEU 718 Ca 0.09 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2ayy h LEU 718 Cb 0.09 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.90 2ayy h LEU 718 CO -0.13 0.43 0.15 0.00 -0.62 0.00 0.00 178.44 178.27 2ayy h GLN 720 N 0.60 0.70 -0.41 0.00 3.07 -1.18 -1.10 115.11 116.79 2ayy h GLN 720 Ca 0.15 -0.39 -0.12 0.00 0.09 0.00 0.00 58.65 58.38 2ayy h GLN 720 Cb 0.26 0.02 -0.01 0.00 0.08 0.00 0.00 27.48 27.83 2ayy h GLN 720 CO -0.01 1.00 -0.21 0.35 0.09 0.00 0.00 178.83 180.05 2ayy h PHE 721 N 0.56 1.01 -0.00 0.06 3.57 -1.29 -2.81 116.94 118.04 2ayy h PHE 721 Ca 0.04 -0.25 -0.00 0.00 3.53 0.00 0.00 57.97 61.28 2ayy h PHE 721 Cb 0.99 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 39.50 2ayy h PHE 721 CO 0.05 1.04 0.00 1.25 -2.23 0.00 0.00 178.31 178.42 2ayy h LEU 722 N 0.69 0.00 -0.24 0.59 7.12 -0.90 -2.46 115.31 120.13 2ayy h LEU 722 Ca 0.09 -0.20 -0.02 0.00 0.13 0.00 0.00 57.88 57.88 2ayy h LEU 722 Cb 0.78 -0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.90 2ayy h LEU 722 CO 0.06 0.21 0.07 1.05 -0.13 0.00 0.00 178.44 179.70 2ayy h GLU 723 N -0.20 0.37 -0.36 1.25 -0.00 -1.22 -2.32 114.58 112.09 2ayy h GLU 723 Ca 0.00 -0.08 -0.05 0.00 -0.00 0.00 0.00 59.36 59.23 2ayy h GLU 723 Cb 0.20 -0.05 -0.02 0.00 -0.00 0.00 0.00 28.75 28.88 2ayy h GLU 723 CO -0.00 0.46 0.01 1.15 -0.00 0.00 0.00 179.01 180.63 2ayy h THR 724 N 0.21 1.20 -0.56 -1.06 2.02 -1.55 -0.14 112.91 113.03 2ayy h THR 724 Ca 0.08 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 2ayy h THR 724 Cb 0.25 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2ayy h THR 724 CO -0.00 0.27 0.21 0.28 0.37 0.00 0.00 175.52 176.66 2ayy h SER 725 N 0.54 0.78 1.08 4.18 0.02 -1.05 -3.06 113.55 116.04 2ayy h SER 725 Ca 0.12 -0.18 -0.18 0.00 -0.84 0.00 0.00 61.79 60.71 2ayy h SER 725 Cb 0.33 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2ayy h SER 725 CO 0.01 0.74 -0.96 0.17 -1.14 0.00 0.00 176.83 175.65 2ayy h LEU 726 N 0.76 0.00 -1.26 5.07 8.10 -1.10 -3.31 115.31 123.58 2ayy h LEU 726 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.17 2ayy h LEU 726 Cb 0.22 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.44 2ayy h LEU 726 CO -0.01 0.76 0.00 1.56 -4.11 0.00 0.00 178.44 176.64 2ayy h GLN 727 N 0.00 0.00 0.00 0.17 4.20 -0.92 -0.86 115.11 117.70 2ayy h GLN 727 Ca -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2ayy h GLN 727 Cb 1.63 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.41 2ayy h GLN 727 CO 0.09 0.00 -0.03 0.00 -0.67 0.00 0.00 178.83 178.22 2ayy h ARG 728 N 0.00 0.00 -0.00 1.46 3.08 -1.65 -1.09 114.38 116.18 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 0.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.35 2ayy h ARG 728 CO 0.00 0.03 -0.05 0.45 -1.07 0.00 0.00 179.97 179.33 2ayy n SER 729 N -3.31 0.39 0.00 7.04 2.88 -0.33 -4.90 113.62 115.39 2ayy n SER 729 Ca -0.02 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.82 2ayy n SER 729 Cb 0.17 -0.08 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 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 1.20 1.10 3.50 0.46 0.00 -0.41 -5.07 105.19 105.97 2ayy n GLY 730 Ca 0.17 -0.48 -0.35 0.00 0.00 0.00 0.00 46.02 45.36 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 4.33 -0.29 -0.61 1.01 -1.25 -4.63 121.20 117.76 2ayy s ILE 731 Ca 0.00 -0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.21 2ayy s ILE 731 Cb 0.00 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.49 2ayy s ILE 731 CO 0.00 0.40 0.93 0.54 0.00 0.00 0.00 174.94 176.81 2ayy s VAL 732 N 1.08 4.69 -0.10 2.92 0.11 -0.93 -4.43 120.40 123.74 2ayy s VAL 732 Ca 0.04 1.57 -0.17 0.00 -2.93 0.00 0.00 61.98 60.49 2ayy s VAL 732 Cb -0.14 -4.26 -0.05 0.00 -1.53 0.00 0.00 36.38 30.40 2ayy s VAL 732 CO 0.03 -0.29 0.44 -0.69 -3.33 0.00 0.00 175.10 171.25 2ayy s VAL 733 N 3.21 5.17 0.03 2.04 1.01 -1.26 -0.89 120.40 129.71 2ayy s VAL 733 Ca 0.39 0.87 0.05 0.00 0.00 0.00 0.00 61.98 63.29 2ayy s VAL 733 Cb -0.14 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 2ayy s VAL 733 CO 0.12 0.39 -0.14 -0.89 0.00 0.00 0.00 175.10 174.57 2ayy s THR 734 N 0.25 1.11 -0.02 3.92 2.01 0.13 -4.93 115.64 118.12 2ayy s THR 734 Ca 0.24 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 61.02 2ayy s THR 734 Cb -0.15 -0.99 -0.07 0.00 0.01 0.00 0.00 72.50 71.30 2ayy s THR 734 CO 0.10 0.07 1.70 -0.89 -0.69 0.00 0.00 174.62 174.91 2ayy s THR 735 N -0.74 3.40 -0.79 -0.82 2.01 -1.26 -0.94 115.64 116.50 2ayy s THR 735 Ca 0.02 0.56 -0.26 0.00 0.31 0.00 0.00 61.69 62.33 2ayy s THR 735 Cb -0.07 -3.36 0.03 0.00 0.01 0.00 0.00 72.50 69.10 2ayy s THR 735 CO 0.01 -0.04 1.35 -0.47 -0.69 0.00 0.00 174.62 174.78 2ayy s TYR 736 N 3.84 2.29 -2.49 4.92 5.04 -0.05 -4.76 117.35 126.13 2ayy s TYR 736 Ca 0.76 -0.14 0.22 0.00 -2.44 0.00 0.00 57.07 55.46 2ayy s TYR 736 Cb -0.36 -4.61 0.11 0.00 0.35 0.00 0.00 41.96 37.46 2ayy s TYR 736 CO 0.32 -2.06 1.15 0.39 -1.34 0.00 0.00 175.55 174.00 2ayy n GLU 737 N 9.27 1.83 0.00 4.97 1.02 -1.26 -4.65 120.64 131.82 2ayy n GLU 737 Ca 0.10 -1.52 0.00 0.00 -0.02 0.00 0.00 57.16 55.72 2ayy n GLU 737 Cb 0.50 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.48 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayy n GLY 738 N 1.30 0.83 0.00 0.62 0.00 -1.26 -5.16 105.19 101.52 2ayy n GLY 738 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2ayy n GLY 738 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ayy n GLN 739 N 0.00 3.19 -4.38 1.61 3.00 -1.26 -5.09 117.38 114.44 2ayy n GLN 739 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2ayy n GLN 739 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.14 2ayy n GLN 739 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2ayy s GLU 740 N 1.36 2.44 0.47 -1.09 2.02 -1.26 -5.12 118.70 117.52 2ayy s GLU 740 Ca 0.00 -0.81 -0.20 0.00 0.02 0.00 0.00 54.97 53.98 2ayy s GLU 740 Cb 0.00 -2.45 -0.09 0.00 0.10 0.00 0.00 34.13 31.69 2ayy s GLU 740 CO 0.00 0.57 0.99 -2.14 0.02 0.00 0.00 175.26 174.70 2ayy s PRO 741 N -1.70 3.99 -0.01 0.39 0.02 -1.26 -5.09 135.00 131.35 2ayy s PRO 741 Ca 0.19 1.20 0.03 0.00 0.02 0.00 0.00 61.00 62.43 2ayy s PRO 741 Cb -0.11 -2.14 -0.01 0.00 0.02 0.00 0.00 34.50 32.27 2ayy s PRO 741 CO 0.10 -0.25 -0.10 0.99 -0.33 0.00 0.00 177.00 177.42 2ayy s THR 742 N -2.17 0.76 0.11 0.99 2.01 -1.25 -4.91 115.64 111.18 2ayy s THR 742 Ca 0.64 -0.41 0.29 0.00 0.31 0.00 0.00 61.69 62.52 2ayy s THR 742 Cb -0.12 -0.64 0.29 0.00 0.01 0.00 0.00 72.50 72.04 2ayy s THR 742 CO 0.19 0.22 1.89 -0.65 -0.69 0.00 0.00 174.62 175.57 2ayy h PRO 743 N 5.94 0.00 -0.01 4.92 0.11 -1.83 0.11 132.00 141.23 2ayy h PRO 743 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2ayy h PRO 743 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ayy h PRO 743 CO 0.49 0.00 -0.60 0.39 -0.21 0.00 0.00 178.00 178.07 2ayy n GLU 744 N -2.53 1.27 -4.06 1.05 -0.58 -1.26 -2.59 120.64 111.94 2ayy n GLU 744 Ca -0.02 -0.50 -0.32 0.00 -0.42 0.00 0.00 57.16 55.90 2ayy n GLU 744 Cb 0.06 -1.36 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.41 5.71 0.06 1.62 1.01 0.36 -4.46 116.67 118.55 2ayy s ASP 745 Ca 0.12 0.10 0.06 0.00 0.71 0.00 0.00 52.55 53.54 2ayy s ASP 745 Cb 0.15 -1.62 -0.04 0.00 1.01 0.00 0.00 42.92 42.43 2ayy s ASP 745 CO 0.60 0.22 -0.13 0.68 0.21 0.00 0.00 175.17 176.75 2ayy s VAL 746 N -1.31 3.17 -0.57 -1.27 -7.23 -1.14 -1.27 120.40 110.78 2ayy s VAL 746 Ca 0.27 -1.16 -0.16 0.00 -1.81 0.00 0.00 61.98 59.12 2ayy s VAL 746 Cb -0.12 -2.41 0.14 0.00 0.56 0.00 0.00 36.38 34.55 2ayy s VAL 746 CO 0.19 0.25 0.53 -0.22 -0.31 0.00 0.00 175.10 175.53 2ayy s LEU 747 N -1.76 6.23 -0.52 1.32 0.20 -0.61 -1.63 118.68 121.91 2ayy s LEU 747 Ca 0.18 -1.87 -0.24 0.00 0.69 0.00 0.00 54.13 52.89 2ayy s LEU 747 Cb -0.11 -2.21 0.04 0.00 -0.43 0.00 0.00 46.19 43.48 2ayy s LEU 747 CO 0.09 -0.84 0.88 -0.63 -0.29 0.00 0.00 176.35 175.56 2ayy s ILE 748 N 1.48 4.50 0.24 6.68 1.01 0.01 -0.79 121.20 134.32 2ayy s ILE 748 Ca 0.04 0.28 0.10 0.00 0.00 0.00 0.00 60.65 61.08 2ayy s ILE 748 Cb -0.28 -4.46 -0.05 0.00 0.01 0.00 0.00 42.46 37.68 2ayy s ILE 748 CO 0.02 -0.98 -0.19 -0.89 0.00 0.00 0.00 174.94 172.91 2ayy s THR 749 N 3.67 2.18 0.05 2.92 2.01 0.05 -0.70 115.64 125.83 2ayy s THR 749 Ca 0.29 -2.26 -0.04 0.00 0.31 0.00 0.00 61.69 59.99 2ayy s THR 749 Cb -0.13 -2.16 -0.02 0.00 0.01 0.00 0.00 72.50 70.20 2ayy s THR 749 CO 0.20 -0.42 0.05 -0.62 -0.69 0.00 0.00 174.62 173.14 2ayy s ASP 750 N -3.28 0.31 0.38 3.53 2.15 -1.07 -0.80 116.67 117.90 2ayy s ASP 750 Ca 0.25 -0.77 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2ayy s ASP 750 Cb -0.04 0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.81 2ayy s ASP 750 CO 0.11 -0.59 0.00 1.21 -0.17 0.00 0.00 175.17 175.74 2ayy n GLU 751 N 0.34 0.00 -3.81 4.34 2.13 -0.17 -4.35 120.64 119.12 2ayy n GLU 751 Ca -0.16 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.30 2ayy n GLU 751 Cb 0.60 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.19 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 3.17 -0.20 6.31 1.01 -1.26 -4.44 120.40 124.98 2ayy s VAL 752 Ca 0.00 -2.08 0.15 0.00 0.00 0.00 0.00 61.98 60.05 2ayy s VAL 752 Cb 0.00 -3.18 -0.23 0.00 0.00 0.00 0.00 36.38 32.97 2ayy s VAL 752 CO 0.00 -0.67 0.02 1.33 0.00 0.00 0.00 175.10 175.78 2ayy n VAL 753 N 4.56 1.35 -3.70 2.92 0.24 -1.26 -5.01 118.33 117.42 2ayy n VAL 753 Ca -0.02 -0.79 -0.25 0.00 -2.04 0.00 0.00 64.34 61.25 2ayy n VAL 753 Cb 0.41 -0.61 0.05 0.00 -1.47 0.00 0.00 33.84 32.22 2ayy n VAL 753 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ayy n SER 754 N -2.80 -4.19 -4.13 -1.34 7.64 -1.26 -5.00 113.62 102.55 2ayy n SER 754 Ca -0.34 -0.69 -0.25 0.00 1.01 0.00 0.00 58.87 58.60 2ayy n SER 754 Cb 1.11 -4.46 -0.16 0.00 -1.01 0.00 0.00 64.21 59.69 2ayy n SER 754 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ayy s LYS 755 N -6.22 1.63 0.34 1.43 1.02 -1.26 -4.98 119.74 111.70 2ayy s LYS 755 Ca 0.41 -0.58 -0.05 0.00 0.02 0.00 0.00 55.97 55.77 2ayy s LYS 755 Cb -0.20 -1.45 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 2ayy s LYS 755 CO 0.78 0.26 0.62 0.21 -0.92 0.00 0.00 175.35 176.30 2ayy s LYS 756 N -0.03 3.63 -0.09 1.68 2.36 -1.26 -5.00 119.74 121.02 2ayy s LYS 756 Ca -0.02 0.07 -0.00 0.00 -2.55 0.00 0.00 55.97 53.47 2ayy s LYS 756 Cb -0.10 -2.57 0.02 0.00 -1.05 0.00 0.00 37.83 34.13 2ayy s LYS 756 CO 0.01 0.11 -0.05 -0.46 1.55 0.00 0.00 175.35 176.51 2ayy s TRP 757 N -2.25 1.20 -0.82 4.03 -0.11 -1.26 -5.05 118.94 114.68 2ayy s TRP 757 Ca 0.45 -0.53 -0.12 0.00 1.22 0.00 0.00 56.10 57.12 2ayy s TRP 757 Cb -0.10 -1.06 0.22 0.00 -1.50 0.00 0.00 33.47 31.02 2ayy s TRP 757 CO 0.33 -0.43 0.75 -1.14 -4.62 0.00 0.00 176.95 171.84 2ayy s GLN 758 N 1.67 3.51 0.00 5.86 2.00 -1.26 -4.83 119.66 126.61 2ayy s GLN 758 Ca 0.03 -2.53 0.00 0.00 -2.00 0.00 0.00 55.36 50.86 2ayy s GLN 758 Cb -0.13 -4.35 0.00 0.00 0.80 0.00 0.00 33.01 29.34 2ayy s GLN 758 CO -0.06 -1.27 0.00 0.41 -0.50 0.00 0.00 175.29 173.87 2ayy n GLY 759 N 3.81 2.75 0.21 2.59 0.00 -1.26 -3.89 105.19 109.40 2ayy n GLY 759 Ca 0.14 0.04 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 2ayy n GLY 759 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ayy h ARG 760 N 0.00 -0.43 -2.22 1.61 9.65 -0.92 -3.43 114.38 118.64 2ayy h ARG 760 Ca 0.00 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 58.98 2ayy h ARG 760 Cb 0.00 0.10 -0.17 0.00 -1.39 0.00 0.00 29.97 28.51 2ayy h ARG 760 CO 0.00 -0.21 0.44 0.00 2.80 0.00 0.00 179.97 183.00 2ayy s ALA 761 N -3.81 -1.81 -0.27 2.80 0.00 -1.25 -4.87 121.76 112.55 2ayy s ALA 761 Ca -0.09 1.07 -0.03 0.00 0.00 0.00 0.00 51.96 52.92 2ayy s ALA 761 Cb 0.01 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.40 2ayy s ALA 761 CO 0.28 -0.60 -0.02 0.08 0.00 0.00 0.00 175.76 175.49 2ayy s VAL 762 N -2.68 3.08 -0.69 0.00 1.01 -0.99 -1.57 120.40 118.56 2ayy s VAL 762 Ca 0.02 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 2ayy s VAL 762 Cb -0.01 -2.62 0.18 0.00 0.00 0.00 0.00 36.38 33.93 2ayy s VAL 762 CO -0.06 0.10 0.63 -0.69 0.00 0.00 0.00 175.10 175.09 2ayy s VAL 763 N 1.34 5.35 -0.29 2.92 1.01 0.03 -0.47 120.40 130.29 2ayy s VAL 763 Ca -0.01 -2.06 -0.09 0.00 0.00 0.00 0.00 61.98 59.82 2ayy s VAL 763 Cb -0.17 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.82 2ayy s VAL 763 CO -0.02 -0.95 0.14 -0.89 0.00 0.00 0.00 175.10 173.38 2ayy s THR 764 N 0.79 4.69 -0.91 3.92 2.01 -0.81 -0.77 115.64 124.56 2ayy s THR 764 Ca 0.11 -0.23 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 2ayy s THR 764 Cb -0.19 -3.31 0.18 0.00 0.01 0.00 0.00 72.50 69.19 2ayy s THR 764 CO -0.04 0.17 1.00 -0.36 -0.69 0.00 0.00 174.62 174.71 2ayy s PHE 765 N 1.65 3.46 0.47 4.92 0.40 0.02 -1.13 117.98 127.77 2ayy s PHE 765 Ca 0.06 -1.75 0.03 0.00 -0.60 0.00 0.00 56.93 54.66 2ayy s PHE 765 Cb -0.16 -4.07 0.03 0.00 0.51 0.00 0.00 43.02 39.32 2ayy s PHE 765 CO 0.07 -1.25 0.22 0.00 0.70 0.00 0.00 175.22 174.95 2ayy n ARG 767 N -1.42 3.05 -2.34 0.00 5.12 -1.26 -1.88 116.66 117.92 2ayy n ARG 767 Ca -0.09 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.48 2ayy n ARG 767 Cb 0.56 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.82 2ayy n ARG 767 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2ayy s ARG 768 N 0.02 3.22 0.06 5.56 6.06 -1.26 -4.88 118.95 127.73 2ayy s ARG 768 Ca 0.00 -1.16 -0.07 0.00 -2.50 0.00 0.00 55.73 51.99 2ayy s ARG 768 Cb 0.00 -5.31 -0.01 0.00 0.06 0.00 0.00 34.95 29.69 2ayy s ARG 768 CO 0.00 -2.86 0.15 -1.01 -2.50 0.00 0.00 175.30 169.08 2ayy s HIS 769 N 7.23 0.17 -0.11 5.12 3.76 -1.26 -5.16 115.29 125.03 2ayy s HIS 769 Ca 0.58 -0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 54.95 2ayy s HIS 769 Cb -0.01 -0.10 -0.03 0.00 1.11 0.00 0.00 32.58 33.55 2ayy s HIS 769 CO 0.02 -0.45 -0.02 0.42 -0.85 0.00 0.00 174.74 173.85 2ayy s ILE 770 N -3.20 4.09 0.00 0.60 1.01 -1.26 -4.57 121.20 117.87 2ayy s ILE 770 Ca -0.00 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.34 2ayy s ILE 770 Cb 0.02 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.75 2ayy s ILE 770 CO -0.07 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2ayy n GLY 771 N 2.75 1.28 3.67 6.18 0.00 -1.26 -5.01 105.19 112.82 2ayy n GLY 771 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.48 4.70 -0.12 -0.61 1.01 -1.26 -4.68 121.20 119.76 2ayy s ILE 772 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.28 2ayy s ILE 772 Cb 0.00 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.34 2ayy s ILE 772 CO 0.00 0.53 2.06 -2.84 0.00 0.00 0.00 174.94 174.69 2ayy s PRO 773 N -0.17 3.59 -1.34 2.79 0.02 -1.26 -4.89 135.00 133.73 2ayy s PRO 773 Ca 0.07 2.22 -0.06 0.00 0.02 0.00 0.00 61.00 63.25 2ayy s PRO 773 Cb -0.12 -4.26 0.11 0.00 0.02 0.00 0.00 34.50 30.25 2ayy s PRO 773 CO 0.01 -1.58 2.34 1.47 -0.33 0.00 0.00 177.00 178.92 2ayy n LEU 774 N 9.76 7.88 0.00 -5.54 -0.00 -1.26 -4.62 117.00 123.21 2ayy n LEU 774 Ca 0.25 -4.81 0.00 0.00 -0.00 0.00 0.00 56.01 51.45 2ayy n LEU 774 Cb 0.43 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 42.46 2ayy n LEU 774 CO 0.67 1.95 0.00 1.21 -0.00 0.00 0.00 177.39 181.21 2ayy n GLU 775 N 2.23 0.00 -1.27 1.47 2.13 -1.26 -4.80 120.64 119.14 2ayy n GLU 775 Ca 0.60 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 58.33 2ayy n GLU 775 Cb 0.26 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 31.93 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 -1.16 -3.45 5.31 4.76 -1.26 -4.89 118.16 131.47 2ayy n LYS 776 Ca 0.00 0.77 0.01 0.00 -2.87 0.00 0.00 58.31 56.23 2ayy n LYS 776 Cb 0.00 -4.87 -0.03 0.00 -1.84 0.00 0.00 35.03 28.28 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 -2.09 -2.42 -0.55 7.82 0.00 -1.26 -5.11 121.76 118.15 2ayy s ALA 777 Ca 0.00 2.10 -0.30 0.00 0.00 0.00 0.00 51.96 53.76 2ayy s ALA 777 Cb 0.00 -1.99 -0.12 0.00 0.00 0.00 0.00 23.12 21.01 2ayy s ALA 777 CO 0.00 -1.04 2.41 -2.30 0.00 0.00 0.00 175.76 174.83 2ayy n PRO 778 N 5.28 0.87 0.00 0.00 -0.02 -1.26 -1.51 135.00 138.36 2ayy n PRO 778 Ca -0.09 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 2ayy n PRO 778 Cb 0.51 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 6.26 3.66 3.52 -1.23 0.00 -1.26 -5.10 105.19 111.04 2ayy n GLY 779 Ca 0.45 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 3.57 0.06 1.61 -1.05 -0.57 -2.35 118.70 119.97 2ayy s GLU 780 Ca 0.00 -0.51 0.09 0.00 -0.15 0.00 0.00 54.97 54.40 2ayy s GLU 780 Cb 0.00 -2.89 -0.03 0.00 -0.44 0.00 0.00 34.13 30.77 2ayy s GLU 780 CO 0.00 0.30 -0.25 -1.58 0.95 0.00 0.00 175.26 174.68 2ayy s TRP 781 N 0.19 2.21 0.01 4.83 0.52 0.38 -4.02 118.94 123.07 2ayy s TRP 781 Ca -0.02 -0.40 0.00 0.00 0.02 0.00 0.00 56.10 55.70 2ayy s TRP 781 Cb -0.14 -1.30 -0.01 0.00 -1.15 0.00 0.00 33.47 30.87 2ayy s TRP 781 CO 0.03 0.15 -0.01 0.54 0.02 0.00 0.00 176.95 177.68 2ayy s VAL 782 N -0.85 0.06 -0.19 4.03 0.11 -1.26 -1.93 120.40 120.37 2ayy s VAL 782 Ca 0.11 -0.37 -0.22 0.00 -2.93 0.00 0.00 61.98 58.58 2ayy s VAL 782 Cb -0.10 -0.12 0.06 0.00 -1.53 0.00 0.00 36.38 34.69 2ayy s VAL 782 CO 0.03 -0.20 0.59 -2.28 -3.33 0.00 0.00 175.10 169.91 2ayy s HIS 783 N -0.58 -0.63 0.02 1.54 2.46 -0.29 -4.88 115.29 112.93 2ayy s HIS 783 Ca -0.06 1.46 -0.30 0.00 0.47 0.00 0.00 55.06 56.63 2ayy s HIS 783 Cb -0.04 0.24 -0.08 0.00 -0.13 0.00 0.00 32.58 32.57 2ayy s HIS 783 CO -0.00 -0.36 1.83 -1.12 -2.47 0.00 0.00 174.74 172.62 2ayy s SER 784 N 0.02 6.53 -0.86 9.88 0.01 -1.26 -1.49 113.70 126.53 2ayy s SER 784 Ca -0.02 2.53 -0.25 0.00 1.31 0.00 0.00 55.95 59.52 2ayy s SER 784 Cb -0.04 -2.54 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2ayy s SER 784 CO 0.02 -0.99 1.99 0.54 0.41 0.00 0.00 173.24 175.21 2ayy s VAL 785 N 4.02 3.39 -0.05 3.43 0.11 -0.79 -4.55 120.40 125.97 2ayy s VAL 785 Ca 0.82 -0.28 -0.02 0.00 -2.93 0.00 0.00 61.98 59.57 2ayy s VAL 785 Cb -0.40 -3.89 -0.02 0.00 -1.53 0.00 0.00 36.38 30.54 2ayy s VAL 785 CO 0.37 -0.84 -0.05 0.00 -3.33 0.00 0.00 175.10 171.24 2ayy n ALA 786 N 14.36 2.48 -3.26 1.54 0.00 -1.26 -4.99 120.51 129.37 2ayy n ALA 786 Ca 0.39 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.51 2ayy n ALA 786 Cb 0.47 0.43 -0.08 0.00 0.00 0.00 0.00 19.45 20.27 2ayy n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayy s ALA 787 N -2.08 -0.95 0.00 0.00 0.00 -1.26 -5.03 121.76 112.44 2ayy s ALA 787 Ca -0.06 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.35 2ayy s ALA 787 Cb 0.02 0.10 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2ayy s ALA 787 CO 0.09 -0.30 0.71 -2.30 0.00 0.00 0.00 175.76 173.95 2ayy n PRO 788 N 1.11 0.53 -0.08 0.00 -0.02 -1.26 -3.94 135.00 131.34 2ayy n PRO 788 Ca -0.21 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.05 2ayy n PRO 788 Cb 0.57 -1.23 -0.12 0.00 -0.02 0.00 0.00 33.50 32.69 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 1.06 0.90 0.24 6.00 -0.00 -1.26 -4.48 115.22 117.68 2ayy n HIS 789 Ca 0.00 0.31 0.11 0.00 0.46 0.00 0.00 57.72 58.60 2ayy n HIS 789 Cb 0.27 -1.10 -0.04 0.00 -0.12 0.00 0.00 29.99 29.00 2ayy n HIS 789 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2ayy n GLU 790 N -4.05 0.51 0.17 1.57 0.00 -1.25 -4.44 120.64 113.14 2ayy n GLU 790 Ca -0.36 -0.01 -0.14 0.00 0.00 0.00 0.00 57.16 56.65 2ayy n GLU 790 Cb 0.84 -1.66 -0.08 0.00 0.00 0.00 0.00 31.44 30.54 2ayy n GLU 790 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ayy h LEU 791 N 0.00 -0.33 -1.01 -1.84 5.85 -1.80 -1.15 115.31 115.03 2ayy h LEU 791 Ca 0.00 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.60 2ayy h LEU 791 Cb 0.90 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2ayy h LEU 791 CO 0.00 -0.11 0.28 -0.65 -0.34 0.00 0.00 178.44 177.61 2ayy h PRO 792 N -0.54 0.99 -0.61 5.25 0.11 -1.81 -1.01 132.00 134.37 2ayy h PRO 792 Ca -0.04 -0.16 -0.10 0.00 0.11 0.00 0.00 66.00 65.81 2ayy h PRO 792 Cb 0.40 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 2ayy h PRO 792 CO 0.07 0.80 0.00 0.00 -0.21 0.00 0.00 178.00 178.66 2ayy h ALA 793 N 1.33 0.82 -0.26 -0.75 0.00 -1.76 -1.54 119.26 117.10 2ayy h ALA 793 Ca 0.23 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2ayy h ALA 793 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2ayy h ALA 793 CO -0.02 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.21 2ayy h LEU 794 N 0.98 0.40 -0.35 0.00 5.85 -0.72 -0.91 115.31 120.56 2ayy h LEU 794 Ca 0.17 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.69 2ayy h LEU 794 Cb 0.56 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2ayy h LEU 794 CO 0.03 0.51 0.18 0.25 -0.34 0.00 0.00 178.44 179.08 2ayy h LEU 795 N 0.26 0.28 -0.49 2.25 7.12 -1.08 -1.46 115.31 122.18 2ayy h LEU 795 Ca 0.08 0.01 0.04 0.00 0.13 0.00 0.00 57.88 58.14 2ayy h LEU 795 Cb 0.27 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.32 2ayy h LEU 795 CO -0.00 0.20 0.26 0.00 -0.13 0.00 0.00 178.44 178.78 2ayy h ALA 796 N 1.17 0.63 -0.77 1.25 0.00 -1.17 -2.52 119.26 117.84 2ayy h ALA 796 Ca 0.14 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2ayy h ALA 796 Cb 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 2ayy h ALA 796 CO -0.09 -0.07 0.48 -0.09 0.00 0.00 0.00 179.25 179.48 2ayy h ARG 797 N 0.52 0.89 -0.82 0.00 2.43 -0.52 0.64 114.38 117.52 2ayy h ARG 797 Ca 0.21 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 2ayy h ARG 797 Cb 0.09 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 2ayy h ARG 797 CO -0.13 0.59 0.41 0.82 -1.51 0.00 0.00 179.97 180.15 2ayy h ILE 798 N 0.92 1.25 -0.42 1.20 2.04 -0.94 -2.22 117.51 119.33 2ayy h ILE 798 Ca 0.32 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2ayy h ILE 798 Cb 0.06 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 2ayy h ILE 798 CO -0.13 0.29 0.00 -1.22 0.00 0.00 0.00 178.15 177.09 2ayy n TYR 799 N -4.32 1.21 -2.84 1.37 4.01 -0.63 -4.90 117.16 111.07 2ayy n TYR 799 Ca 0.08 -0.45 -0.12 0.00 -0.16 0.00 0.00 57.90 57.25 2ayy n TYR 799 Cb 0.13 -0.27 0.03 0.00 -0.31 0.00 0.00 39.34 38.91 2ayy n TYR 799 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2ayy n LEU 800 N 0.58 -2.40 -4.39 7.72 4.77 -0.54 -5.04 117.00 117.70 2ayy n LEU 800 Ca 0.18 -0.21 -0.30 0.00 -0.03 0.00 0.00 56.01 55.66 2ayy n LEU 800 Cb 0.76 -1.83 -0.14 0.00 -2.33 0.00 0.00 43.42 39.88 2ayy n LEU 800 CO 0.19 0.22 -0.55 -0.63 -1.33 0.00 0.00 177.39 175.29 2ayy s ILE 801 N -3.00 2.32 -0.24 -0.08 1.01 0.21 -4.98 121.20 116.45 2ayy s ILE 801 Ca 0.23 -1.48 -0.09 0.00 0.00 0.00 0.00 60.65 59.30 2ayy s ILE 801 Cb -0.10 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2ayy s ILE 801 CO 0.28 0.26 0.12 -0.70 0.00 0.00 0.00 174.94 174.90 2ayy s GLU 802 N -1.59 3.92 0.47 2.79 2.56 -1.26 -2.70 118.70 122.88 2ayy s GLU 802 Ca 0.13 -0.35 0.06 0.00 0.00 0.00 0.00 54.97 54.81 2ayy s GLU 802 Cb -0.10 -3.43 -0.02 0.00 2.00 0.00 0.00 34.13 32.58 2ayy s GLU 802 CO 0.04 0.00 0.20 -1.64 -0.56 0.00 0.00 175.26 173.30 2ayy s MET 803 N 1.17 2.22 -0.12 4.30 -1.94 -1.26 -5.05 119.30 118.62 2ayy s MET 803 Ca 0.06 -2.01 -0.29 0.00 -1.71 0.00 0.00 55.69 51.74 2ayy s MET 803 Cb -0.14 -1.91 -0.07 0.00 2.01 0.00 0.00 34.83 34.72 2ayy s MET 803 CO 0.05 -0.29 2.13 -1.21 -0.01 0.00 0.00 175.02 175.68 2ayy s GLU 804 N -3.99 3.51 -0.41 2.03 8.01 -1.26 -4.83 118.70 121.76 2ayy s GLU 804 Ca 0.32 2.26 0.05 0.00 0.01 0.00 0.00 54.97 57.61 2ayy s GLU 804 Cb 0.02 -4.30 0.62 0.00 -4.31 0.00 0.00 34.13 26.16 2ayy s GLU 804 CO 0.18 -1.67 1.79 0.43 0.01 0.00 0.00 175.26 175.99 2ayy n SER 805 N 10.13 3.42 -4.75 -0.19 7.64 -1.26 -4.83 113.62 123.78 2ayy n SER 805 Ca 0.26 -3.67 -0.41 0.00 1.01 0.00 0.00 58.87 56.07 2ayy n SER 805 Cb 0.43 -0.78 -0.04 0.00 -1.01 0.00 0.00 64.21 62.81 2ayy n SER 805 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayy s ASP 806 N -1.68 7.31 -0.03 6.43 -1.08 -1.26 -5.05 116.67 121.31 2ayy s ASP 806 Ca 0.54 2.14 -0.01 0.00 -0.52 0.00 0.00 52.55 54.70 2ayy s ASP 806 Cb 0.46 -2.61 0.03 0.00 -1.46 0.00 0.00 42.92 39.34 2ayy s ASP 806 CO 0.07 -0.15 0.03 1.51 0.52 0.00 0.00 175.17 177.16 2ayy s ASP 807 N -0.53 0.49 -0.83 -0.34 1.47 -1.26 -5.05 116.67 110.63 2ayy s ASP 807 Ca 0.46 0.04 -0.01 0.00 1.18 0.00 0.00 52.55 54.22 2ayy s ASP 807 Cb -0.30 -0.13 0.35 0.00 -0.34 0.00 0.00 42.92 42.50 2ayy s ASP 807 CO 0.37 -0.16 1.83 -0.81 0.68 0.00 0.00 175.17 177.08 2ayy n PRO 808 N 4.54 3.44 -1.89 2.11 -0.04 -1.26 -5.04 135.00 136.85 2ayy n PRO 808 Ca -0.20 -3.94 -0.42 0.00 -0.04 0.00 0.00 63.50 58.90 2ayy n PRO 808 Cb 0.50 -2.31 -0.03 0.00 -0.04 0.00 0.00 33.50 31.62 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayy s ALA 809 N -4.05 3.77 -0.18 0.55 0.00 -1.26 -4.99 121.76 115.60 2ayy s ALA 809 Ca 0.49 1.36 -0.04 0.00 0.00 0.00 0.00 51.96 53.76 2ayy s ALA 809 Cb 0.37 -3.66 0.09 0.00 0.00 0.00 0.00 23.12 19.92 2ayy s ALA 809 CO -0.32 -0.92 0.29 1.21 0.00 0.00 0.00 175.76 176.02 2ayy s ASN 810 N 1.64 0.56 -0.21 0.00 3.84 -1.26 -5.13 114.94 114.37 2ayy s ASN 810 Ca 0.73 0.33 0.02 0.00 0.21 0.00 0.00 52.86 54.14 2ayy s ASN 810 Cb -0.43 0.76 0.03 0.00 -0.55 0.00 0.00 41.25 41.06 2ayy s ASN 810 CO 0.32 -0.28 -0.16 0.00 -2.79 0.00 0.00 177.10 174.19 2ayy s ALA 811 N 2.44 2.43 -0.27 1.71 0.00 -1.26 -5.10 121.76 121.71 2ayy s ALA 811 Ca 0.05 -1.42 -0.05 0.00 0.00 0.00 0.00 51.96 50.54 2ayy s ALA 811 Cb -0.14 -1.34 0.01 0.00 0.00 0.00 0.00 23.12 21.65 2ayy s ALA 811 CO -0.11 -0.67 0.02 -1.17 0.00 0.00 0.00 175.76 173.83 2ayy s LEU 812 N 1.22 3.47 0.21 0.00 2.96 -1.26 -5.09 118.68 120.19 2ayy s LEU 812 Ca -0.00 -0.64 -0.30 0.00 -0.22 0.00 0.00 54.13 52.97 2ayy s LEU 812 Cb -0.16 -1.81 -0.08 0.00 0.50 0.00 0.00 46.19 44.65 2ayy s LEU 812 CO -0.10 -0.13 1.03 -2.84 -1.32 0.00 0.00 176.35 172.99 2ayy s PRO 813 N 1.46 4.70 -0.31 0.98 0.02 -1.26 -5.04 135.00 135.56 2ayy s PRO 813 Ca 0.03 1.63 -0.11 0.00 0.02 0.00 0.00 61.00 62.57 2ayy s PRO 813 Cb -0.16 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.06 2ayy s PRO 813 CO -0.00 0.26 0.18 -1.12 -0.33 0.00 0.00 177.00 176.00 2ayy s SER 814 N -0.61 5.79 -0.12 2.53 0.01 -1.26 -5.08 113.70 114.95 2ayy s SER 814 Ca 0.45 -0.34 -0.06 0.00 1.31 0.00 0.00 55.95 57.32 2ayy s SER 814 Cb -0.28 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 63.84 2ayy s SER 814 CO 0.35 -0.16 0.09 -0.89 0.41 0.00 0.00 173.24 173.04 2ayy s THR 815 N 1.68 5.09 0.00 1.44 2.01 -1.26 -5.37 115.64 119.23 2ayy s THR 815 Ca 0.06 0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2ayy s THR 815 Cb -0.17 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.13 2ayy s THR 815 CO 0.09 0.59 0.21 -0.67 -0.69 0.00 0.00 174.62 174.15