#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 -0.99 3.77 3.03 0.00 -1.26 -5.16 105.19 104.58 2ayy n GLY 697 Ca 0.00 0.93 -0.36 0.00 0.00 0.00 0.00 46.02 46.59 2ayy n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ayy s GLY 698 N 0.00 2.75 0.09 -0.02 0.00 -1.26 -5.05 107.32 103.83 2ayy s GLY 698 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 44.72 45.74 2ayy s GLY 698 CO 0.00 1.38 -0.15 -0.56 0.00 0.00 0.00 173.10 173.77 2ayy s SER 699 N -1.46 1.96 0.00 1.64 0.01 -1.26 -5.13 113.70 109.46 2ayy s SER 699 Ca 0.69 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2ayy s SER 699 Cb -0.29 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 65.87 2ayy s SER 699 CO 0.34 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.52 2ayy n GLY 700 N 0.99 4.56 3.20 3.44 0.00 -1.26 -5.17 105.19 110.96 2ayy n GLY 700 Ca -0.19 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.72 0.77 0.08 1.61 0.11 -1.26 -5.16 120.40 114.83 2ayy s VAL 701 Ca 0.00 -1.97 0.04 0.00 -2.93 0.00 0.00 61.98 57.12 2ayy s VAL 701 Cb 0.00 -1.84 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 2ayy s VAL 701 CO 0.00 -0.74 -0.00 -1.61 -3.33 0.00 0.00 175.10 169.42 2ayy s GLU 702 N -3.84 2.57 -0.14 1.54 8.01 -1.26 -5.12 118.70 120.46 2ayy s GLU 702 Ca 0.16 -0.81 -0.11 0.00 0.01 0.00 0.00 54.97 54.22 2ayy s GLU 702 Cb 0.05 -2.55 0.04 0.00 -4.31 0.00 0.00 34.13 27.36 2ayy s GLU 702 CO -0.01 0.55 0.36 0.20 0.01 0.00 0.00 175.26 176.37 2ayy s GLY 703 N -2.20 -0.27 -0.03 -1.39 0.00 -1.26 -5.16 107.32 97.02 2ayy s GLY 703 Ca 0.25 1.10 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2ayy s GLY 703 CO 0.17 1.04 -0.00 1.08 0.00 0.00 0.00 173.10 175.39 2ayy s LEU 704 N 0.48 1.28 0.08 0.66 1.43 -1.26 -5.15 118.68 116.20 2ayy s LEU 704 Ca -0.02 -0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.04 2ayy s LEU 704 Cb -0.04 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.93 2ayy s LEU 704 CO -0.03 -0.08 -0.02 -0.44 0.23 0.00 0.00 176.35 176.02 2ayy s SER 705 N 0.87 0.61 0.14 2.29 0.01 -1.26 -5.17 113.70 111.20 2ayy s SER 705 Ca -0.09 -1.06 -0.16 0.00 1.31 0.00 0.00 55.95 55.96 2ayy s SER 705 Cb -0.12 0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.34 2ayy s SER 705 CO -0.01 -0.60 0.42 -0.83 0.41 0.00 0.00 173.24 172.62 2ayy s GLY 706 N -2.98 -0.18 0.16 3.44 0.00 -1.26 -5.13 107.32 101.37 2ayy s GLY 706 Ca 0.12 -0.15 -0.32 0.00 0.00 0.00 0.00 44.72 44.38 2ayy s GLY 706 CO -0.06 -0.34 1.73 0.54 0.00 0.00 0.00 173.10 174.97 2ayy s LYS 707 N -3.83 4.15 0.12 2.90 1.02 -1.26 -4.79 119.74 118.05 2ayy s LYS 707 Ca 0.05 2.54 -0.01 0.00 0.02 0.00 0.00 55.97 58.58 2ayy s LYS 707 Cb 0.01 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2ayy s LYS 707 CO -0.09 -0.76 0.30 1.03 -0.92 0.00 0.00 175.35 174.91 2ayy s ARG 708 N 1.78 3.50 -0.04 1.68 0.52 -1.26 -1.50 118.95 123.63 2ayy s ARG 708 Ca 0.76 -0.37 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 2ayy s ARG 708 Cb -0.47 -2.94 0.03 0.00 0.52 0.00 0.00 34.95 32.09 2ayy s ARG 708 CO 0.33 0.52 -0.00 0.00 0.02 0.00 0.00 175.30 176.17 2ayy s TRP 710 N 1.15 3.18 -0.05 0.00 0.52 -1.01 -0.78 118.94 121.95 2ayy s TRP 710 Ca -0.08 -0.11 0.04 0.00 0.02 0.00 0.00 56.10 55.97 2ayy s TRP 710 Cb -0.13 -2.19 -0.00 0.00 -1.15 0.00 0.00 33.47 30.00 2ayy s TRP 710 CO -0.02 -0.09 -0.16 -0.48 0.02 0.00 0.00 176.95 176.22 2ayy s LEU 711 N 1.07 1.88 -0.56 2.99 2.34 -0.16 -0.85 118.68 125.38 2ayy s LEU 711 Ca 0.05 -0.34 0.06 0.00 0.06 0.00 0.00 54.13 53.96 2ayy s LEU 711 Cb -0.14 -0.93 0.24 0.00 -0.56 0.00 0.00 46.19 44.80 2ayy s LEU 711 CO 0.03 0.13 0.65 0.00 -1.06 0.00 0.00 176.35 176.11 2ayy n ALA 712 N 3.23 3.50 -2.77 1.48 0.00 0.26 -1.04 120.51 125.18 2ayy n ALA 712 Ca -0.19 -4.30 -0.36 0.00 0.00 0.00 0.00 53.44 48.60 2ayy n ALA 712 Cb 0.53 -0.88 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 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 -1.94 5.41 0.10 0.00 1.01 -1.26 -2.37 120.40 121.35 2ayy s VAL 713 Ca 0.37 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 2ayy s VAL 713 Cb 0.14 -3.48 -0.23 0.00 0.00 0.00 0.00 36.38 32.80 2ayy s VAL 713 CO -0.06 0.50 1.23 0.03 0.00 0.00 0.00 175.10 176.80 2ayy h ARG 714 N 5.95 0.31 -5.67 2.72 3.08 -1.96 -3.41 114.38 115.40 2ayy h ARG 714 Ca -0.47 -0.42 -0.62 0.00 0.07 0.00 0.00 59.98 58.54 2ayy h ARG 714 Cb 1.18 0.14 -0.13 0.00 0.08 0.00 0.00 29.97 31.25 2ayy h ARG 714 CO 0.69 1.15 0.98 1.21 -1.07 0.00 0.00 179.97 182.93 2ayy s ASN 715 N -7.10 6.39 0.32 7.04 3.84 -1.26 -4.87 114.94 119.31 2ayy s ASN 715 Ca -0.04 -1.32 0.05 0.00 0.21 0.00 0.00 52.86 51.75 2ayy s ASN 715 Cb 0.08 -2.48 0.67 0.00 -0.55 0.00 0.00 41.25 38.97 2ayy s ASN 715 CO 0.87 -1.42 1.88 0.00 -2.79 0.00 0.00 177.10 175.63 2ayy h ALA 716 N 9.51 1.66 -0.03 1.71 0.00 -1.99 0.22 119.26 130.33 2ayy h ALA 716 Ca -0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2ayy h ALA 716 Cb 1.04 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 2ayy h ALA 716 CO 1.25 0.14 0.02 0.66 0.00 0.00 0.00 179.25 181.31 2ayy h SER 717 N 0.86 0.04 -0.00 0.00 4.64 -1.97 -0.11 113.55 117.00 2ayy h SER 717 Ca 0.44 -0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.69 2ayy h SER 717 Cb 0.49 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.56 2ayy h SER 717 CO -0.20 0.11 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.74 2ayy h LEU 718 N -0.03 -0.16 -0.71 5.97 3.38 -1.75 -2.77 115.31 119.23 2ayy h LEU 718 Ca 0.01 0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2ayy h LEU 718 Cb 0.08 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2ayy h LEU 718 CO -0.00 -0.09 0.47 0.00 0.09 0.00 0.00 178.44 178.91 2ayy h GLN 720 N 0.95 0.74 0.54 0.00 5.75 -0.92 -0.55 115.11 121.62 2ayy h GLN 720 Ca 0.26 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.69 2ayy h GLN 720 Cb -0.10 -0.17 -0.00 0.00 1.07 0.00 0.00 27.48 28.28 2ayy h GLN 720 CO -0.06 0.49 -0.30 0.35 -2.65 0.00 0.00 178.83 176.65 2ayy h PHE 721 N 0.76 -0.79 -0.41 3.99 3.57 -1.12 -1.24 116.94 121.70 2ayy h PHE 721 Ca 0.22 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.59 2ayy h PHE 721 Cb -0.05 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.96 2ayy h PHE 721 CO -0.04 -0.47 -0.23 1.37 -2.23 0.00 0.00 178.31 176.71 2ayy h LEU 722 N -0.79 0.90 -0.89 0.59 8.10 -1.42 -2.38 115.31 119.42 2ayy h LEU 722 Ca -0.07 -0.42 -0.08 0.00 0.11 0.00 0.00 57.88 57.43 2ayy h LEU 722 Cb 0.63 -0.25 -0.02 0.00 -0.44 0.00 0.00 40.66 40.58 2ayy h LEU 722 CO 0.09 1.12 -0.03 1.05 -4.11 0.00 0.00 178.44 176.55 2ayy h GLU 723 N 0.68 0.78 -0.31 0.17 4.11 -1.06 -0.91 114.58 118.04 2ayy h GLU 723 Ca 0.09 -0.22 -0.13 0.00 0.07 0.00 0.00 59.36 59.16 2ayy h GLU 723 Cb 0.80 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.96 2ayy h GLU 723 CO 0.07 0.81 -0.32 1.15 0.07 0.00 0.00 179.01 180.79 2ayy h THR 724 N 0.72 1.29 -0.57 -1.06 2.02 -1.19 -1.81 112.91 112.32 2ayy h THR 724 Ca 0.14 -1.49 0.01 0.00 0.77 0.00 0.00 66.41 65.84 2ayy h THR 724 Cb 0.49 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.41 2ayy h THR 724 CO 0.02 0.48 0.37 0.28 0.37 0.00 0.00 175.52 177.04 2ayy h SER 725 N 0.53 0.62 0.15 4.18 0.02 -1.05 -2.05 113.55 115.95 2ayy h SER 725 Ca 0.05 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 2ayy h SER 725 Cb 0.90 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 2ayy h SER 725 CO 0.08 0.44 -0.41 0.25 -1.14 0.00 0.00 176.83 176.06 2ayy h LEU 726 N 0.74 0.35 -1.30 5.07 5.85 -1.15 -2.75 115.31 122.12 2ayy h LEU 726 Ca 0.22 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.76 2ayy h LEU 726 Cb -0.05 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2ayy h LEU 726 CO -0.06 0.72 -0.14 1.56 -0.34 0.00 0.00 178.44 180.17 2ayy h GLN 727 N 0.28 0.00 0.00 1.25 4.20 -0.78 -1.82 115.11 118.23 2ayy h GLN 727 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2ayy h GLN 727 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 2ayy h GLN 727 CO 0.07 0.14 0.00 0.00 -0.67 0.00 0.00 178.83 178.37 2ayy h ARG 728 N 0.00 0.00 0.09 1.46 2.47 -1.07 -1.69 114.38 115.64 2ayy h ARG 728 Ca -0.00 0.00 -0.26 0.00 -1.26 0.00 0.00 59.98 58.46 2ayy h ARG 728 Cb 0.63 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2ayy h ARG 728 CO 0.02 0.00 -1.19 1.03 0.56 0.00 0.00 179.97 180.38 2ayy h SER 729 N 0.00 0.31 0.00 7.04 0.87 -1.44 -3.48 113.55 116.85 2ayy h SER 729 Ca 0.00 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2ayy h SER 729 Cb 0.26 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 2ayy h SER 729 CO 0.00 1.27 0.00 0.61 -0.53 0.00 0.00 176.83 178.18 2ayy n GLY 730 N 1.49 1.44 3.87 5.77 0.00 -0.64 -5.14 105.19 112.00 2ayy n GLY 730 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.60 5.30 -0.24 -0.61 1.01 -1.24 -4.59 121.20 119.23 2ayy s ILE 731 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 60.65 60.87 2ayy s ILE 731 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 2ayy s ILE 731 CO 0.00 0.49 0.23 0.54 0.00 0.00 0.00 174.94 176.20 2ayy s VAL 732 N -1.16 5.30 0.17 2.92 0.11 -0.56 -4.23 120.40 122.95 2ayy s VAL 732 Ca 0.23 0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 59.48 2ayy s VAL 732 Cb -0.14 -3.56 -0.07 0.00 -1.53 0.00 0.00 36.38 31.08 2ayy s VAL 732 CO 0.12 0.29 0.51 0.68 -3.33 0.00 0.00 175.10 173.37 2ayy s VAL 733 N 1.33 4.95 -0.06 2.04 -7.23 -1.26 -1.67 120.40 118.50 2ayy s VAL 733 Ca 0.10 0.54 -0.05 0.00 -1.81 0.00 0.00 61.98 60.76 2ayy s VAL 733 Cb -0.14 -3.66 0.02 0.00 0.56 0.00 0.00 36.38 33.16 2ayy s VAL 733 CO 0.07 0.09 0.16 -0.89 -0.31 0.00 0.00 175.10 174.21 2ayy s THR 734 N -1.63 -0.01 -0.10 5.32 2.01 0.04 -4.90 115.64 116.37 2ayy s THR 734 Ca 0.42 0.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.14 2ayy s THR 734 Cb -0.13 -0.23 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 2ayy s THR 734 CO 0.20 0.01 1.23 -0.89 -0.69 0.00 0.00 174.62 174.49 2ayy s THR 735 N 0.23 4.25 -0.41 -0.82 2.01 -1.26 -0.99 115.64 118.65 2ayy s THR 735 Ca -0.01 1.55 -0.28 0.00 0.31 0.00 0.00 61.69 63.26 2ayy s THR 735 Cb -0.02 -4.00 0.02 0.00 0.01 0.00 0.00 72.50 68.51 2ayy s THR 735 CO -0.01 -0.06 1.06 -0.47 -0.69 0.00 0.00 174.62 174.45 2ayy s TYR 736 N 2.80 2.98 -0.05 4.92 5.04 -0.21 -4.82 117.35 128.01 2ayy s TYR 736 Ca 0.56 0.83 0.07 0.00 -2.44 0.00 0.00 57.07 56.08 2ayy s TYR 736 Cb -0.23 -4.02 0.10 0.00 0.35 0.00 0.00 41.96 38.16 2ayy s TYR 736 CO 0.19 -1.02 0.99 -0.85 -1.34 0.00 0.00 175.55 173.52 2ayy n GLU 737 N 7.28 1.62 0.00 4.97 0.28 -1.26 -4.62 120.64 128.90 2ayy n GLU 737 Ca 0.10 -1.70 0.00 0.00 -0.16 0.00 0.00 57.16 55.41 2ayy n GLU 737 Cb 0.48 -1.05 0.00 0.00 1.43 0.00 0.00 31.44 32.30 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ayy n GLY 738 N -0.71 0.83 0.00 -1.84 0.00 -1.26 -5.13 105.19 97.07 2ayy n GLY 738 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 -4.05 1.61 3.00 -1.26 -5.05 117.38 111.63 2ayy n GLN 739 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 2ayy n GLN 739 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 30.24 30.09 2ayy n GLN 739 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2ayy s GLU 740 N 1.62 2.92 0.02 -1.09 -1.05 -1.26 -5.09 118.70 114.78 2ayy s GLU 740 Ca 0.00 -0.89 -0.30 0.00 -0.15 0.00 0.00 54.97 53.62 2ayy s GLU 740 Cb 0.00 -2.75 -0.07 0.00 -0.44 0.00 0.00 34.13 30.87 2ayy s GLU 740 CO 0.00 -0.29 1.59 -2.14 0.95 0.00 0.00 175.26 175.37 2ayy s PRO 741 N 1.30 4.21 -0.08 -4.83 0.02 -1.26 -5.02 135.00 129.35 2ayy s PRO 741 Ca 0.02 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.28 2ayy s PRO 741 Cb -0.15 -3.68 -0.02 0.00 0.02 0.00 0.00 34.50 30.67 2ayy s PRO 741 CO -0.09 -0.72 -0.13 0.99 -0.33 0.00 0.00 177.00 176.72 2ayy s THR 742 N 2.90 3.15 0.05 0.99 2.01 -1.26 -4.89 115.64 118.59 2ayy s THR 742 Ca 0.71 -0.67 0.31 0.00 0.31 0.00 0.00 61.69 62.35 2ayy s THR 742 Cb -0.36 -2.27 0.32 0.00 0.01 0.00 0.00 72.50 70.19 2ayy s THR 742 CO 0.30 0.57 1.93 1.55 -0.69 0.00 0.00 174.62 178.28 2ayy h PRO 743 N 5.78 0.00 0.00 4.92 0.13 -1.84 -1.45 132.00 139.54 2ayy h PRO 743 Ca -0.40 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.66 2ayy h PRO 743 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2ayy h PRO 743 CO 0.52 0.00 -1.61 0.39 -0.23 0.00 0.00 178.00 177.08 2ayy n GLU 744 N -2.62 0.64 -3.32 0.86 1.02 -1.26 -1.95 120.64 114.02 2ayy n GLU 744 Ca -0.01 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.87 2ayy n GLU 744 Cb 0.12 -1.67 -0.02 0.00 -0.02 0.00 0.00 31.44 29.84 2ayy n GLU 744 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ayy s ASP 745 N -5.13 6.36 0.09 1.62 1.01 -0.55 -4.69 116.67 115.39 2ayy s ASP 745 Ca -0.05 0.60 0.08 0.00 0.71 0.00 0.00 52.55 53.90 2ayy s ASP 745 Cb 0.11 -2.10 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 2ayy s ASP 745 CO 0.84 -0.26 -0.19 0.68 0.21 0.00 0.00 175.17 176.46 2ayy s VAL 746 N -2.22 2.79 -0.41 -1.27 -7.23 -1.26 -1.89 120.40 108.92 2ayy s VAL 746 Ca 0.42 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 59.04 2ayy s VAL 746 Cb -0.10 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.63 2ayy s VAL 746 CO 0.34 0.18 0.29 -0.22 -0.31 0.00 0.00 175.10 175.37 2ayy s LEU 747 N -1.91 5.09 -0.39 1.32 0.20 -0.14 -2.41 118.68 120.44 2ayy s LEU 747 Ca 0.17 -1.02 -0.15 0.00 0.69 0.00 0.00 54.13 53.81 2ayy s LEU 747 Cb -0.11 -2.12 0.01 0.00 -0.43 0.00 0.00 46.19 43.55 2ayy s LEU 747 CO 0.08 -0.47 0.33 -0.63 -0.29 0.00 0.00 176.35 175.37 2ayy s ILE 748 N 1.63 5.22 0.18 6.68 1.01 -0.03 -0.66 121.20 135.23 2ayy s ILE 748 Ca 0.04 -0.45 0.11 0.00 0.00 0.00 0.00 60.65 60.35 2ayy s ILE 748 Cb -0.20 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.32 2ayy s ILE 748 CO 0.08 -0.26 -0.24 0.42 0.00 0.00 0.00 174.94 174.94 2ayy s THR 749 N 1.82 2.29 0.15 2.92 -4.23 0.17 -0.57 115.64 118.19 2ayy s THR 749 Ca 0.07 -1.97 0.10 0.00 -1.18 0.00 0.00 61.69 58.71 2ayy s THR 749 Cb -0.18 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 2ayy s THR 749 CO 0.11 -0.09 -0.22 -0.62 -0.54 0.00 0.00 174.62 173.26 2ayy s ASP 750 N -2.54 2.94 0.60 3.99 2.15 -1.00 -1.38 116.67 121.44 2ayy s ASP 750 Ca 0.19 -0.81 0.00 0.00 0.43 0.00 0.00 52.55 52.36 2ayy s ASP 750 Cb -0.08 -0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.35 2ayy s ASP 750 CO 0.09 0.06 0.00 1.21 -0.17 0.00 0.00 175.17 176.36 2ayy n GLU 751 N 0.56 0.00 -3.34 4.34 0.00 -0.33 -4.57 120.64 117.30 2ayy n GLU 751 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.63 2ayy n GLU 751 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.93 2ayy n GLU 751 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2ayy s VAL 752 N 0.00 5.18 0.20 6.31 1.01 -1.26 -4.26 120.40 127.58 2ayy s VAL 752 Ca 0.00 0.83 0.04 0.00 0.00 0.00 0.00 61.98 62.85 2ayy s VAL 752 Cb 0.00 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 2ayy s VAL 752 CO 0.00 0.26 -0.05 -0.69 0.00 0.00 0.00 175.10 174.63 2ayy s VAL 753 N 1.13 1.14 -0.03 2.92 1.01 -1.26 -5.05 120.40 120.26 2ayy s VAL 753 Ca 0.22 -2.06 0.04 0.00 0.00 0.00 0.00 61.98 60.18 2ayy s VAL 753 Cb -0.15 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.12 2ayy s VAL 753 CO 0.09 -0.48 1.03 -1.20 0.00 0.00 0.00 175.10 174.54 2ayy n SER 754 N -0.35 0.47 -4.51 3.32 7.64 -1.26 -1.91 113.62 117.02 2ayy n SER 754 Ca -0.07 -2.21 -0.37 0.00 1.01 0.00 0.00 58.87 57.23 2ayy n SER 754 Cb 0.63 -0.24 -0.12 0.00 -1.01 0.00 0.00 64.21 63.46 2ayy n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayy s LYS 755 N -0.57 3.78 -0.22 1.43 2.47 -1.26 -4.86 119.74 120.51 2ayy s LYS 755 Ca 0.06 -0.41 -0.20 0.00 -1.56 0.00 0.00 55.97 53.86 2ayy s LYS 755 Cb 0.06 -3.45 -0.02 0.00 -1.46 0.00 0.00 37.83 32.95 2ayy s LYS 755 CO 0.01 -0.18 0.60 0.15 0.16 0.00 0.00 175.35 176.09 2ayy s LYS 756 N 1.65 4.17 -0.11 4.03 -0.14 -1.26 -5.02 119.74 123.07 2ayy s LYS 756 Ca 0.07 0.55 -0.28 0.00 -1.36 0.00 0.00 55.97 54.94 2ayy s LYS 756 Cb -0.15 -3.60 -0.02 0.00 -1.68 0.00 0.00 37.83 32.38 2ayy s LYS 756 CO 0.06 -0.28 0.93 -0.46 -0.76 0.00 0.00 175.35 174.85 2ayy s TRP 757 N 2.04 3.51 -0.88 3.18 -0.11 -1.26 -5.00 118.94 120.43 2ayy s TRP 757 Ca 0.27 1.49 -0.07 0.00 1.22 0.00 0.00 56.10 59.00 2ayy s TRP 757 Cb -0.16 -3.10 0.22 0.00 -1.50 0.00 0.00 33.47 28.94 2ayy s TRP 757 CO 0.10 -0.18 0.79 -0.65 -4.62 0.00 0.00 176.95 172.39 2ayy s GLN 758 N 1.82 3.45 0.00 5.86 1.11 -1.26 -4.89 119.66 125.75 2ayy s GLN 758 Ca 0.45 -2.90 0.00 0.00 0.01 0.00 0.00 55.36 52.92 2ayy s GLN 758 Cb -0.18 -4.18 0.00 0.00 -1.01 0.00 0.00 33.01 27.64 2ayy s GLN 758 CO 0.18 -1.25 0.00 0.41 0.01 0.00 0.00 175.29 174.64 2ayy n GLY 759 N 3.08 2.37 0.00 3.09 0.00 -1.26 -4.33 105.19 108.15 2ayy n GLY 759 Ca 0.17 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 -4.12 1.61 3.00 -0.79 -4.70 116.66 111.66 2ayy n ARG 760 Ca 0.00 0.09 -0.10 0.00 -0.00 0.00 0.00 57.85 57.84 2ayy n ARG 760 Cb 0.00 -0.57 -0.09 0.00 0.00 0.00 0.00 32.46 31.80 2ayy n ARG 760 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ayy s ALA 761 N -3.86 0.74 -0.08 5.13 0.00 -1.24 -4.86 121.76 117.59 2ayy s ALA 761 Ca 0.00 -1.40 -0.03 0.00 0.00 0.00 0.00 51.96 50.53 2ayy s ALA 761 Cb 0.00 0.98 0.04 0.00 0.00 0.00 0.00 23.12 24.14 2ayy s ALA 761 CO 0.00 -0.55 0.16 0.54 0.00 0.00 0.00 175.76 175.91 2ayy s VAL 762 N -4.06 -0.15 -0.22 0.00 0.11 -0.96 -0.96 120.40 114.16 2ayy s VAL 762 Ca 0.26 0.26 -0.05 0.00 -2.93 0.00 0.00 61.98 59.51 2ayy s VAL 762 Cb 0.06 -0.28 -0.02 0.00 -1.53 0.00 0.00 36.38 34.62 2ayy s VAL 762 CO 0.04 0.11 0.00 -0.69 -3.33 0.00 0.00 175.10 171.23 2ayy s VAL 763 N 1.70 3.82 -0.17 2.04 1.01 0.17 -0.64 120.40 128.33 2ayy s VAL 763 Ca -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2ayy s VAL 763 Cb -0.12 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 2ayy s VAL 763 CO -0.06 0.40 -0.10 -0.89 0.00 0.00 0.00 175.10 174.46 2ayy s THR 764 N 1.33 3.15 -0.78 3.92 2.01 -0.02 -0.66 115.64 124.59 2ayy s THR 764 Ca 0.04 -0.60 -0.17 0.00 0.31 0.00 0.00 61.69 61.27 2ayy s THR 764 Cb -0.15 -2.37 0.16 0.00 0.01 0.00 0.00 72.50 70.15 2ayy s THR 764 CO 0.01 0.49 0.84 -0.36 -0.69 0.00 0.00 174.62 174.91 2ayy s PHE 765 N 0.84 3.35 0.13 4.92 0.40 -0.48 -1.72 117.98 125.42 2ayy s PHE 765 Ca -0.03 -1.52 0.09 0.00 -0.60 0.00 0.00 56.93 54.87 2ayy s PHE 765 Cb -0.15 -4.00 -0.04 0.00 0.51 0.00 0.00 43.02 39.34 2ayy s PHE 765 CO 0.01 -1.22 -0.18 0.00 0.70 0.00 0.00 175.22 174.53 2ayy h ARG 767 N 3.64 -0.01 -0.54 0.00 2.47 -1.88 -3.37 114.38 114.70 2ayy h ARG 767 Ca -0.50 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.18 2ayy h ARG 767 Cb 1.17 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.34 2ayy h ARG 767 CO 0.46 -0.01 -0.28 0.50 0.56 0.00 0.00 179.97 181.21 2ayy s ARG 768 N -1.32 0.56 -0.18 0.04 6.06 -1.26 -4.97 118.95 117.89 2ayy s ARG 768 Ca -0.00 -0.51 -0.13 0.00 -2.50 0.00 0.00 55.73 52.59 2ayy s ARG 768 Cb 0.00 -0.02 0.05 0.00 0.06 0.00 0.00 34.95 35.05 2ayy s ARG 768 CO 0.00 -0.70 0.45 -1.58 -2.50 0.00 0.00 175.30 170.97 2ayy s HIS 769 N 1.07 -0.59 0.20 5.12 2.46 -1.26 -5.16 115.29 117.14 2ayy s HIS 769 Ca 0.25 1.31 -0.16 0.00 0.47 0.00 0.00 55.06 56.92 2ayy s HIS 769 Cb 0.06 0.25 -0.08 0.00 -0.13 0.00 0.00 32.58 32.68 2ayy s HIS 769 CO -0.09 -0.31 0.65 0.42 -2.47 0.00 0.00 174.74 172.94 2ayy s ILE 770 N 0.90 4.72 0.00 0.89 1.01 -1.26 -4.75 121.20 122.72 2ayy s ILE 770 Ca -0.05 1.01 0.00 0.00 0.00 0.00 0.00 60.65 61.61 2ayy s ILE 770 Cb -0.06 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2ayy s ILE 770 CO -0.07 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2ayy n GLY 771 N 0.56 -0.81 3.85 6.18 0.00 -1.26 -5.02 105.19 108.69 2ayy n GLY 771 Ca -0.03 0.40 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 2ayy n GLY 771 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ayy s ILE 772 N 0.00 4.74 -0.77 -0.61 2.07 -0.80 -4.75 121.20 121.07 2ayy s ILE 772 Ca 0.00 0.86 -0.26 0.00 -1.41 0.00 0.00 60.65 59.85 2ayy s ILE 772 Cb 0.00 -3.65 -0.09 0.00 0.13 0.00 0.00 42.46 38.85 2ayy s ILE 772 CO 0.00 -0.09 2.23 -2.84 -1.91 0.00 0.00 174.94 172.33 2ayy s PRO 773 N -2.77 2.03 -1.14 3.50 0.02 -1.26 -4.88 135.00 130.50 2ayy s PRO 773 Ca 0.50 0.38 -0.22 0.00 0.02 0.00 0.00 61.00 61.68 2ayy s PRO 773 Cb -0.11 -4.81 -0.04 0.00 0.02 0.00 0.00 34.50 29.56 2ayy s PRO 773 CO 0.19 -3.85 1.86 -0.48 -0.33 0.00 0.00 177.00 174.38 2ayy s LEU 774 N 12.62 3.26 0.00 -5.54 2.34 -1.26 -4.82 118.68 125.29 2ayy s LEU 774 Ca 0.84 -1.59 0.00 0.00 0.06 0.00 0.00 54.13 53.44 2ayy s LEU 774 Cb -0.11 -2.58 0.00 0.00 -0.56 0.00 0.00 46.19 42.94 2ayy s LEU 774 CO 0.09 -2.52 0.00 1.21 -1.06 0.00 0.00 176.35 174.07 2ayy n GLU 775 N 8.47 0.00 -2.52 1.48 2.13 -1.26 -4.79 120.64 124.15 2ayy n GLU 775 Ca 0.44 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 58.08 2ayy n GLU 775 Cb 0.47 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.18 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 13.23 -2.29 -3.63 5.31 4.76 -1.26 -4.80 118.16 129.48 2ayy n LYS 776 Ca 0.00 0.82 -0.07 0.00 -2.87 0.00 0.00 58.31 56.19 2ayy n LYS 776 Cb 0.00 -5.48 -0.06 0.00 -1.84 0.00 0.00 35.03 27.64 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 -2.89 -2.04 -1.08 7.82 0.00 -1.26 -5.07 121.76 117.25 2ayy s ALA 777 Ca 0.05 1.77 -0.21 0.00 0.00 0.00 0.00 51.96 53.56 2ayy s ALA 777 Cb -0.02 -1.36 -0.08 0.00 0.00 0.00 0.00 23.12 21.65 2ayy s ALA 777 CO 0.06 -0.22 1.93 -2.30 0.00 0.00 0.00 175.76 175.22 2ayy n PRO 778 N 1.57 1.86 0.00 0.00 -0.02 -1.26 -2.62 135.00 134.52 2ayy n PRO 778 Ca -0.10 -2.37 0.00 0.00 -2.02 0.00 0.00 63.50 59.01 2ayy n PRO 778 Cb 0.57 -3.39 0.00 0.00 -0.02 0.00 0.00 33.50 30.65 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 5.19 0.27 3.76 -1.23 0.00 -1.26 -5.10 105.19 106.82 2ayy n GLY 779 Ca 0.48 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 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 3.14 -0.07 1.61 -1.05 -1.08 -2.27 118.70 118.98 2ayy s GLU 780 Ca 0.00 -0.32 0.03 0.00 -0.15 0.00 0.00 54.97 54.53 2ayy s GLU 780 Cb 0.00 -2.93 0.01 0.00 -0.44 0.00 0.00 34.13 30.77 2ayy s GLU 780 CO 0.00 0.72 -0.16 -1.58 0.95 0.00 0.00 175.26 175.19 2ayy s TRP 781 N -0.97 1.82 0.07 4.83 0.52 0.19 -4.33 118.94 121.06 2ayy s TRP 781 Ca 0.15 -0.68 0.07 0.00 0.02 0.00 0.00 56.10 55.66 2ayy s TRP 781 Cb -0.12 -1.27 -0.04 0.00 -1.15 0.00 0.00 33.47 30.90 2ayy s TRP 781 CO 0.04 -0.30 -0.17 0.54 0.02 0.00 0.00 176.95 177.08 2ayy s VAL 782 N 0.48 2.89 -0.06 4.03 0.11 -1.26 -0.84 120.40 125.75 2ayy s VAL 782 Ca -0.14 -1.27 -0.26 0.00 -2.93 0.00 0.00 61.98 57.38 2ayy s VAL 782 Cb -0.16 -2.26 0.06 0.00 -1.53 0.00 0.00 36.38 32.49 2ayy s VAL 782 CO 0.05 0.25 0.58 -2.28 -3.33 0.00 0.00 175.10 170.38 2ayy s HIS 783 N -1.02 -0.55 0.32 1.54 2.46 -0.70 -4.93 115.29 112.42 2ayy s HIS 783 Ca 0.16 0.97 -0.27 0.00 0.47 0.00 0.00 55.06 56.40 2ayy s HIS 783 Cb -0.11 0.32 -0.09 0.00 -0.13 0.00 0.00 32.58 32.57 2ayy s HIS 783 CO 0.07 -0.53 1.02 -1.54 -2.47 0.00 0.00 174.74 171.30 2ayy s SER 784 N -1.07 7.17 -0.62 9.88 1.04 -1.26 -1.57 113.70 127.28 2ayy s SER 784 Ca -0.11 2.04 -0.06 0.00 0.48 0.00 0.00 55.95 58.31 2ayy s SER 784 Cb -0.02 -2.60 -0.12 0.00 0.10 0.00 0.00 66.02 63.39 2ayy s SER 784 CO 0.08 -0.19 2.49 0.52 0.98 0.00 0.00 173.24 177.11 2ayy n VAL 785 N 0.66 2.57 -2.31 5.02 0.31 -1.26 -3.61 118.33 119.71 2ayy n VAL 785 Ca 0.02 -1.44 -0.00 0.00 -0.01 0.00 0.00 64.34 62.90 2ayy n VAL 785 Cb 0.48 -2.08 -0.01 0.00 -0.91 0.00 0.00 33.84 31.32 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 3.41 2.91 -2.90 3.52 0.00 -1.26 -4.98 120.51 121.21 2ayy n ALA 786 Ca 0.43 -1.71 -0.12 0.00 0.00 0.00 0.00 53.44 52.05 2ayy n ALA 786 Cb 0.37 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 0.29 -0.46 0.05 0.00 0.00 -1.24 -5.02 120.51 114.14 2ayy n ALA 787 Ca -0.07 -1.80 0.01 0.00 0.00 0.00 0.00 53.44 51.59 2ayy n ALA 787 Cb 0.97 -1.24 0.35 0.00 0.00 0.00 0.00 19.45 19.54 2ayy n ALA 787 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ayy h PRO 788 N 4.49 0.41 0.00 0.00 0.13 -1.93 -2.79 132.00 132.32 2ayy h PRO 788 Ca -0.00 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 2ayy h PRO 788 Cb 1.02 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2ayy h PRO 788 CO 0.26 0.45 0.00 -2.39 -0.23 0.00 0.00 178.00 176.09 2ayy n HIS 789 N -4.31 0.93 0.02 1.56 1.44 -1.26 -3.15 115.22 110.46 2ayy n HIS 789 Ca 0.01 0.29 -0.09 0.00 -2.01 0.00 0.00 57.72 55.92 2ayy n HIS 789 Cb 0.23 -0.97 0.06 0.00 0.12 0.00 0.00 29.99 29.42 2ayy n HIS 789 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2ayy h GLU 790 N 0.00 0.49 0.24 -1.40 3.07 -1.92 -3.34 114.58 111.71 2ayy h GLU 790 Ca 0.00 -0.33 -0.01 0.00 -0.50 0.00 0.00 59.36 58.52 2ayy h GLU 790 Cb 0.66 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.62 2ayy h GLU 790 CO 0.00 0.94 -0.11 -0.07 -1.40 0.00 0.00 179.01 178.37 2ayy h LEU 791 N 0.36 -0.27 -1.70 1.33 3.38 -1.67 -0.11 115.31 116.63 2ayy h LEU 791 Ca -0.00 -0.15 0.08 0.00 0.09 0.00 0.00 57.88 57.91 2ayy h LEU 791 Cb 1.14 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 2ayy h LEU 791 CO 0.11 -0.01 0.35 1.55 0.09 0.00 0.00 178.44 180.53 2ayy h PRO 792 N -0.54 0.34 -0.14 1.13 0.13 -1.75 0.74 132.00 131.90 2ayy h PRO 792 Ca -0.03 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.88 2ayy h PRO 792 Cb 0.40 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.46 2ayy h PRO 792 CO 0.05 0.22 -0.68 0.00 -0.23 0.00 0.00 178.00 177.37 2ayy h ALA 793 N 1.73 0.28 -0.50 -0.56 0.00 -1.63 -2.38 119.26 116.20 2ayy h ALA 793 Ca 0.23 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2ayy h ALA 793 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2ayy h ALA 793 CO -0.06 0.58 0.27 1.25 0.00 0.00 0.00 179.25 181.30 2ayy h LEU 794 N 0.41 0.62 -0.57 0.00 5.85 -0.02 -1.92 115.31 119.68 2ayy h LEU 794 Ca -0.04 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.57 2ayy h LEU 794 Cb 1.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2ayy h LEU 794 CO 0.14 0.54 0.29 -0.07 -0.34 0.00 0.00 178.44 179.00 2ayy h LEU 795 N 0.66 0.74 -1.49 2.25 3.38 -0.91 -1.06 115.31 118.88 2ayy h LEU 795 Ca 0.18 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 2ayy h LEU 795 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2ayy h LEU 795 CO -0.03 0.64 0.06 0.00 0.09 0.00 0.00 178.44 179.20 2ayy h ALA 796 N 1.12 1.60 0.02 1.53 0.00 -1.20 -0.60 119.26 121.73 2ayy h ALA 796 Ca 0.20 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ayy h ALA 796 Cb 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2ayy h ALA 796 CO -0.03 0.31 -0.01 -0.09 0.00 0.00 0.00 179.25 179.43 2ayy h ARG 797 N 0.38 -0.02 -0.54 0.00 2.43 -0.76 -0.39 114.38 115.49 2ayy h ARG 797 Ca 0.09 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.18 2ayy h ARG 797 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 2ayy h ARG 797 CO -0.00 0.54 0.00 0.82 -1.51 0.00 0.00 179.97 179.82 2ayy h ILE 798 N -0.60 1.26 -0.01 1.20 2.04 -0.98 -1.71 117.51 118.71 2ayy h ILE 798 Ca -0.00 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2ayy h ILE 798 Cb 0.57 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.49 2ayy h ILE 798 CO 0.00 0.39 0.00 -1.22 0.00 0.00 0.00 178.15 177.32 2ayy n TYR 799 N -4.20 0.01 -3.64 1.37 4.01 -0.25 -4.91 117.16 109.56 2ayy n TYR 799 Ca 0.03 -0.01 -0.21 0.00 -0.16 0.00 0.00 57.90 57.55 2ayy n TYR 799 Cb 0.32 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.40 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 -0.77 -3.36 0.00 7.72 4.77 -0.64 -4.96 117.00 119.76 2ayy n LEU 800 Ca 0.20 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2ayy n LEU 800 Cb 0.12 -2.74 0.00 0.00 -2.33 0.00 0.00 43.42 38.47 2ayy n LEU 800 CO 0.15 0.39 0.00 -0.38 -1.33 0.00 0.00 177.39 176.22 2ayy n ILE 801 N -4.19 0.00 0.08 -0.08 5.41 -0.17 -5.05 119.36 115.35 2ayy n ILE 801 Ca -0.28 0.36 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2ayy n ILE 801 Cb 0.67 -1.15 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 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 -1.73 0.00 -1.74 0.38 2.13 -1.26 -5.11 120.64 113.32 2ayy n GLU 802 Ca 0.00 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.40 2ayy n GLU 802 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 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 -2.00 4.13 0.28 5.31 -1.94 -1.26 -5.01 119.30 118.81 2ayy s MET 803 Ca 0.00 2.59 0.02 0.00 -1.71 0.00 0.00 55.69 56.59 2ayy s MET 803 Cb 0.00 -3.08 0.05 0.00 2.01 0.00 0.00 34.83 33.82 2ayy s MET 803 CO 0.00 -0.74 0.39 0.39 -0.01 0.00 0.00 175.02 175.05 2ayy n GLU 804 N 3.93 0.57 -3.63 2.03 -0.58 -1.26 -3.99 120.64 117.71 2ayy n GLU 804 Ca 0.16 -1.26 -0.27 0.00 -0.42 0.00 0.00 57.16 55.36 2ayy n GLU 804 Cb 0.35 -0.19 -0.10 0.00 -0.57 0.00 0.00 31.44 30.93 2ayy n GLU 804 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2ayy n SER 805 N -2.83 3.43 -4.78 1.62 7.64 -1.26 -4.97 113.62 112.46 2ayy n SER 805 Ca 0.07 -3.34 -0.36 0.00 1.01 0.00 0.00 58.87 56.25 2ayy n SER 805 Cb 0.26 -0.71 -0.05 0.00 -1.01 0.00 0.00 64.21 62.70 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 -2.03 6.94 -0.73 6.43 2.15 -1.26 -5.02 116.67 123.15 2ayy s ASP 806 Ca 0.33 1.96 0.02 0.00 0.43 0.00 0.00 52.55 55.29 2ayy s ASP 806 Cb 0.06 -2.58 0.18 0.00 -0.30 0.00 0.00 42.92 40.28 2ayy s ASP 806 CO -0.08 -0.36 0.55 -0.62 -0.17 0.00 0.00 175.17 174.49 2ayy s ASP 807 N -1.62 5.19 0.03 -0.34 2.15 -1.26 -4.87 116.67 115.95 2ayy s ASP 807 Ca 0.56 -3.56 0.23 0.00 0.43 0.00 0.00 52.55 50.21 2ayy s ASP 807 Cb -0.20 -1.76 0.98 0.00 -0.30 0.00 0.00 42.92 41.64 2ayy s ASP 807 CO 0.26 -0.17 1.75 -2.65 -0.17 0.00 0.00 175.17 174.18 2ayy n PRO 808 N 2.45 0.03 -1.86 4.34 -0.02 -1.26 -4.17 135.00 134.51 2ayy n PRO 808 Ca 0.17 0.12 -0.40 0.00 -2.02 0.00 0.00 63.50 61.36 2ayy n PRO 808 Cb 0.36 -1.54 -0.01 0.00 -0.02 0.00 0.00 33.50 32.29 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ayy n ALA 809 N -1.53 6.65 -2.48 3.55 0.00 -1.26 -4.90 120.51 120.54 2ayy n ALA 809 Ca 0.05 -3.97 -0.26 0.00 0.00 0.00 0.00 53.44 49.26 2ayy n ALA 809 Cb 0.28 -3.02 -0.16 0.00 0.00 0.00 0.00 19.45 16.56 2ayy n ALA 809 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ayy s ASN 810 N 1.12 2.30 -0.12 0.00 3.84 -1.26 -5.13 114.94 115.68 2ayy s ASN 810 Ca 0.55 -0.36 -0.01 0.00 0.21 0.00 0.00 52.86 53.25 2ayy s ASN 810 Cb 0.16 -0.28 -0.02 0.00 -0.55 0.00 0.00 41.25 40.56 2ayy s ASN 810 CO -0.07 0.24 -0.09 0.00 -2.79 0.00 0.00 177.10 174.39 2ayy s ALA 811 N -0.43 2.83 -0.22 1.71 0.00 -1.26 -5.09 121.76 119.30 2ayy s ALA 811 Ca 0.07 -0.87 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 2ayy s ALA 811 Cb -0.08 -1.33 0.01 0.00 0.00 0.00 0.00 23.12 21.72 2ayy s ALA 811 CO -0.01 0.31 1.08 -1.17 0.00 0.00 0.00 175.76 175.98 2ayy s LEU 812 N 0.08 4.11 -0.75 0.00 2.96 -1.26 -4.97 118.68 118.85 2ayy s LEU 812 Ca -0.03 1.42 -0.26 0.00 -0.22 0.00 0.00 54.13 55.05 2ayy s LEU 812 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 2ayy s LEU 812 CO 0.04 -0.69 1.94 -2.84 -1.32 0.00 0.00 176.35 173.47 2ayy s PRO 813 N 3.27 2.54 -0.90 0.98 0.02 -1.26 -4.92 135.00 134.73 2ayy s PRO 813 Ca 0.46 0.20 -0.16 0.00 0.02 0.00 0.00 61.00 61.53 2ayy s PRO 813 Cb -0.16 -4.73 0.18 0.00 0.02 0.00 0.00 34.50 29.82 2ayy s PRO 813 CO 0.08 -3.12 0.96 -1.12 -0.33 0.00 0.00 177.00 173.47 2ayy s SER 814 N 8.30 6.75 0.66 2.53 0.01 -1.26 -5.03 113.70 125.66 2ayy s SER 814 Ca 0.70 -2.49 -0.12 0.00 1.31 0.00 0.00 55.95 55.35 2ayy s SER 814 Cb -0.10 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.83 2ayy s SER 814 CO 0.10 -0.76 1.06 0.42 0.41 0.00 0.00 173.24 174.47 2ayy s THR 815 N 1.16 3.93 -2.23 1.44 -4.23 -1.26 -5.34 115.64 109.11 2ayy s THR 815 Ca 0.26 0.72 0.30 0.00 -1.18 0.00 0.00 61.69 61.79 2ayy s THR 815 Cb -0.08 -3.38 0.74 0.00 1.34 0.00 0.00 72.50 71.13 2ayy s THR 815 CO -0.09 -0.72 2.01 -0.67 -0.54 0.00 0.00 174.62 174.60