#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 1.21 0.00 -5.12 0.00 -1.26 -5.05 105.19 94.96 2ayy n GLY 697 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 5.00 0.70 3.99 -0.02 0.00 -1.26 -5.16 105.19 108.43 2ayy n GLY 698 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.90 4.79 -0.04 1.61 0.01 -1.26 -5.13 113.70 112.78 2ayy s SER 699 Ca 0.00 -0.23 -0.30 0.00 1.31 0.00 0.00 55.95 56.73 2ayy s SER 699 Cb 0.00 -0.38 0.11 0.00 0.21 0.00 0.00 66.02 65.96 2ayy s SER 699 CO 0.00 -1.52 0.94 -0.83 0.41 0.00 0.00 173.24 172.23 2ayy s GLY 700 N -4.60 -0.43 -0.40 3.44 0.00 -1.26 -5.12 107.32 98.96 2ayy s GLY 700 Ca 0.62 1.19 0.01 0.00 0.00 0.00 0.00 44.72 46.54 2ayy s GLY 700 CO 0.41 0.43 0.19 0.54 0.00 0.00 0.00 173.10 174.67 2ayy s VAL 701 N -2.83 1.35 -1.32 1.40 0.11 -1.26 -5.03 120.40 112.82 2ayy s VAL 701 Ca 0.05 -2.24 -0.11 0.00 -2.93 0.00 0.00 61.98 56.75 2ayy s VAL 701 Cb -0.01 -1.96 0.14 0.00 -1.53 0.00 0.00 36.38 33.02 2ayy s VAL 701 CO -0.07 -0.81 1.93 -0.62 -3.33 0.00 0.00 175.10 172.19 2ayy n GLU 702 N 3.93 3.44 -3.46 1.54 4.71 -1.26 -4.96 120.64 124.59 2ayy n GLU 702 Ca 0.05 -3.34 -0.37 0.00 -0.01 0.00 0.00 57.16 53.49 2ayy n GLU 702 Cb 0.37 -3.02 -0.07 0.00 -1.01 0.00 0.00 31.44 27.71 2ayy n GLU 702 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ayy s GLY 703 N 1.48 2.22 0.13 0.62 0.00 -1.26 -5.06 107.32 105.45 2ayy s GLY 703 Ca 0.41 -0.41 -0.29 0.00 0.00 0.00 0.00 44.72 44.43 2ayy s GLY 703 CO -0.01 0.58 0.92 1.08 0.00 0.00 0.00 173.10 175.66 2ayy s LEU 704 N 0.67 4.52 0.17 0.66 2.01 -1.26 -5.05 118.68 120.40 2ayy s LEU 704 Ca 0.19 1.76 0.06 0.00 0.01 0.00 0.00 54.13 56.15 2ayy s LEU 704 Cb -0.14 -3.52 -0.04 0.00 0.01 0.00 0.00 46.19 42.50 2ayy s LEU 704 CO 0.06 0.00 -0.13 -0.44 1.01 0.00 0.00 176.35 176.85 2ayy s SER 705 N -0.28 2.18 0.00 2.29 0.01 -1.26 -5.13 113.70 111.51 2ayy s SER 705 Ca 0.44 -0.97 0.00 0.00 1.31 0.00 0.00 55.95 56.73 2ayy s SER 705 Cb -0.23 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.92 2ayy s SER 705 CO 0.29 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.33 2ayy n GLY 706 N -0.10 4.67 3.88 3.44 0.00 -1.26 -5.04 105.19 110.78 2ayy n GLY 706 Ca -0.11 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.48 2ayy n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayy s LYS 707 N -4.61 3.72 0.07 1.61 -0.14 -1.26 -4.89 119.74 114.24 2ayy s LYS 707 Ca 0.00 0.43 0.09 0.00 -1.36 0.00 0.00 55.97 55.13 2ayy s LYS 707 Cb 0.00 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.75 2ayy s LYS 707 CO 0.00 -0.11 -0.21 0.50 -0.76 0.00 0.00 175.35 174.77 2ayy s ARG 708 N -4.13 1.86 0.04 1.68 3.00 -1.26 -0.88 118.95 119.25 2ayy s ARG 708 Ca 0.51 -1.10 -0.05 0.00 -1.00 0.00 0.00 55.73 54.08 2ayy s ARG 708 Cb -0.10 -2.08 -0.01 0.00 0.00 0.00 0.00 34.95 32.75 2ayy s ARG 708 CO 0.36 0.51 0.09 0.00 0.00 0.00 0.00 175.30 176.26 2ayy s TRP 710 N -2.68 2.88 -0.16 0.00 0.52 0.09 -1.15 118.94 118.44 2ayy s TRP 710 Ca -0.04 -0.14 0.01 0.00 0.02 0.00 0.00 56.10 55.95 2ayy s TRP 710 Cb -0.01 -1.74 0.01 0.00 -1.15 0.00 0.00 33.47 30.58 2ayy s TRP 710 CO -0.05 0.19 -0.19 -1.17 0.02 0.00 0.00 176.95 175.75 2ayy s LEU 711 N -0.51 2.23 -0.41 2.99 0.20 0.18 -0.84 118.68 122.52 2ayy s LEU 711 Ca 0.07 -0.58 0.09 0.00 0.69 0.00 0.00 54.13 54.40 2ayy s LEU 711 Cb -0.12 -1.49 0.42 0.00 -0.43 0.00 0.00 46.19 44.57 2ayy s LEU 711 CO 0.02 0.05 1.03 0.00 -0.29 0.00 0.00 176.35 177.16 2ayy n ALA 712 N 4.29 4.43 -2.64 5.97 0.00 0.28 -1.50 120.51 131.34 2ayy n ALA 712 Ca -0.20 -3.97 -0.39 0.00 0.00 0.00 0.00 53.44 48.88 2ayy n ALA 712 Cb 0.51 -0.69 -0.05 0.00 0.00 0.00 0.00 19.45 19.22 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 -4.61 5.04 0.04 0.00 1.01 -1.25 -2.57 120.40 118.06 2ayy s VAL 713 Ca 0.42 1.24 -0.00 0.00 0.00 0.00 0.00 61.98 63.63 2ayy s VAL 713 Cb 0.41 -3.94 -0.26 0.00 0.00 0.00 0.00 36.38 32.58 2ayy s VAL 713 CO -0.11 0.33 0.99 0.03 0.00 0.00 0.00 175.10 176.34 2ayy h ARG 714 N 6.38 0.19 -5.87 2.72 2.47 -1.95 -3.43 114.38 114.89 2ayy h ARG 714 Ca -0.42 -0.32 -0.50 0.00 -1.26 0.00 0.00 59.98 57.47 2ayy h ARG 714 Cb 1.19 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.62 2ayy h ARG 714 CO 0.74 1.07 1.47 -0.80 0.56 0.00 0.00 179.97 183.00 2ayy s ASN 715 N -6.90 5.02 0.10 7.04 0.01 -1.26 -4.87 114.94 114.08 2ayy s ASN 715 Ca -0.05 0.87 -0.22 0.00 -0.71 0.00 0.00 52.86 52.74 2ayy s ASN 715 Cb 0.08 -2.52 -0.12 0.00 0.41 0.00 0.00 41.25 39.10 2ayy s ASN 715 CO 0.85 -2.47 1.75 0.00 -1.51 0.00 0.00 177.10 175.72 2ayy h ALA 716 N 16.57 0.07 -0.36 0.60 0.00 -1.99 0.45 119.26 134.59 2ayy h ALA 716 Ca -0.27 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2ayy h ALA 716 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2ayy h ALA 716 CO 1.15 -0.44 -0.05 0.66 0.00 0.00 0.00 179.25 180.57 2ayy h SER 717 N 0.07 0.66 -0.68 0.00 4.64 -1.98 -2.33 113.55 113.92 2ayy h SER 717 Ca 0.02 -0.34 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 2ayy h SER 717 Cb 0.00 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.88 2ayy h SER 717 CO -0.01 0.84 0.21 0.25 -0.87 0.00 0.00 176.83 177.25 2ayy h LEU 718 N 0.47 1.00 -0.11 5.97 7.12 -1.92 -1.36 115.31 126.49 2ayy h LEU 718 Ca 0.10 -0.21 0.02 0.00 0.13 0.00 0.00 57.88 57.92 2ayy h LEU 718 Cb 0.53 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 2ayy h LEU 718 CO 0.03 0.95 -0.04 0.00 -0.13 0.00 0.00 178.44 179.25 2ayy h GLN 720 N -0.02 0.00 0.51 0.00 4.20 -1.29 -2.15 115.11 116.37 2ayy h GLN 720 Ca 0.06 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 2ayy h GLN 720 Cb 0.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.89 2ayy h GLN 720 CO -0.12 0.34 -0.25 0.35 -0.67 0.00 0.00 178.83 178.48 2ayy h PHE 721 N 0.00 -0.64 -0.21 2.96 3.04 -0.56 -2.67 116.94 118.86 2ayy h PHE 721 Ca -0.00 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.82 2ayy h PHE 721 Cb 0.64 0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.35 2ayy h PHE 721 CO 0.00 -0.31 -0.33 1.37 -2.02 0.00 0.00 178.31 177.02 2ayy h LEU 722 N -0.98 0.45 -0.91 0.59 8.10 -1.22 -2.60 115.31 118.74 2ayy h LEU 722 Ca -0.07 -0.17 -0.08 0.00 0.11 0.00 0.00 57.88 57.67 2ayy h LEU 722 Cb 0.61 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.69 2ayy h LEU 722 CO 0.12 0.76 -0.03 1.05 -4.11 0.00 0.00 178.44 176.22 2ayy h GLU 723 N 0.38 0.76 -0.51 0.17 4.11 -1.45 -0.89 114.58 117.15 2ayy h GLU 723 Ca 0.05 -0.21 -0.11 0.00 0.07 0.00 0.00 59.36 59.15 2ayy h GLU 723 Cb 0.76 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 2ayy h GLU 723 CO 0.06 0.79 -0.11 1.15 0.07 0.00 0.00 179.01 180.97 2ayy h THR 724 N 0.71 1.27 -0.43 -1.06 2.02 -1.14 0.20 112.91 114.48 2ayy h THR 724 Ca 0.13 -1.26 -0.09 0.00 0.77 0.00 0.00 66.41 65.97 2ayy h THR 724 Cb 0.48 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 2ayy h THR 724 CO 0.02 0.44 -0.08 0.28 0.37 0.00 0.00 175.52 176.55 2ayy h SER 725 N 0.83 0.74 -0.32 4.18 0.02 -1.17 -2.27 113.55 115.57 2ayy h SER 725 Ca 0.13 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.75 2ayy h SER 725 Cb 0.68 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2ayy h SER 725 CO 0.05 0.86 -0.28 0.25 -1.14 0.00 0.00 176.83 176.57 2ayy h LEU 726 N 0.69 0.81 -1.62 5.07 5.85 -0.95 -3.04 115.31 122.12 2ayy h LEU 726 Ca 0.12 -0.46 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 2ayy h LEU 726 Cb 0.55 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 2ayy h LEU 726 CO 0.03 1.10 -0.07 1.56 -0.34 0.00 0.00 178.44 180.72 2ayy h GLN 727 N 0.53 0.00 0.00 1.25 4.20 -0.76 -0.91 115.11 119.42 2ayy h GLN 727 Ca 0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2ayy h GLN 727 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 2ayy h GLN 727 CO 0.07 0.07 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 2ayy h ARG 728 N 0.00 0.00 0.00 1.46 2.47 -1.29 -0.42 114.38 116.61 2ayy h ARG 728 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2ayy h ARG 728 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.80 2ayy h ARG 728 CO 0.01 0.00 -0.47 0.43 0.56 0.00 0.00 179.97 180.50 2ayy n SER 729 N -2.44 0.53 0.00 7.04 7.64 -0.35 -4.92 113.62 121.12 2ayy n SER 729 Ca 0.00 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2ayy n SER 729 Cb 0.16 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2ayy n SER 729 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayy n GLY 730 N 1.42 0.92 3.86 0.23 0.00 -0.17 -5.08 105.19 106.38 2ayy n GLY 730 Ca 0.05 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 5.45 0.12 -0.61 1.01 -1.24 -4.25 121.20 119.67 2ayy s ILE 731 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.82 2ayy s ILE 731 Cb 0.00 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 39.04 2ayy s ILE 731 CO 0.00 0.60 0.31 0.68 0.00 0.00 0.00 174.94 176.53 2ayy s VAL 732 N -0.89 5.27 0.01 2.92 -7.23 -0.06 -3.88 120.40 116.53 2ayy s VAL 732 Ca 0.14 -0.22 0.03 0.00 -1.81 0.00 0.00 61.98 60.13 2ayy s VAL 732 Cb -0.12 -3.64 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 2ayy s VAL 732 CO 0.03 0.05 -0.11 0.54 -0.31 0.00 0.00 175.10 175.30 2ayy s VAL 733 N -1.63 0.85 -0.01 1.32 0.11 -1.26 -1.79 120.40 117.99 2ayy s VAL 733 Ca 0.38 -0.59 0.03 0.00 -2.93 0.00 0.00 61.98 58.87 2ayy s VAL 733 Cb -0.12 -0.74 -0.01 0.00 -1.53 0.00 0.00 36.38 33.98 2ayy s VAL 733 CO 0.27 0.14 -0.11 -0.89 -3.33 0.00 0.00 175.10 171.18 2ayy s THR 734 N -0.44 0.88 -0.03 5.04 2.01 -0.30 -4.97 115.64 117.83 2ayy s THR 734 Ca 0.03 -0.48 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 2ayy s THR 734 Cb -0.05 -0.73 -0.06 0.00 0.01 0.00 0.00 72.50 71.67 2ayy s THR 734 CO 0.00 0.24 1.60 -0.89 -0.69 0.00 0.00 174.62 174.88 2ayy s THR 735 N -0.27 3.52 -0.67 -0.82 2.01 -1.26 -0.65 115.64 117.50 2ayy s THR 735 Ca 0.04 0.75 -0.27 0.00 0.31 0.00 0.00 61.69 62.52 2ayy s THR 735 Cb -0.04 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.00 2ayy s THR 735 CO -0.00 -0.04 1.32 -0.47 -0.69 0.00 0.00 174.62 174.73 2ayy s TYR 736 N 3.48 2.31 -0.44 4.92 5.04 -0.56 -4.83 117.35 127.28 2ayy s TYR 736 Ca 0.71 0.17 0.05 0.00 -2.44 0.00 0.00 57.07 55.57 2ayy s TYR 736 Cb -0.34 -4.54 0.20 0.00 0.35 0.00 0.00 41.96 37.63 2ayy s TYR 736 CO 0.29 -1.97 0.43 0.39 -1.34 0.00 0.00 175.55 173.35 2ayy n GLU 737 N 9.07 0.60 -2.46 4.97 -0.58 -1.26 -4.78 120.64 126.21 2ayy n GLU 737 Ca 0.07 -3.37 -0.01 0.00 -0.42 0.00 0.00 57.16 53.42 2ayy n GLU 737 Cb 0.49 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ayy n GLY 738 N 2.21 0.76 1.30 0.62 0.00 -1.26 -5.07 105.19 103.75 2ayy n GLY 738 Ca 0.26 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.84 1.27 -3.77 1.61 3.00 -1.26 -5.13 117.38 112.25 2ayy n GLN 739 Ca -0.00 -1.20 -0.36 0.00 -0.01 0.00 0.00 57.00 55.42 2ayy n GLN 739 Cb 0.51 0.16 -0.06 0.00 0.00 0.00 0.00 30.24 30.85 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 -2.76 3.57 0.33 -1.09 1.03 -1.26 -5.09 118.70 113.44 2ayy s GLU 740 Ca 0.09 -0.02 -0.26 0.00 0.03 0.00 0.00 54.97 54.81 2ayy s GLU 740 Cb -0.01 -3.16 -0.09 0.00 -0.80 0.00 0.00 34.13 30.07 2ayy s GLU 740 CO 0.06 0.72 1.01 -2.14 -1.33 0.00 0.00 175.26 173.58 2ayy s PRO 741 N -1.29 4.49 -0.01 -4.83 0.02 -1.26 -5.08 135.00 127.05 2ayy s PRO 741 Ca 0.21 1.50 0.07 0.00 0.02 0.00 0.00 61.00 62.80 2ayy s PRO 741 Cb -0.13 -2.84 -0.02 0.00 0.02 0.00 0.00 34.50 31.52 2ayy s PRO 741 CO 0.10 0.16 -0.24 0.99 -0.33 0.00 0.00 177.00 177.68 2ayy s THR 742 N -1.49 1.87 0.55 0.99 2.01 -1.26 -4.94 115.64 113.36 2ayy s THR 742 Ca 0.51 -1.07 0.27 0.00 0.31 0.00 0.00 61.69 61.71 2ayy s THR 742 Cb -0.23 -1.56 0.41 0.00 0.01 0.00 0.00 72.50 71.13 2ayy s THR 742 CO 0.29 0.48 1.96 -0.65 -0.69 0.00 0.00 174.62 176.01 2ayy h PRO 743 N 5.40 0.00 -0.55 4.92 0.11 -1.86 0.15 132.00 140.18 2ayy h PRO 743 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2ayy h PRO 743 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2ayy h PRO 743 CO 0.47 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.65 2ayy n GLU 744 N -4.21 3.08 -4.56 1.05 -0.58 -1.26 -2.53 120.64 111.63 2ayy n GLU 744 Ca 0.11 -2.55 -0.34 0.00 -0.42 0.00 0.00 57.16 53.96 2ayy n GLU 744 Cb 0.68 -1.59 -0.11 0.00 -0.57 0.00 0.00 31.44 29.85 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 -1.06 4.81 0.05 1.62 1.01 0.03 -4.74 116.67 118.38 2ayy s ASP 745 Ca 0.41 0.02 0.04 0.00 0.71 0.00 0.00 52.55 53.73 2ayy s ASP 745 Cb 0.24 -1.26 -0.04 0.00 1.01 0.00 0.00 42.92 42.88 2ayy s ASP 745 CO 0.23 0.36 -0.03 0.68 0.21 0.00 0.00 175.17 176.63 2ayy s VAL 746 N -0.81 3.90 -0.35 -1.27 -7.23 -1.26 -1.44 120.40 111.93 2ayy s VAL 746 Ca 0.12 -0.86 -0.10 0.00 -1.81 0.00 0.00 61.98 59.33 2ayy s VAL 746 Cb -0.11 -2.78 0.02 0.00 0.56 0.00 0.00 36.38 34.06 2ayy s VAL 746 CO 0.02 0.25 0.18 -0.22 -0.31 0.00 0.00 175.10 175.02 2ayy s LEU 747 N -1.88 4.49 -0.47 1.32 0.20 -0.70 -0.73 118.68 120.91 2ayy s LEU 747 Ca 0.22 -0.84 -0.18 0.00 0.69 0.00 0.00 54.13 54.02 2ayy s LEU 747 Cb -0.11 -2.01 0.05 0.00 -0.43 0.00 0.00 46.19 43.69 2ayy s LEU 747 CO 0.13 -0.32 0.51 -0.63 -0.29 0.00 0.00 176.35 175.76 2ayy s ILE 748 N 1.57 5.03 0.09 6.68 1.01 -0.02 -0.76 121.20 134.80 2ayy s ILE 748 Ca 0.03 -0.58 0.07 0.00 0.00 0.00 0.00 60.65 60.16 2ayy s ILE 748 Cb -0.18 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 2ayy s ILE 748 CO 0.06 -0.63 -0.11 0.42 0.00 0.00 0.00 174.94 174.68 2ayy s THR 749 N 2.24 3.33 0.01 2.92 -4.23 -0.01 -0.56 115.64 119.35 2ayy s THR 749 Ca 0.12 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 2ayy s THR 749 Cb -0.20 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 2ayy s THR 749 CO 0.11 0.14 -0.04 -0.62 -0.54 0.00 0.00 174.62 173.67 2ayy s ASP 750 N -2.11 0.46 1.46 3.99 2.15 -1.06 -0.82 116.67 120.73 2ayy s ASP 750 Ca 0.21 -0.27 0.00 0.00 0.43 0.00 0.00 52.55 52.92 2ayy s ASP 750 Cb -0.11 0.01 0.00 0.00 -0.30 0.00 0.00 42.92 42.52 2ayy s ASP 750 CO 0.13 -0.09 0.00 1.21 -0.17 0.00 0.00 175.17 176.25 2ayy n GLU 751 N 2.34 0.00 -3.71 4.34 0.00 -0.85 -3.64 120.64 119.12 2ayy n GLU 751 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.60 2ayy n GLU 751 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.90 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 3.80 -0.25 6.31 1.01 -1.26 -4.80 120.40 125.22 2ayy s VAL 752 Ca 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 61.98 60.55 2ayy s VAL 752 Cb 0.00 -3.30 0.08 0.00 0.00 0.00 0.00 36.38 33.15 2ayy s VAL 752 CO 0.00 -0.39 0.05 -0.69 0.00 0.00 0.00 175.10 174.07 2ayy s VAL 753 N 1.35 0.85 -1.24 2.92 1.01 -1.26 -5.03 120.40 119.01 2ayy s VAL 753 Ca 0.02 -1.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 2ayy s VAL 753 Cb -0.21 -1.44 -0.09 0.00 0.00 0.00 0.00 36.38 34.63 2ayy s VAL 753 CO 0.01 -0.40 3.02 -1.20 0.00 0.00 0.00 175.10 176.53 2ayy n SER 754 N 4.90 7.94 -3.51 3.32 7.64 -1.26 -4.67 113.62 127.97 2ayy n SER 754 Ca -0.06 -2.64 -0.11 0.00 1.01 0.00 0.00 58.87 57.07 2ayy n SER 754 Cb 0.44 -1.50 -0.10 0.00 -1.01 0.00 0.00 64.21 62.05 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 1.41 0.29 0.05 1.43 -2.85 -1.26 -5.13 119.74 113.68 2ayy s LYS 755 Ca 0.67 0.68 -0.26 0.00 -1.00 0.00 0.00 55.97 56.06 2ayy s LYS 755 Cb 0.21 -0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.69 2ayy s LYS 755 CO -0.06 -0.47 0.81 0.15 0.10 0.00 0.00 175.35 175.89 2ayy s LYS 756 N 2.52 4.54 -0.25 1.78 -0.14 -1.26 -5.02 119.74 121.90 2ayy s LYS 756 Ca 0.06 1.15 -0.19 0.00 -1.36 0.00 0.00 55.97 55.63 2ayy s LYS 756 Cb -0.14 -3.38 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 2ayy s LYS 756 CO -0.13 0.23 0.55 -0.46 -0.76 0.00 0.00 175.35 174.79 2ayy s TRP 757 N 0.08 3.28 -1.00 3.18 -0.11 -1.26 -5.00 118.94 118.11 2ayy s TRP 757 Ca 0.41 0.71 -0.04 0.00 1.22 0.00 0.00 56.10 58.40 2ayy s TRP 757 Cb -0.21 -2.75 0.26 0.00 -1.50 0.00 0.00 33.47 29.27 2ayy s TRP 757 CO 0.24 -0.28 1.04 1.04 -4.62 0.00 0.00 176.95 174.37 2ayy n GLN 758 N 5.52 3.31 0.00 5.86 3.00 -1.26 -4.73 117.38 129.08 2ayy n GLN 758 Ca -0.03 -4.50 0.00 0.00 -0.01 0.00 0.00 57.00 52.46 2ayy n GLN 758 Cb 0.50 -2.47 0.00 0.00 0.00 0.00 0.00 30.24 28.27 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 2.15 3.28 0.00 1.08 0.00 -1.26 -4.61 105.19 105.82 2ayy n GLY 759 Ca 0.24 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -3.55 1.61 3.00 -0.52 -4.70 116.66 112.50 2ayy n ARG 760 Ca 0.00 0.46 -0.12 0.00 -0.00 0.00 0.00 57.85 58.20 2ayy n ARG 760 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 32.46 31.35 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 -3.04 -1.24 -0.26 5.13 0.00 -1.25 -4.80 121.76 116.29 2ayy s ALA 761 Ca 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 2ayy s ALA 761 Cb 0.00 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.87 2ayy s ALA 761 CO 0.00 -0.66 -0.05 0.08 0.00 0.00 0.00 175.76 175.13 2ayy s VAL 762 N -3.55 2.82 -0.81 0.00 1.01 -0.75 -1.72 120.40 117.40 2ayy s VAL 762 Ca 0.01 -1.20 -0.19 0.00 0.00 0.00 0.00 61.98 60.60 2ayy s VAL 762 Cb 0.00 -2.51 0.13 0.00 0.00 0.00 0.00 36.38 34.00 2ayy s VAL 762 CO -0.11 0.08 0.96 -0.69 0.00 0.00 0.00 175.10 175.35 2ayy s VAL 763 N 1.28 4.83 -0.47 2.92 1.01 0.06 -0.72 120.40 129.30 2ayy s VAL 763 Ca -0.02 -1.42 -0.16 0.00 0.00 0.00 0.00 61.98 60.37 2ayy s VAL 763 Cb -0.18 -4.66 0.06 0.00 0.00 0.00 0.00 36.38 31.60 2ayy s VAL 763 CO -0.04 -1.35 0.42 -0.89 0.00 0.00 0.00 175.10 173.24 2ayy s THR 764 N 2.49 5.18 -0.50 3.92 2.01 0.18 -0.83 115.64 128.10 2ayy s THR 764 Ca 0.24 -0.90 -0.17 0.00 0.31 0.00 0.00 61.69 61.17 2ayy s THR 764 Cb -0.11 -4.13 0.07 0.00 0.01 0.00 0.00 72.50 68.34 2ayy s THR 764 CO -0.03 -0.57 0.51 -0.36 -0.69 0.00 0.00 174.62 173.48 2ayy s PHE 765 N 1.81 3.15 0.11 4.92 0.40 -0.00 -2.43 117.98 125.93 2ayy s PHE 765 Ca 0.06 -0.78 -0.04 0.00 -0.60 0.00 0.00 56.93 55.57 2ayy s PHE 765 Cb -0.23 -3.39 -0.03 0.00 0.51 0.00 0.00 43.02 39.89 2ayy s PHE 765 CO 0.08 -0.93 0.11 0.00 0.70 0.00 0.00 175.22 175.18 2ayy n ARG 767 N -0.06 0.65 -4.03 0.00 0.63 -1.26 -3.43 116.66 109.16 2ayy n ARG 767 Ca -0.10 0.11 -0.08 0.00 -0.92 0.00 0.00 57.85 56.86 2ayy n ARG 767 Cb 0.63 -1.68 -0.10 0.00 0.45 0.00 0.00 32.46 31.76 2ayy n ARG 767 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2ayy s ARG 768 N -2.80 0.61 -1.30 -0.14 3.00 -1.26 -5.00 118.95 112.07 2ayy s ARG 768 Ca -0.06 -1.06 -0.16 0.00 0.00 0.00 0.00 55.73 54.44 2ayy s ARG 768 Cb 0.08 0.22 0.10 0.00 0.00 0.00 0.00 34.95 35.35 2ayy s ARG 768 CO 0.83 -0.13 1.73 0.72 0.00 0.00 0.00 175.30 178.45 2ayy n HIS 769 N 0.32 4.53 0.02 -0.53 8.25 -1.26 -4.73 115.22 121.82 2ayy n HIS 769 Ca -0.16 -2.98 -0.19 0.00 -0.26 0.00 0.00 57.72 54.13 2ayy n HIS 769 Cb 0.60 -2.49 -0.11 0.00 1.12 0.00 0.00 29.99 29.12 2ayy n HIS 769 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2ayy h ILE 770 N 5.07 1.35 0.00 1.59 2.04 -1.94 -3.45 117.51 122.17 2ayy h ILE 770 Ca 0.43 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 64.12 2ayy h ILE 770 Cb 0.83 2.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2ayy h ILE 770 CO 1.47 0.65 0.00 0.61 0.00 0.00 0.00 178.15 180.88 2ayy n GLY 771 N 1.08 -0.14 3.73 5.37 0.00 -1.26 -5.07 105.19 108.89 2ayy n GLY 771 Ca -0.11 0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.00 4.44 0.00 -0.61 -1.09 -1.26 -5.05 121.20 115.63 2ayy s ILE 772 Ca 0.00 1.98 0.00 0.00 -2.23 0.00 0.00 60.65 60.40 2ayy s ILE 772 Cb 0.00 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 2ayy s ILE 772 CO 0.00 0.28 0.00 -2.65 -1.23 0.00 0.00 174.94 171.34 2ayy n PRO 773 N 2.91 0.00 -3.89 2.79 -0.02 -1.26 -4.67 135.00 130.86 2ayy n PRO 773 Ca 0.03 0.00 -0.04 0.00 -2.02 0.00 0.00 63.50 61.47 2ayy n PRO 773 Cb 0.49 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.99 2ayy n PRO 773 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 2ayy s LEU 774 N 0.00 0.02 0.00 2.45 2.34 -1.26 -4.82 118.68 117.41 2ayy s LEU 774 Ca 0.00 -0.74 0.00 0.00 0.06 0.00 0.00 54.13 53.45 2ayy s LEU 774 Cb 0.00 2.15 0.00 0.00 -0.56 0.00 0.00 46.19 47.78 2ayy s LEU 774 CO 0.00 -1.07 0.00 1.21 -1.06 0.00 0.00 176.35 175.43 2ayy n GLU 775 N -0.71 0.00 -2.36 1.48 2.13 -1.26 -4.70 120.64 115.21 2ayy n GLU 775 Ca -0.03 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.64 2ayy n GLU 775 Cb 0.59 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.29 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 0.00 -1.98 -3.58 5.31 4.76 -1.26 -4.77 118.16 116.63 2ayy n LYS 776 Ca 0.00 0.76 -0.07 0.00 -2.87 0.00 0.00 58.31 56.14 2ayy n LYS 776 Cb 0.00 -5.37 -0.02 0.00 -1.84 0.00 0.00 35.03 27.81 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 -2.75 -1.79 -1.86 7.82 0.00 -1.26 -5.04 121.76 116.88 2ayy s ALA 777 Ca 0.00 0.76 0.09 0.00 0.00 0.00 0.00 51.96 52.81 2ayy s ALA 777 Cb 0.00 0.46 0.26 0.00 0.00 0.00 0.00 23.12 23.85 2ayy s ALA 777 CO 0.00 -0.80 1.19 -0.35 0.00 0.00 0.00 175.76 175.80 2ayy n PRO 778 N -0.31 1.76 0.00 0.00 -0.04 -1.26 -3.87 135.00 131.28 2ayy n PRO 778 Ca -0.08 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 2ayy n PRO 778 Cb 0.61 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 2ayy n PRO 778 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ayy n GLY 779 N 0.88 0.00 3.44 0.55 0.00 -1.26 -4.93 105.19 103.87 2ayy n GLY 779 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.71 2.65 -0.10 1.61 1.03 -1.25 -1.82 118.70 119.12 2ayy s GLU 780 Ca 0.00 -0.71 0.01 0.00 0.03 0.00 0.00 54.97 54.30 2ayy s GLU 780 Cb 0.00 -2.40 0.02 0.00 -0.80 0.00 0.00 34.13 30.95 2ayy s GLU 780 CO 0.00 0.53 -0.11 -1.58 -1.33 0.00 0.00 175.26 172.77 2ayy s TRP 781 N -0.50 1.62 -0.02 4.83 0.52 0.10 -4.12 118.94 121.37 2ayy s TRP 781 Ca 0.07 -0.73 0.08 0.00 0.02 0.00 0.00 56.10 55.53 2ayy s TRP 781 Cb -0.12 -1.23 -0.02 0.00 -1.15 0.00 0.00 33.47 30.95 2ayy s TRP 781 CO 0.02 -0.43 -0.25 0.54 0.02 0.00 0.00 176.95 176.85 2ayy s VAL 782 N 1.16 2.13 -0.21 4.03 0.11 -1.26 -0.65 120.40 125.70 2ayy s VAL 782 Ca -0.05 -1.08 -0.27 0.00 -2.93 0.00 0.00 61.98 57.65 2ayy s VAL 782 Cb -0.14 -1.74 0.11 0.00 -1.53 0.00 0.00 36.38 33.08 2ayy s VAL 782 CO -0.03 0.58 0.91 -2.28 -3.33 0.00 0.00 175.10 170.96 2ayy s HIS 783 N -0.61 -0.53 0.16 1.54 5.04 -1.02 -4.84 115.29 115.03 2ayy s HIS 783 Ca 0.10 1.15 -0.29 0.00 -1.54 0.00 0.00 55.06 54.48 2ayy s HIS 783 Cb -0.10 0.38 -0.07 0.00 0.04 0.00 0.00 32.58 32.82 2ayy s HIS 783 CO -0.01 -0.34 0.92 -1.12 -2.34 0.00 0.00 174.74 171.85 2ayy s SER 784 N -0.31 7.52 -0.33 9.88 0.01 -1.22 -1.60 113.70 127.65 2ayy s SER 784 Ca -0.01 1.81 -0.28 0.00 1.31 0.00 0.00 55.95 58.78 2ayy s SER 784 Cb -0.03 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.60 2ayy s SER 784 CO -0.00 0.06 1.87 -0.69 0.41 0.00 0.00 173.24 174.89 2ayy s VAL 785 N -0.60 3.39 -0.27 3.43 1.01 -1.26 -4.87 120.40 121.24 2ayy s VAL 785 Ca 0.43 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.79 2ayy s VAL 785 Cb -0.24 -3.56 0.15 0.00 0.00 0.00 0.00 36.38 32.73 2ayy s VAL 785 CO 0.30 -0.37 0.42 0.00 0.00 0.00 0.00 175.10 175.44 2ayy s ALA 786 N 7.32 -1.31 0.20 5.51 0.00 -1.26 -5.01 121.76 127.20 2ayy s ALA 786 Ca 0.82 0.80 0.00 0.00 0.00 0.00 0.00 51.96 53.58 2ayy s ALA 786 Cb -0.23 -1.89 0.00 0.00 0.00 0.00 0.00 23.12 21.00 2ayy s ALA 786 CO 0.33 -1.45 0.00 0.00 0.00 0.00 0.00 175.76 174.64 2ayy n ALA 787 N 5.37 -2.09 -0.02 0.00 0.00 -1.26 -4.46 120.51 118.06 2ayy n ALA 787 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2ayy n ALA 787 Cb 0.50 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.58 0.62 -0.05 0.00 -0.02 -1.26 -3.04 135.00 130.67 2ayy n PRO 788 Ca 0.00 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.41 2ayy n PRO 788 Cb 0.00 -1.19 -0.05 0.00 -0.02 0.00 0.00 33.50 32.24 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 1.37 0.00 -0.01 6.00 -0.00 -1.26 -4.63 115.22 116.69 2ayy n HIS 789 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.55 2ayy n HIS 789 Cb 0.31 -0.42 -0.10 0.00 -0.00 0.00 0.00 29.99 29.79 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 0.00 0.47 0.68 1.57 4.39 -1.76 -3.17 114.58 116.75 2ayy h GLU 790 Ca -0.24 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.00 2ayy h GLU 790 Cb 1.41 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.17 2ayy h GLU 790 CO -0.02 1.08 -0.36 -0.07 -1.16 0.00 0.00 179.01 178.47 2ayy h LEU 791 N 0.01 -0.89 -1.27 1.33 4.07 -1.85 -0.42 115.31 116.30 2ayy h LEU 791 Ca -0.06 0.04 -0.06 0.00 0.08 0.00 0.00 57.88 57.88 2ayy h LEU 791 Cb 1.23 0.25 -0.01 0.00 1.08 0.00 0.00 40.66 43.20 2ayy h LEU 791 CO 0.11 -0.59 -0.15 -0.65 -1.08 0.00 0.00 178.44 176.08 2ayy h PRO 792 N -0.96 0.32 -0.03 1.13 0.11 -1.82 -1.41 132.00 129.33 2ayy h PRO 792 Ca -0.09 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.93 2ayy h PRO 792 Cb 0.76 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.83 2ayy h PRO 792 CO 0.12 0.47 -0.02 0.00 -0.21 0.00 0.00 178.00 178.36 2ayy h ALA 793 N 1.55 0.05 -0.79 -0.75 0.00 -1.50 -1.77 119.26 116.04 2ayy h ALA 793 Ca 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2ayy h ALA 793 Cb 0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 2ayy h ALA 793 CO 0.03 -0.22 0.48 -0.07 0.00 0.00 0.00 179.25 179.47 2ayy h LEU 794 N -0.35 0.95 -0.14 0.00 4.07 -0.90 -0.07 115.31 118.88 2ayy h LEU 794 Ca 0.01 -0.06 -0.00 0.00 0.08 0.00 0.00 57.88 57.90 2ayy h LEU 794 Cb 0.46 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.96 2ayy h LEU 794 CO 0.01 0.74 0.08 -0.07 -1.08 0.00 0.00 178.44 178.12 2ayy h LEU 795 N 1.09 0.17 -1.09 1.67 -0.00 -1.24 -0.33 115.31 115.57 2ayy h LEU 795 Ca 0.28 -0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 58.06 2ayy h LEU 795 Cb -0.04 -0.04 -0.02 0.00 -0.00 0.00 0.00 40.66 40.56 2ayy h LEU 795 CO -0.05 0.16 0.02 0.00 -0.00 0.00 0.00 178.44 178.57 2ayy h ALA 796 N 1.01 1.25 -0.47 1.53 0.00 -1.02 -2.26 119.26 119.30 2ayy h ALA 796 Ca 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 2ayy h ALA 796 Cb 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2ayy h ALA 796 CO -0.01 0.50 -0.03 -0.09 0.00 0.00 0.00 179.25 179.62 2ayy h ARG 797 N 0.63 0.81 -0.40 0.00 2.43 -0.60 0.40 114.38 117.65 2ayy h ARG 797 Ca 0.13 -0.23 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 2ayy h ARG 797 Cb 0.37 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2ayy h ARG 797 CO 0.01 0.83 0.15 0.82 -1.51 0.00 0.00 179.97 180.28 2ayy h ILE 798 N 0.74 1.20 -0.35 1.20 2.04 -0.50 -2.50 117.51 119.35 2ayy h ILE 798 Ca 0.14 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2ayy h ILE 798 Cb 0.50 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 2ayy h ILE 798 CO 0.03 0.23 0.00 -1.22 0.00 0.00 0.00 178.15 177.18 2ayy n TYR 799 N -4.64 0.56 -3.75 1.37 4.01 -0.99 -4.90 117.16 108.82 2ayy n TYR 799 Ca -0.00 -0.26 -0.27 0.00 -0.16 0.00 0.00 57.90 57.21 2ayy n TYR 799 Cb 0.15 -0.04 0.05 0.00 -0.31 0.00 0.00 39.34 39.19 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 0.53 -3.00 0.00 7.72 4.77 -0.64 -4.95 117.00 121.42 2ayy n LEU 800 Ca 0.12 -0.68 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 2ayy n LEU 800 Cb 0.36 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.66 2ayy n LEU 800 CO 0.09 0.54 0.03 -0.38 -1.33 0.00 0.00 177.39 176.35 2ayy n ILE 801 N -4.78 0.00 0.00 -0.08 2.08 0.13 -5.01 119.36 111.70 2ayy n ILE 801 Ca -0.00 0.16 0.00 0.00 0.56 0.00 0.00 62.75 63.47 2ayy n ILE 801 Cb 0.55 -0.35 0.00 0.00 -0.75 0.00 0.00 39.64 39.09 2ayy n ILE 801 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2ayy n GLU 802 N -0.36 0.00 -2.11 0.38 1.02 -1.26 -5.05 120.64 113.27 2ayy n GLU 802 Ca 0.00 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.73 2ayy n GLU 802 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 2ayy n GLU 802 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2ayy s MET 803 N -1.88 4.31 -0.07 3.49 -1.94 -1.26 -4.95 119.30 117.01 2ayy s MET 803 Ca 0.00 2.21 -0.11 0.00 -1.71 0.00 0.00 55.69 56.08 2ayy s MET 803 Cb 0.00 -3.04 0.02 0.00 2.01 0.00 0.00 34.83 33.83 2ayy s MET 803 CO 0.00 -0.22 0.27 -2.00 -0.01 0.00 0.00 175.02 173.06 2ayy s GLU 804 N -1.85 0.43 -0.38 2.03 2.56 -1.26 -3.36 118.70 116.88 2ayy s GLU 804 Ca 0.50 0.15 -0.19 0.00 0.00 0.00 0.00 54.97 55.42 2ayy s GLU 804 Cb -0.40 0.20 0.01 0.00 2.00 0.00 0.00 34.13 35.94 2ayy s GLU 804 CO 0.53 -0.08 0.56 -1.54 -0.56 0.00 0.00 175.26 174.16 2ayy s SER 805 N -0.41 6.33 0.14 -1.70 1.04 -1.26 -5.02 113.70 112.82 2ayy s SER 805 Ca -0.05 -0.12 0.06 0.00 0.48 0.00 0.00 55.95 56.31 2ayy s SER 805 Cb -0.03 -2.29 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 2ayy s SER 805 CO 0.01 -0.58 0.05 -0.62 0.98 0.00 0.00 173.24 173.09 2ayy s ASP 806 N 1.83 5.14 -0.39 7.02 2.15 -1.26 -5.09 116.67 126.06 2ayy s ASP 806 Ca 0.20 -0.22 0.07 0.00 0.43 0.00 0.00 52.55 53.03 2ayy s ASP 806 Cb -0.15 -1.24 0.18 0.00 -0.30 0.00 0.00 42.92 41.41 2ayy s ASP 806 CO 0.15 0.11 0.60 -0.62 -0.17 0.00 0.00 175.17 175.24 2ayy s ASP 807 N -2.80 -1.30 -0.58 -0.34 2.15 -1.26 -5.12 116.67 107.42 2ayy s ASP 807 Ca 0.28 -0.75 -0.24 0.00 0.43 0.00 0.00 52.55 52.27 2ayy s ASP 807 Cb -0.10 1.85 0.05 0.00 -0.30 0.00 0.00 42.92 44.41 2ayy s ASP 807 CO 0.20 -0.19 0.96 -2.16 -0.17 0.00 0.00 175.17 173.81 2ayy s PRO 808 N 1.91 3.27 -0.50 4.34 0.05 -1.26 -5.01 135.00 137.81 2ayy s PRO 808 Ca 0.15 -0.41 -0.23 0.00 0.05 0.00 0.00 61.00 60.57 2ayy s PRO 808 Cb -0.06 -4.10 0.04 0.00 0.05 0.00 0.00 34.50 30.43 2ayy s PRO 808 CO -0.09 -1.59 0.82 0.00 0.05 0.00 0.00 177.00 176.19 2ayy s ALA 809 N 4.04 3.25 -1.10 8.56 0.00 -1.26 -4.97 121.76 130.28 2ayy s ALA 809 Ca 0.28 -1.21 -0.07 0.00 0.00 0.00 0.00 51.96 50.97 2ayy s ALA 809 Cb -0.13 -3.56 0.29 0.00 0.00 0.00 0.00 23.12 19.72 2ayy s ALA 809 CO 0.17 -2.12 1.29 -1.71 0.00 0.00 0.00 175.76 173.39 2ayy n ASN 810 N 6.94 5.94 -4.17 0.00 2.85 -1.26 -4.97 115.26 120.58 2ayy n ASN 810 Ca 0.01 -3.21 -0.39 0.00 -0.11 0.00 0.00 54.58 50.88 2ayy n ASN 810 Cb 0.47 -1.33 -0.10 0.00 1.24 0.00 0.00 39.78 40.07 2ayy n ASN 810 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayy s ALA 811 N -1.96 3.32 -0.26 5.20 0.00 -1.26 -5.04 121.76 121.76 2ayy s ALA 811 Ca 0.31 -2.59 -0.01 0.00 0.00 0.00 0.00 51.96 49.67 2ayy s ALA 811 Cb -0.03 -2.66 0.04 0.00 0.00 0.00 0.00 23.12 20.47 2ayy s ALA 811 CO 0.01 -1.88 -0.07 -1.17 0.00 0.00 0.00 175.76 172.65 2ayy s LEU 812 N 1.17 3.34 0.10 0.00 2.96 -1.26 -5.10 118.68 119.89 2ayy s LEU 812 Ca 0.08 -1.06 -0.31 0.00 -0.22 0.00 0.00 54.13 52.62 2ayy s LEU 812 Cb -0.24 -1.64 -0.07 0.00 0.50 0.00 0.00 46.19 44.73 2ayy s LEU 812 CO -0.02 -0.16 1.32 -2.16 -1.32 0.00 0.00 176.35 174.01 2ayy s PRO 813 N 1.26 4.36 -1.00 0.98 0.04 -1.26 -4.95 135.00 134.42 2ayy s PRO 813 Ca -0.03 1.97 -0.23 0.00 0.04 0.00 0.00 61.00 62.75 2ayy s PRO 813 Cb -0.18 -3.28 0.04 0.00 0.04 0.00 0.00 34.50 31.12 2ayy s PRO 813 CO -0.04 -0.37 1.49 -1.12 0.04 0.00 0.00 177.00 177.00 2ayy s SER 814 N 1.07 6.37 -1.21 6.66 0.01 -1.26 -4.92 113.70 120.42 2ayy s SER 814 Ca 0.62 -1.36 -0.19 0.00 1.31 0.00 0.00 55.95 56.33 2ayy s SER 814 Cb -0.34 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.30 2ayy s SER 814 CO 0.30 -1.63 1.92 0.41 0.41 0.00 0.00 173.24 174.65 2ayy n THR 815 N 6.98 2.93 1.33 1.44 -1.04 -1.26 -5.37 114.28 119.28 2ayy n THR 815 Ca 0.33 -2.89 0.13 0.00 -2.04 0.00 0.00 64.05 59.59 2ayy n THR 815 Cb 0.51 -2.35 0.38 0.00 -1.82 0.00 0.00 70.33 67.05 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76