#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 3.29 0.00 3.17 0.00 -1.26 -5.15 105.19 105.25 2ayy n GLY 697 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 0.74 0.65 3.61 -0.02 0.00 -1.26 -5.15 105.19 103.76 2ayy n GLY 698 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.97 -0.29 1.61 0.01 -1.26 -5.10 113.70 113.65 2ayy s SER 699 Ca 0.00 0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.14 2ayy s SER 699 Cb 0.00 -1.45 0.11 0.00 0.21 0.00 0.00 66.02 64.89 2ayy s SER 699 CO 0.00 0.33 0.81 -0.83 0.41 0.00 0.00 173.24 173.96 2ayy s GLY 700 N -0.59 -0.37 -0.14 3.44 0.00 -1.26 -5.15 107.32 103.24 2ayy s GLY 700 Ca 0.09 2.73 -0.05 0.00 0.00 0.00 0.00 44.72 47.49 2ayy s GLY 700 CO 0.02 2.54 0.30 0.54 0.00 0.00 0.00 173.10 176.50 2ayy s VAL 701 N 1.61 -0.42 -0.06 1.40 0.11 -1.26 -5.13 120.40 116.65 2ayy s VAL 701 Ca -0.09 0.25 -0.01 0.00 -2.93 0.00 0.00 61.98 59.19 2ayy s VAL 701 Cb -0.05 -0.49 0.03 0.00 -1.53 0.00 0.00 36.38 34.34 2ayy s VAL 701 CO -0.18 0.10 0.00 -1.61 -3.33 0.00 0.00 175.10 170.09 2ayy s GLU 702 N 2.34 0.51 0.09 1.54 8.01 -1.26 -5.15 118.70 124.78 2ayy s GLU 702 Ca -0.00 0.11 0.03 0.00 0.01 0.00 0.00 54.97 55.12 2ayy s GLU 702 Cb -0.12 -0.84 -0.04 0.00 -4.31 0.00 0.00 34.13 28.83 2ayy s GLU 702 CO -0.09 -0.26 0.09 0.20 0.01 0.00 0.00 175.26 175.21 2ayy s GLY 703 N 1.75 2.00 -0.21 -1.39 0.00 -1.26 -5.10 107.32 103.12 2ayy s GLY 703 Ca 0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 44.72 43.61 2ayy s GLY 703 CO -0.04 -1.01 0.13 1.08 0.00 0.00 0.00 173.10 173.26 2ayy s LEU 704 N -2.46 4.14 -1.00 0.66 1.02 -1.26 -5.02 118.68 114.75 2ayy s LEU 704 Ca 0.30 0.19 -0.02 0.00 0.02 0.00 0.00 54.13 54.61 2ayy s LEU 704 Cb -0.12 -2.08 0.30 0.00 0.02 0.00 0.00 46.19 44.31 2ayy s LEU 704 CO 0.22 0.16 1.35 -1.20 0.02 0.00 0.00 176.35 176.90 2ayy n SER 705 N 3.67 5.95 -4.25 2.29 7.64 -1.26 -4.99 113.62 122.67 2ayy n SER 705 Ca -0.16 -3.41 -0.36 0.00 1.01 0.00 0.00 58.87 55.95 2ayy n SER 705 Cb 0.52 -1.17 -0.14 0.00 -1.01 0.00 0.00 64.21 62.42 2ayy n SER 705 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ayy s GLY 706 N -1.83 1.71 0.48 0.23 0.00 -1.26 -4.95 107.32 101.69 2ayy s GLY 706 Ca 0.32 -1.50 -0.24 0.00 0.00 0.00 0.00 44.72 43.30 2ayy s GLY 706 CO 0.08 0.59 1.41 0.54 0.00 0.00 0.00 173.10 175.72 2ayy s LYS 707 N 1.38 3.53 -0.01 2.90 1.02 -1.26 -4.59 119.74 122.71 2ayy s LYS 707 Ca 0.00 2.37 -0.06 0.00 0.02 0.00 0.00 55.97 58.30 2ayy s LYS 707 Cb -0.17 -2.54 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 2ayy s LYS 707 CO -0.01 -0.92 0.23 0.50 -0.92 0.00 0.00 175.35 174.23 2ayy s ARG 708 N -2.58 3.54 -0.04 1.68 3.52 -1.26 -0.72 118.95 123.09 2ayy s ARG 708 Ca 0.64 -0.13 -0.03 0.00 -0.13 0.00 0.00 55.73 56.08 2ayy s ARG 708 Cb -0.43 -3.10 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 2ayy s ARG 708 CO 0.54 0.67 0.09 0.00 -0.81 0.00 0.00 175.30 175.79 2ayy s TRP 710 N 0.19 3.14 -0.19 0.00 0.52 -0.59 -0.75 118.94 121.26 2ayy s TRP 710 Ca -0.01 -0.27 -0.03 0.00 0.02 0.00 0.00 56.10 55.80 2ayy s TRP 710 Cb -0.02 -2.30 -0.01 0.00 -1.15 0.00 0.00 33.47 29.98 2ayy s TRP 710 CO -0.01 -0.31 -0.06 -1.17 0.02 0.00 0.00 176.95 175.43 2ayy s LEU 711 N 1.66 2.96 -0.54 2.99 0.20 0.09 -0.74 118.68 125.29 2ayy s LEU 711 Ca 0.06 -0.31 0.07 0.00 0.69 0.00 0.00 54.13 54.64 2ayy s LEU 711 Cb -0.16 -1.73 0.28 0.00 -0.43 0.00 0.00 46.19 44.15 2ayy s LEU 711 CO 0.06 0.06 0.74 0.00 -0.29 0.00 0.00 176.35 176.92 2ayy n ALA 712 N 4.25 3.60 -2.73 5.97 0.00 0.25 -0.89 120.51 130.96 2ayy n ALA 712 Ca -0.18 -4.30 -0.36 0.00 0.00 0.00 0.00 53.44 48.61 2ayy n ALA 712 Cb 0.52 -0.85 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.59 5.34 0.01 0.00 1.01 -1.26 -2.54 120.40 120.36 2ayy s VAL 713 Ca 0.41 0.42 -0.17 0.00 0.00 0.00 0.00 61.98 62.64 2ayy s VAL 713 Cb 0.20 -3.57 -0.35 0.00 0.00 0.00 0.00 36.38 32.66 2ayy s VAL 713 CO -0.07 0.42 0.95 0.03 0.00 0.00 0.00 175.10 176.43 2ayy h ARG 714 N 6.59 0.48 -6.07 2.72 3.08 -1.97 -3.42 114.38 115.80 2ayy h ARG 714 Ca -0.42 -0.83 -0.52 0.00 0.07 0.00 0.00 59.98 58.29 2ayy h ARG 714 Cb 1.16 0.31 -0.04 0.00 0.08 0.00 0.00 29.97 31.48 2ayy h ARG 714 CO 0.75 1.40 1.32 1.21 -1.07 0.00 0.00 179.97 183.57 2ayy s ASN 715 N -7.44 5.46 0.22 7.04 3.84 -1.26 -4.86 114.94 117.93 2ayy s ASN 715 Ca -0.11 0.47 -0.08 0.00 0.21 0.00 0.00 52.86 53.36 2ayy s ASN 715 Cb 0.03 -2.53 0.26 0.00 -0.55 0.00 0.00 41.25 38.47 2ayy s ASN 715 CO 0.92 -2.21 1.84 0.00 -2.79 0.00 0.00 177.10 174.86 2ayy h ALA 716 N 14.22 1.01 -0.64 1.71 0.00 -1.99 0.25 119.26 133.83 2ayy h ALA 716 Ca -0.27 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.64 2ayy h ALA 716 Cb 1.16 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2ayy h ALA 716 CO 1.19 0.19 0.42 0.77 0.00 0.00 0.00 179.25 181.81 2ayy h SER 717 N 0.85 0.74 -0.32 0.00 0.02 -1.98 -0.30 113.55 112.56 2ayy h SER 717 Ca 0.32 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 2ayy h SER 717 Cb 0.13 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2ayy h SER 717 CO -0.16 0.54 -0.27 0.25 -1.14 0.00 0.00 176.83 176.05 2ayy h LEU 718 N 0.87 0.80 -0.08 5.07 7.12 -1.75 -2.54 115.31 124.80 2ayy h LEU 718 Ca 0.23 -0.45 0.03 0.00 0.13 0.00 0.00 57.88 57.82 2ayy h LEU 718 Cb -0.09 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 39.78 2ayy h LEU 718 CO -0.05 1.09 -0.08 0.00 -0.13 0.00 0.00 178.44 179.26 2ayy h GLN 720 N -0.11 0.94 0.24 0.00 7.50 -1.07 -1.20 115.11 121.42 2ayy h GLN 720 Ca 0.06 -0.19 -0.01 0.00 0.50 0.00 0.00 58.65 59.01 2ayy h GLN 720 Cb 0.20 -0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.58 2ayy h GLN 720 CO -0.15 0.82 -0.11 0.74 -1.50 0.00 0.00 178.83 178.62 2ayy h PHE 721 N 0.91 -0.29 -0.42 2.96 -1.00 -1.11 -2.62 116.94 115.36 2ayy h PHE 721 Ca 0.20 -0.01 -0.13 0.00 2.81 0.00 0.00 57.97 60.84 2ayy h PHE 721 Cb 0.28 0.10 -0.01 0.00 3.61 0.00 0.00 35.95 39.92 2ayy h PHE 721 CO 0.02 -0.03 -0.27 1.37 -1.61 0.00 0.00 178.31 177.80 2ayy h LEU 722 N -0.54 0.92 -0.58 1.54 8.10 -1.22 -2.34 115.31 121.20 2ayy h LEU 722 Ca -0.03 -0.36 -0.05 0.00 0.11 0.00 0.00 57.88 57.55 2ayy h LEU 722 Cb 0.40 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.34 2ayy h LEU 722 CO 0.05 1.13 0.17 1.05 -4.11 0.00 0.00 178.44 176.74 2ayy h GLU 723 N 0.76 0.90 -0.37 0.17 4.11 -1.25 -0.22 114.58 118.68 2ayy h GLU 723 Ca 0.09 -0.20 -0.15 0.00 0.07 0.00 0.00 59.36 59.18 2ayy h GLU 723 Cb 0.83 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2ayy h GLU 723 CO 0.07 0.81 -0.35 1.15 0.07 0.00 0.00 179.01 180.77 2ayy h THR 724 N 0.81 1.28 -0.34 -1.06 2.02 -1.43 -1.20 112.91 112.98 2ayy h THR 724 Ca 0.18 -1.51 -0.08 0.00 0.77 0.00 0.00 66.41 65.77 2ayy h THR 724 Cb 0.29 1.35 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2ayy h THR 724 CO -0.00 0.50 -0.10 0.28 0.37 0.00 0.00 175.52 176.57 2ayy h SER 725 N 0.71 0.68 0.66 4.18 0.02 -1.18 -3.07 113.55 115.56 2ayy h SER 725 Ca 0.07 -0.37 -0.13 0.00 -0.84 0.00 0.00 61.79 60.52 2ayy h SER 725 Cb 0.91 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 2ayy h SER 725 CO 0.08 0.90 -0.61 0.25 -1.14 0.00 0.00 176.83 176.32 2ayy h LEU 726 N 0.46 0.00 -0.36 5.07 5.85 -1.01 -2.95 115.31 122.37 2ayy h LEU 726 Ca 0.09 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2ayy h LEU 726 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2ayy h LEU 726 CO 0.04 0.61 0.00 0.00 -0.34 0.00 0.00 178.44 178.75 2ayy n GLN 727 N -3.76 0.07 0.28 1.25 1.13 -0.46 -1.88 117.38 114.02 2ayy n GLN 727 Ca -0.01 0.38 0.14 0.00 -1.94 0.00 0.00 57.00 55.57 2ayy n GLN 727 Cb 0.62 -1.66 0.82 0.00 0.11 0.00 0.00 30.24 30.13 2ayy n GLN 727 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2ayy h ARG 728 N 0.00 0.00 -0.00 -1.09 2.47 -1.54 -0.59 114.38 113.63 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 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.54 2ayy h ARG 728 CO 0.00 0.06 -0.03 0.45 0.56 0.00 0.00 179.97 181.00 2ayy n SER 729 N -3.80 0.09 0.00 7.04 2.88 -0.79 -4.87 113.62 114.17 2ayy n SER 729 Ca -0.02 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 2ayy n SER 729 Cb 0.15 -0.27 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 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 1.32 0.73 3.73 0.46 0.00 -0.23 -5.01 105.19 106.20 2ayy n GLY 730 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 2ayy n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 731 N -2.85 3.77 -0.16 -0.61 1.01 -1.26 -4.47 121.20 116.64 2ayy s ILE 731 Ca 0.00 1.43 -0.18 0.00 0.00 0.00 0.00 60.65 61.91 2ayy s ILE 731 Cb 0.00 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 2ayy s ILE 731 CO 0.00 0.20 0.48 0.54 0.00 0.00 0.00 174.94 176.16 2ayy s VAL 732 N 0.19 5.17 -0.20 2.92 0.11 0.10 -4.40 120.40 124.28 2ayy s VAL 732 Ca 0.53 0.91 -0.08 0.00 -2.93 0.00 0.00 61.98 60.42 2ayy s VAL 732 Cb -0.31 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 30.69 2ayy s VAL 732 CO 0.34 0.27 0.09 0.54 -3.33 0.00 0.00 175.10 173.01 2ayy s VAL 733 N 1.03 4.94 -0.04 2.04 0.11 -1.26 -1.80 120.40 125.42 2ayy s VAL 733 Ca 0.24 0.02 0.06 0.00 -2.93 0.00 0.00 61.98 59.37 2ayy s VAL 733 Cb -0.15 -3.25 -0.01 0.00 -1.53 0.00 0.00 36.38 31.44 2ayy s VAL 733 CO 0.10 0.44 -0.22 -0.89 -3.33 0.00 0.00 175.10 171.19 2ayy s THR 734 N 0.53 1.79 -0.04 5.04 2.01 0.07 -4.97 115.64 120.08 2ayy s THR 734 Ca 0.05 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.82 2ayy s THR 734 Cb -0.12 -1.52 -0.05 0.00 0.01 0.00 0.00 72.50 70.81 2ayy s THR 734 CO 0.01 0.51 1.55 -0.89 -0.69 0.00 0.00 174.62 175.10 2ayy s THR 735 N -0.18 3.62 -0.73 -0.82 2.01 -1.26 -0.73 115.64 117.55 2ayy s THR 735 Ca -0.01 0.87 -0.23 0.00 0.31 0.00 0.00 61.69 62.63 2ayy s THR 735 Cb -0.12 -3.56 0.07 0.00 0.01 0.00 0.00 72.50 68.90 2ayy s THR 735 CO 0.02 -0.05 1.07 -0.47 -0.69 0.00 0.00 174.62 174.50 2ayy s TYR 736 N 3.36 2.65 -0.18 4.92 5.04 -0.07 -4.79 117.35 128.28 2ayy s TYR 736 Ca 0.69 -0.59 0.20 0.00 -2.44 0.00 0.00 57.07 54.93 2ayy s TYR 736 Cb -0.32 -4.38 -0.06 0.00 0.35 0.00 0.00 41.96 37.55 2ayy s TYR 736 CO 0.27 -1.72 0.94 0.39 -1.34 0.00 0.00 175.55 174.09 2ayy n GLU 737 N 7.93 0.61 0.00 4.97 -0.58 -1.26 -4.57 120.64 127.74 2ayy n GLU 737 Ca 0.03 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2ayy n GLU 737 Cb 0.47 -1.81 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 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 1.27 0.56 0.00 0.62 0.00 -1.26 -5.13 105.19 101.26 2ayy n GLY 738 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.74 1.61 3.00 -1.26 -5.06 117.38 111.93 2ayy n GLN 739 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.85 2ayy n GLN 739 Cb 0.00 -0.10 -0.14 0.00 0.00 0.00 0.00 30.24 30.00 2ayy n GLN 739 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ayy s GLU 740 N 0.00 0.10 -0.17 -1.09 2.12 -1.26 -5.13 118.70 113.26 2ayy s GLU 740 Ca 0.00 0.39 -0.25 0.00 0.36 0.00 0.00 54.97 55.47 2ayy s GLU 740 Cb 0.00 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.20 2ayy s GLU 740 CO 0.00 -0.17 0.82 -1.25 -0.54 0.00 0.00 175.26 174.12 2ayy s PRO 741 N 1.20 4.29 -0.11 4.30 0.05 -1.26 -5.07 135.00 138.41 2ayy s PRO 741 Ca -0.09 1.00 -0.03 0.00 0.05 0.00 0.00 61.00 61.93 2ayy s PRO 741 Cb -0.12 -3.57 -0.03 0.00 0.05 0.00 0.00 34.50 30.83 2ayy s PRO 741 CO -0.06 -0.32 0.01 0.99 0.05 0.00 0.00 177.00 177.66 2ayy s THR 742 N 2.13 4.32 0.30 1.26 2.01 -1.26 -4.81 115.64 119.59 2ayy s THR 742 Ca 0.38 -0.23 0.35 0.00 0.31 0.00 0.00 61.69 62.50 2ayy s THR 742 Cb -0.17 -2.85 0.36 0.00 0.01 0.00 0.00 72.50 69.85 2ayy s THR 742 CO 0.12 0.57 2.08 -0.65 -0.69 0.00 0.00 174.62 176.06 2ayy h PRO 743 N 5.61 0.00 -0.30 4.92 0.11 -1.87 -0.52 132.00 139.95 2ayy h PRO 743 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ayy h PRO 743 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ayy h PRO 743 CO 0.58 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.76 2ayy n GLU 744 N -2.76 2.45 -4.25 1.05 -0.58 -1.26 -1.85 120.64 113.44 2ayy n GLU 744 Ca -0.02 -1.92 -0.24 0.00 -0.42 0.00 0.00 57.16 54.56 2ayy n GLU 744 Cb 0.07 -1.27 -0.07 0.00 -0.57 0.00 0.00 31.44 29.60 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 -1.00 4.69 0.10 1.62 1.11 -0.20 -4.81 116.67 118.18 2ayy s ASP 745 Ca 0.22 -0.52 0.09 0.00 0.18 0.00 0.00 52.55 52.53 2ayy s ASP 745 Cb 0.12 -0.95 -0.04 0.00 1.07 0.00 0.00 42.92 43.13 2ayy s ASP 745 CO 0.16 0.03 -0.22 0.68 1.18 0.00 0.00 175.17 177.01 2ayy s VAL 746 N -2.07 2.57 -0.42 -1.27 -7.23 -1.26 -1.29 120.40 109.44 2ayy s VAL 746 Ca 0.30 -1.51 -0.13 0.00 -1.81 0.00 0.00 61.98 58.83 2ayy s VAL 746 Cb -0.08 -2.13 0.04 0.00 0.56 0.00 0.00 36.38 34.78 2ayy s VAL 746 CO 0.20 0.17 0.30 -0.22 -0.31 0.00 0.00 175.10 175.24 2ayy s LEU 747 N -1.88 5.16 -0.43 1.32 0.20 -0.75 -1.55 118.68 120.76 2ayy s LEU 747 Ca 0.15 -1.11 -0.16 0.00 0.69 0.00 0.00 54.13 53.71 2ayy s LEU 747 Cb -0.10 -2.11 0.03 0.00 -0.43 0.00 0.00 46.19 43.58 2ayy s LEU 747 CO 0.07 -0.50 0.36 -0.63 -0.29 0.00 0.00 176.35 175.37 2ayy s ILE 748 N 1.61 5.20 0.15 6.68 1.01 0.08 -0.64 121.20 135.28 2ayy s ILE 748 Ca 0.04 -0.66 0.10 0.00 0.00 0.00 0.00 60.65 60.12 2ayy s ILE 748 Cb -0.21 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 2ayy s ILE 748 CO 0.07 -0.41 -0.22 0.42 0.00 0.00 0.00 174.94 174.80 2ayy s THR 749 N 1.81 2.01 0.08 2.92 -4.23 0.14 -0.58 115.64 117.80 2ayy s THR 749 Ca 0.07 -1.82 0.07 0.00 -1.18 0.00 0.00 61.69 58.83 2ayy s THR 749 Cb -0.20 -1.87 -0.03 0.00 1.34 0.00 0.00 72.50 71.74 2ayy s THR 749 CO 0.10 -0.12 -0.17 -0.62 -0.54 0.00 0.00 174.62 173.27 2ayy s ASP 750 N -2.35 2.08 0.41 3.99 2.15 -1.05 -1.48 116.67 120.42 2ayy s ASP 750 Ca 0.14 -0.63 0.00 0.00 0.43 0.00 0.00 52.55 52.49 2ayy s ASP 750 Cb -0.08 -0.10 0.00 0.00 -0.30 0.00 0.00 42.92 42.44 2ayy s ASP 750 CO 0.07 -0.00 0.00 1.21 -0.17 0.00 0.00 175.17 176.28 2ayy n GLU 751 N 1.25 0.00 -3.26 4.34 2.13 -0.15 -4.26 120.64 120.70 2ayy n GLU 751 Ca -0.20 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.20 2ayy n GLU 751 Cb 0.54 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.17 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 5.03 0.09 6.31 1.01 -1.26 -4.65 120.40 126.94 2ayy s VAL 752 Ca 0.00 0.21 0.07 0.00 0.00 0.00 0.00 61.98 62.26 2ayy s VAL 752 Cb 0.00 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2ayy s VAL 752 CO 0.00 -0.25 -0.19 0.68 0.00 0.00 0.00 175.10 175.34 2ayy s VAL 753 N 2.34 1.55 -0.29 2.92 -7.23 -1.26 -5.04 120.40 113.39 2ayy s VAL 753 Ca 0.17 -1.49 0.08 0.00 -1.81 0.00 0.00 61.98 58.94 2ayy s VAL 753 Cb -0.16 -1.43 0.46 0.00 0.56 0.00 0.00 36.38 35.81 2ayy s VAL 753 CO 0.13 -0.11 1.32 -1.20 -0.31 0.00 0.00 175.10 174.94 2ayy n SER 754 N 1.12 3.54 -4.32 4.85 7.64 -1.26 -4.38 113.62 120.81 2ayy n SER 754 Ca -0.20 -3.81 -0.32 0.00 1.01 0.00 0.00 58.87 55.55 2ayy n SER 754 Cb 0.54 -0.51 -0.16 0.00 -1.01 0.00 0.00 64.21 63.07 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 -3.43 2.59 0.44 1.43 3.01 -1.26 -5.11 119.74 117.41 2ayy s LYS 755 Ca 0.47 -0.85 0.08 0.00 -1.01 0.00 0.00 55.97 54.66 2ayy s LYS 755 Cb 0.40 -2.24 0.00 0.00 -1.01 0.00 0.00 37.83 34.98 2ayy s LYS 755 CO -0.01 0.42 0.48 0.15 0.51 0.00 0.00 175.35 176.90 2ayy s LYS 756 N -0.25 2.61 -0.01 1.68 -0.14 -1.26 -4.81 119.74 117.55 2ayy s LYS 756 Ca -0.00 -1.46 0.08 0.00 -1.36 0.00 0.00 55.97 53.22 2ayy s LYS 756 Cb -0.13 -2.52 -0.02 0.00 -1.68 0.00 0.00 37.83 33.48 2ayy s LYS 756 CO 0.03 -0.29 -0.25 -0.46 -0.76 0.00 0.00 175.35 173.62 2ayy s TRP 757 N -2.46 2.24 -0.58 3.18 -0.00 -1.26 -5.05 118.94 115.01 2ayy s TRP 757 Ca 0.51 -0.42 0.06 0.00 -0.00 0.00 0.00 56.10 56.25 2ayy s TRP 757 Cb -0.06 -1.43 0.27 0.00 -0.00 0.00 0.00 33.47 32.25 2ayy s TRP 757 CO 0.30 -0.02 0.75 0.94 -0.00 0.00 0.00 176.95 178.92 2ayy n GLN 758 N 2.39 2.31 0.00 5.86 -0.06 -1.26 -5.02 117.38 121.60 2ayy n GLN 758 Ca -0.16 -4.43 0.00 0.00 -2.00 0.00 0.00 57.00 50.41 2ayy n GLN 758 Cb 0.51 -2.07 0.00 0.00 -4.06 0.00 0.00 30.24 24.63 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ayy n GLY 759 N 0.72 3.70 0.00 1.69 0.00 -1.26 -4.04 105.19 106.01 2ayy n GLY 759 Ca 0.29 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.88 1.61 0.63 -0.41 -4.78 116.66 109.83 2ayy n ARG 760 Ca 0.00 0.38 -0.09 0.00 -0.92 0.00 0.00 57.85 57.22 2ayy n ARG 760 Cb 0.00 -1.10 -0.06 0.00 0.45 0.00 0.00 32.46 31.74 2ayy n ARG 760 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ayy s ALA 761 N -3.02 -0.29 0.00 5.13 0.00 -1.25 -5.00 121.76 117.33 2ayy s ALA 761 Ca 0.00 -0.65 0.08 0.00 0.00 0.00 0.00 51.96 51.38 2ayy s ALA 761 Cb 0.00 0.80 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 2ayy s ALA 761 CO 0.00 -0.66 -0.25 0.08 0.00 0.00 0.00 175.76 174.93 2ayy s VAL 762 N -3.92 1.95 -0.30 0.00 1.01 -0.96 -1.81 120.40 116.37 2ayy s VAL 762 Ca 0.13 -1.13 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 2ayy s VAL 762 Cb 0.03 -1.63 0.10 0.00 0.00 0.00 0.00 36.38 34.87 2ayy s VAL 762 CO -0.03 0.48 0.09 -0.69 0.00 0.00 0.00 175.10 174.94 2ayy s VAL 763 N -0.64 0.93 -0.23 2.92 1.01 0.18 -0.59 120.40 123.98 2ayy s VAL 763 Ca 0.10 -1.38 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 2ayy s VAL 763 Cb -0.09 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2ayy s VAL 763 CO -0.00 -0.63 -0.01 -0.89 0.00 0.00 0.00 175.10 173.57 2ayy s THR 764 N 1.60 3.59 -0.37 3.92 2.01 0.11 -0.68 115.64 125.81 2ayy s THR 764 Ca 0.09 -0.43 -0.11 0.00 0.31 0.00 0.00 61.69 61.54 2ayy s THR 764 Cb -0.17 -2.65 0.02 0.00 0.01 0.00 0.00 72.50 69.70 2ayy s THR 764 CO -0.23 0.39 0.21 -0.36 -0.69 0.00 0.00 174.62 173.94 2ayy s PHE 765 N 1.51 3.23 0.28 4.92 0.40 -0.55 -2.52 117.98 125.25 2ayy s PHE 765 Ca 0.06 -0.82 -0.18 0.00 -0.60 0.00 0.00 56.93 55.39 2ayy s PHE 765 Cb -0.14 -2.45 0.01 0.00 0.51 0.00 0.00 43.02 40.95 2ayy s PHE 765 CO -0.02 -0.60 0.64 0.00 0.70 0.00 0.00 175.22 175.95 2ayy n ARG 767 N -0.44 0.00 -3.31 0.00 3.00 -1.26 -2.95 116.66 111.70 2ayy n ARG 767 Ca -0.03 0.34 0.03 0.00 -0.00 0.00 0.00 57.85 58.19 2ayy n ARG 767 Cb 0.60 -0.84 -0.02 0.00 0.00 0.00 0.00 32.46 32.20 2ayy n ARG 767 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.63 178.13 2ayy s ARG 768 N -0.71 0.47 -0.26 -0.14 6.06 -1.26 -4.79 118.95 118.32 2ayy s ARG 768 Ca 0.00 0.98 -0.14 0.00 -2.50 0.00 0.00 55.73 54.07 2ayy s ARG 768 Cb 0.00 0.56 0.08 0.00 0.06 0.00 0.00 34.95 35.66 2ayy s ARG 768 CO 0.00 -0.37 0.62 -1.01 -2.50 0.00 0.00 175.30 172.04 2ayy s HIS 769 N 2.83 -1.00 -0.02 5.12 3.76 -1.26 -5.14 115.29 119.57 2ayy s HIS 769 Ca 0.07 1.98 -0.30 0.00 -0.15 0.00 0.00 55.06 56.66 2ayy s HIS 769 Cb -0.12 0.58 -0.03 0.00 1.11 0.00 0.00 32.58 34.12 2ayy s HIS 769 CO -0.18 -0.51 0.98 0.42 -0.85 0.00 0.00 174.74 174.60 2ayy s ILE 770 N 1.78 4.85 0.00 0.60 1.09 -1.26 -3.22 121.20 125.05 2ayy s ILE 770 Ca -0.09 2.06 0.00 0.00 -1.10 0.00 0.00 60.65 61.51 2ayy s ILE 770 Cb -0.07 -4.32 0.00 0.00 -1.06 0.00 0.00 42.46 37.01 2ayy s ILE 770 CO -0.18 0.14 0.00 0.61 -0.10 0.00 0.00 174.94 175.40 2ayy n GLY 771 N 2.93 1.19 3.77 6.18 0.00 -1.26 -5.10 105.19 112.89 2ayy n GLY 771 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.15 4.01 -0.32 -0.61 1.01 -1.20 -4.83 121.20 118.11 2ayy s ILE 772 Ca 0.00 1.75 -0.28 0.00 0.00 0.00 0.00 60.65 62.12 2ayy s ILE 772 Cb 0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2ayy s ILE 772 CO 0.00 0.21 2.03 -2.84 0.00 0.00 0.00 174.94 174.34 2ayy s PRO 773 N -1.89 3.09 0.15 2.79 0.02 -1.26 -4.97 135.00 132.93 2ayy s PRO 773 Ca 0.49 1.62 0.04 0.00 0.02 0.00 0.00 61.00 63.17 2ayy s PRO 773 Cb -0.22 -4.32 -0.04 0.00 0.02 0.00 0.00 34.50 29.94 2ayy s PRO 773 CO 0.28 -2.14 0.15 -0.48 -0.33 0.00 0.00 177.00 174.48 2ayy s LEU 774 N 8.09 3.89 0.00 -5.54 0.05 -1.26 -4.47 118.68 119.45 2ayy s LEU 774 Ca 0.89 -0.06 0.00 0.00 0.05 0.00 0.00 54.13 55.01 2ayy s LEU 774 Cb -0.26 -2.51 0.00 0.00 -2.05 0.00 0.00 46.19 41.38 2ayy s LEU 774 CO 0.33 0.09 0.00 1.21 -0.55 0.00 0.00 176.35 177.42 2ayy n GLU 775 N -0.23 1.02 -1.37 1.48 2.13 -1.22 -4.63 120.64 117.82 2ayy n GLU 775 Ca -0.08 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.61 2ayy n GLU 775 Cb 0.54 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.20 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 -1.18 -3.48 5.31 5.02 -1.26 -4.87 118.16 117.69 2ayy n LYS 776 Ca 0.00 0.93 -0.15 0.00 -2.02 0.00 0.00 58.31 57.07 2ayy n LYS 776 Cb 0.00 -5.09 -0.04 0.00 -0.02 0.00 0.00 35.03 29.88 2ayy n LYS 776 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ayy s ALA 777 N -2.33 -1.71 -1.32 7.82 0.00 -1.26 -5.05 121.76 117.91 2ayy s ALA 777 Ca 0.00 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.96 2ayy s ALA 777 Cb 0.00 0.35 0.12 0.00 0.00 0.00 0.00 23.12 23.59 2ayy s ALA 777 CO 0.00 -0.55 0.85 -0.35 0.00 0.00 0.00 175.76 175.71 2ayy n PRO 778 N 0.30 1.48 -0.00 0.00 -0.04 -1.26 -3.50 135.00 131.98 2ayy n PRO 778 Ca -0.17 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 62.83 2ayy n PRO 778 Cb 0.61 -1.41 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.33 -0.01 3.11 0.55 0.00 -1.26 -4.99 105.19 102.92 2ayy n GLY 779 Ca 0.04 -0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.01 2.34 -0.11 1.61 1.03 -1.23 -2.28 118.70 118.05 2ayy s GLU 780 Ca -0.00 -0.63 -0.01 0.00 0.03 0.00 0.00 54.97 54.36 2ayy s GLU 780 Cb 0.00 -1.84 -0.02 0.00 -0.80 0.00 0.00 34.13 31.47 2ayy s GLU 780 CO 0.01 0.09 -0.09 -1.58 -1.33 0.00 0.00 175.26 172.36 2ayy s TRP 781 N 0.54 2.89 -0.01 4.83 0.52 0.24 -3.43 118.94 124.53 2ayy s TRP 781 Ca -0.16 -0.33 0.00 0.00 0.02 0.00 0.00 56.10 55.64 2ayy s TRP 781 Cb -0.17 -1.82 0.00 0.00 -1.15 0.00 0.00 33.47 30.34 2ayy s TRP 781 CO 0.06 0.02 -0.01 0.54 0.02 0.00 0.00 176.95 177.57 2ayy s VAL 782 N -0.05 0.12 -0.07 4.03 0.11 -1.26 -0.72 120.40 122.57 2ayy s VAL 782 Ca -0.01 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.71 2ayy s VAL 782 Cb -0.14 -0.13 0.09 0.00 -1.53 0.00 0.00 36.38 34.67 2ayy s VAL 782 CO 0.03 0.05 0.78 -2.28 -3.33 0.00 0.00 175.10 170.36 2ayy s HIS 783 N 0.17 -0.55 0.14 1.54 2.46 -1.05 -4.71 115.29 113.30 2ayy s HIS 783 Ca -0.01 0.87 -0.32 0.00 0.47 0.00 0.00 55.06 56.07 2ayy s HIS 783 Cb -0.03 0.44 -0.11 0.00 -0.13 0.00 0.00 32.58 32.75 2ayy s HIS 783 CO -0.00 -0.54 1.79 -1.13 -2.47 0.00 0.00 174.74 172.39 2ayy n SER 784 N 0.70 3.96 -1.39 9.88 3.41 -1.15 -0.91 113.62 128.12 2ayy n SER 784 Ca -0.16 1.01 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 2ayy n SER 784 Cb 0.58 -1.54 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 2ayy n SER 784 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2ayy n VAL 785 N 4.44 1.58 0.81 -3.33 3.14 -1.25 -3.36 118.33 120.36 2ayy n VAL 785 Ca 0.18 -0.33 0.10 0.00 -2.96 0.00 0.00 64.34 61.33 2ayy n VAL 785 Cb 0.36 -1.32 -0.10 0.00 -1.06 0.00 0.00 33.84 31.72 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2ayy n ALA 786 N 1.26 4.32 -3.86 1.55 0.00 -1.26 -4.67 120.51 117.84 2ayy n ALA 786 Ca 0.00 -0.56 -0.29 0.00 0.00 0.00 0.00 53.44 52.59 2ayy n ALA 786 Cb 0.46 -0.79 -0.13 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.10 3.25 -0.14 0.00 0.00 -1.21 -4.96 121.76 115.61 2ayy s ALA 787 Ca 0.05 -3.38 0.00 0.00 0.00 0.00 0.00 51.96 48.64 2ayy s ALA 787 Cb 0.16 -2.09 0.13 0.00 0.00 0.00 0.00 23.12 21.31 2ayy s ALA 787 CO 0.87 -2.06 1.68 -0.35 0.00 0.00 0.00 175.76 175.90 2ayy n PRO 788 N 2.66 1.36 -0.07 0.00 -0.05 -1.26 -4.30 135.00 133.34 2ayy n PRO 788 Ca 0.13 -0.76 -0.05 0.00 -0.05 0.00 0.00 63.50 62.77 2ayy n PRO 788 Cb 0.35 -1.30 -0.02 0.00 -0.05 0.00 0.00 33.50 32.48 2ayy n PRO 788 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 175.50 177.03 2ayy n HIS 789 N 0.58 0.49 0.57 0.54 -0.00 -1.26 -4.52 115.22 111.63 2ayy n HIS 789 Ca 0.15 0.21 0.07 0.00 0.46 0.00 0.00 57.72 58.61 2ayy n HIS 789 Cb 0.64 -0.59 0.20 0.00 -0.12 0.00 0.00 29.99 30.11 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 -4.23 2.05 0.36 1.57 0.00 -1.26 -4.48 120.64 114.65 2ayy n GLU 790 Ca -0.08 -1.61 -0.17 0.00 0.00 0.00 0.00 57.16 55.30 2ayy n GLU 790 Cb 0.31 -1.35 -0.09 0.00 0.00 0.00 0.00 31.44 30.31 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 2.61 -0.77 -1.76 -1.84 5.85 -1.80 0.30 115.31 117.91 2ayy h LEU 791 Ca 0.00 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 2ayy h LEU 791 Cb 0.60 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2ayy h LEU 791 CO 0.00 -0.48 -0.14 1.55 -0.34 0.00 0.00 178.44 179.02 2ayy h PRO 792 N -1.01 0.00 -0.16 5.25 0.13 -1.89 -1.58 132.00 132.74 2ayy h PRO 792 Ca -0.09 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.88 2ayy h PRO 792 Cb 0.72 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 2ayy h PRO 792 CO 0.15 0.14 -0.57 0.00 -0.23 0.00 0.00 178.00 177.49 2ayy h ALA 793 N 1.86 0.70 -0.68 -0.56 0.00 -1.80 -2.68 119.26 116.10 2ayy h ALA 793 Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 2ayy h ALA 793 Cb 0.27 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2ayy h ALA 793 CO 0.02 0.70 0.14 1.25 0.00 0.00 0.00 179.25 181.36 2ayy h LEU 794 N 0.39 1.05 -0.26 0.00 5.85 0.02 -0.42 115.31 121.94 2ayy h LEU 794 Ca 0.00 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2ayy h LEU 794 Cb 1.11 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 2ayy h LEU 794 CO 0.11 1.02 0.17 0.25 -0.34 0.00 0.00 178.44 179.64 2ayy h LEU 795 N 1.03 0.31 -0.48 2.25 7.12 -1.31 0.25 115.31 124.47 2ayy h LEU 795 Ca 0.21 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.17 2ayy h LEU 795 Cb 0.40 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.43 2ayy h LEU 795 CO 0.01 0.25 0.22 0.00 -0.13 0.00 0.00 178.44 178.78 2ayy h ALA 796 N 1.07 0.62 -0.74 1.25 0.00 -1.28 -1.97 119.26 118.22 2ayy h ALA 796 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2ayy h ALA 796 Cb -0.01 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2ayy h ALA 796 CO -0.02 0.20 0.48 -0.09 0.00 0.00 0.00 179.25 179.82 2ayy h ARG 797 N 0.63 0.99 -0.67 0.00 1.12 -0.78 0.15 114.38 115.82 2ayy h ARG 797 Ca 0.16 -0.07 -0.06 0.00 -1.11 0.00 0.00 59.98 58.91 2ayy h ARG 797 Cb 0.14 -0.22 -0.03 0.00 -0.01 0.00 0.00 29.97 29.85 2ayy h ARG 797 CO -0.02 0.67 0.20 0.82 -3.11 0.00 0.00 179.97 178.53 2ayy h ILE 798 N 1.01 1.25 -0.09 1.20 2.04 -0.55 -2.11 117.51 120.27 2ayy h ILE 798 Ca 0.27 -0.89 0.00 0.00 1.00 0.00 0.00 64.86 65.24 2ayy h ILE 798 Cb -0.09 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2ayy h ILE 798 CO -0.06 0.34 0.00 -1.22 0.00 0.00 0.00 178.15 177.22 2ayy n TYR 799 N -4.32 0.13 -2.84 1.37 4.01 -0.68 -4.85 117.16 109.98 2ayy n TYR 799 Ca 0.05 -0.06 -0.11 0.00 -0.16 0.00 0.00 57.90 57.61 2ayy n TYR 799 Cb 0.23 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.21 -2.41 -4.88 7.72 4.77 -0.79 -5.03 117.00 116.17 2ayy n LEU 800 Ca 0.03 -0.20 -0.31 0.00 -0.03 0.00 0.00 56.01 55.50 2ayy n LEU 800 Cb 0.10 -1.70 -0.04 0.00 -2.33 0.00 0.00 43.42 39.45 2ayy n LEU 800 CO 0.02 0.22 0.26 -0.63 -1.33 0.00 0.00 177.39 175.94 2ayy s ILE 801 N -3.01 4.92 -0.05 -0.08 -1.09 0.43 -4.98 121.20 117.34 2ayy s ILE 801 Ca 0.22 0.42 0.29 0.00 -2.23 0.00 0.00 60.65 59.35 2ayy s ILE 801 Cb -0.10 -3.67 0.31 0.00 -1.58 0.00 0.00 42.46 37.43 2ayy s ILE 801 CO 0.27 -0.22 1.89 -0.33 -1.23 0.00 0.00 174.94 175.33 2ayy h GLU 802 N 2.09 0.00 -7.12 2.79 3.07 -1.96 -3.39 114.58 110.06 2ayy h GLU 802 Ca -0.47 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 57.84 2ayy h GLU 802 Cb 1.18 0.00 0.15 0.00 -0.84 0.00 0.00 28.75 29.24 2ayy h GLU 802 CO 0.67 0.00 0.48 -1.64 -1.40 0.00 0.00 179.01 177.12 2ayy s MET 803 N -3.63 2.48 0.25 2.33 -1.94 -1.26 -5.04 119.30 112.49 2ayy s MET 803 Ca -0.00 1.97 0.01 0.00 -1.71 0.00 0.00 55.69 55.96 2ayy s MET 803 Cb 0.09 -1.85 -0.04 0.00 2.01 0.00 0.00 34.83 35.04 2ayy s MET 803 CO 0.37 -1.63 0.13 -2.00 -0.01 0.00 0.00 175.02 171.88 2ayy s GLU 804 N -3.50 1.38 0.87 2.03 2.56 -1.26 -4.36 118.70 116.42 2ayy s GLU 804 Ca 0.80 -1.75 -0.12 0.00 0.00 0.00 0.00 54.97 53.90 2ayy s GLU 804 Cb -0.35 -0.01 0.12 0.00 2.00 0.00 0.00 34.13 35.89 2ayy s GLU 804 CO 0.40 -0.37 1.17 -1.12 -0.56 0.00 0.00 175.26 174.78 2ayy s SER 805 N -3.27 3.90 -0.06 -1.70 0.01 -1.26 -4.90 113.70 106.42 2ayy s SER 805 Ca 0.38 0.83 -0.01 0.00 1.31 0.00 0.00 55.95 58.46 2ayy s SER 805 Cb 0.07 -1.33 0.03 0.00 0.21 0.00 0.00 66.02 64.99 2ayy s SER 805 CO 0.14 -2.29 0.02 -0.62 0.41 0.00 0.00 173.24 170.90 2ayy s ASP 806 N -4.33 1.35 -0.10 2.44 2.15 -1.26 -5.13 116.67 111.79 2ayy s ASP 806 Ca 0.64 -0.02 -0.19 0.00 0.43 0.00 0.00 52.55 53.40 2ayy s ASP 806 Cb -0.12 -0.32 -0.04 0.00 -0.30 0.00 0.00 42.92 42.13 2ayy s ASP 806 CO 0.51 -0.21 0.51 1.51 -0.17 0.00 0.00 175.17 177.33 2ayy s ASP 807 N 1.97 6.74 -0.04 -0.34 -4.77 -1.26 -4.85 116.67 114.12 2ayy s ASP 807 Ca 0.04 0.89 -0.08 0.00 -3.30 0.00 0.00 52.55 50.10 2ayy s ASP 807 Cb -0.12 -2.31 -0.05 0.00 -1.09 0.00 0.00 42.92 39.35 2ayy s ASP 807 CO -0.04 -0.00 0.24 -2.16 0.70 0.00 0.00 175.17 173.90 2ayy s PRO 808 N 0.57 3.58 -0.59 2.11 0.04 -1.26 -5.06 135.00 134.39 2ayy s PRO 808 Ca 0.28 -0.02 -0.27 0.00 0.04 0.00 0.00 61.00 61.03 2ayy s PRO 808 Cb -0.16 -3.15 0.03 0.00 0.04 0.00 0.00 34.50 31.27 2ayy s PRO 808 CO 0.12 0.71 1.11 0.00 0.04 0.00 0.00 177.00 178.98 2ayy s ALA 809 N -1.16 3.03 -0.02 8.56 0.00 -1.26 -5.01 121.76 125.90 2ayy s ALA 809 Ca 0.22 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 2ayy s ALA 809 Cb -0.13 -3.95 -0.05 0.00 0.00 0.00 0.00 23.12 18.98 2ayy s ALA 809 CO 0.11 -2.63 0.46 1.21 0.00 0.00 0.00 175.76 174.91 2ayy s ASN 810 N 3.01 6.82 0.00 0.00 2.47 -1.26 -4.98 114.94 121.00 2ayy s ASN 810 Ca 0.38 0.97 0.00 0.00 0.42 0.00 0.00 52.86 54.63 2ayy s ASN 810 Cb -0.09 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.42 2ayy s ASN 810 CO 0.22 0.22 0.00 0.00 -3.72 0.00 0.00 177.10 173.82 2ayy n ALA 811 N 2.37 2.33 -3.75 1.71 0.00 -1.26 -5.06 120.51 116.85 2ayy n ALA 811 Ca -0.11 -0.04 -0.26 0.00 0.00 0.00 0.00 53.44 53.03 2ayy n ALA 811 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 2ayy n ALA 811 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ayy n LEU 812 N -2.30 -2.24 0.00 0.00 4.32 -1.26 -4.99 117.00 110.53 2ayy n LEU 812 Ca 0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 56.01 55.06 2ayy n LEU 812 Cb 0.00 -1.87 0.00 0.00 -1.62 0.00 0.00 43.42 39.93 2ayy n LEU 812 CO 0.00 0.29 0.00 -0.81 -1.22 0.00 0.00 177.39 175.65 2ayy n PRO 813 N -3.05 0.00 -2.94 3.23 -0.04 -1.26 -4.88 135.00 126.06 2ayy n PRO 813 Ca -0.23 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.80 2ayy n PRO 813 Cb 0.64 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 34.05 2ayy n PRO 813 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ayy s SER 814 N -1.00 6.45 0.00 3.54 0.01 -1.26 -4.88 113.70 116.56 2ayy s SER 814 Ca 0.00 0.02 0.25 0.00 1.31 0.00 0.00 55.95 57.53 2ayy s SER 814 Cb 0.00 -2.40 1.32 0.00 0.21 0.00 0.00 66.02 65.15 2ayy s SER 814 CO 0.00 -0.90 1.86 0.35 0.41 0.00 0.00 173.24 174.96 2ayy n THR 815 N 6.12 0.16 0.05 1.44 -2.24 -1.26 -5.29 114.28 113.26 2ayy n THR 815 Ca 0.03 0.04 0.01 0.00 -2.27 0.00 0.00 64.05 61.86 2ayy n THR 815 Cb 0.48 -0.63 0.01 0.00 -2.10 0.00 0.00 70.33 68.09 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83