#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayy s GLY 697 N 0.00 1.53 -0.96 -5.12 0.00 -1.26 -5.03 107.32 96.48 2ayy s GLY 697 Ca 0.00 -1.04 -0.22 0.00 0.00 0.00 0.00 44.72 43.46 2ayy s GLY 697 CO 0.00 -1.03 1.31 -0.32 0.00 0.00 0.00 173.10 173.06 2ayy s GLY 698 N -3.54 1.45 -0.43 0.20 0.00 -1.26 -4.93 107.32 98.81 2ayy s GLY 698 Ca 0.36 -2.34 0.04 0.00 0.00 0.00 0.00 44.72 42.78 2ayy s GLY 698 CO 0.30 2.44 0.16 -0.56 0.00 0.00 0.00 173.10 175.44 2ayy s SER 699 N 4.41 4.47 -0.45 1.64 0.01 -1.26 -4.99 113.70 117.53 2ayy s SER 699 Ca 0.40 -2.55 0.06 0.00 1.31 0.00 0.00 55.95 55.16 2ayy s SER 699 Cb -0.03 -1.57 0.18 0.00 0.21 0.00 0.00 66.02 64.81 2ayy s SER 699 CO -0.07 -0.31 0.56 -0.83 0.41 0.00 0.00 173.24 173.00 2ayy s GLY 700 N 0.36 -0.42 -0.07 3.44 0.00 -1.26 -5.14 107.32 104.23 2ayy s GLY 700 Ca 0.14 -0.96 0.06 0.00 0.00 0.00 0.00 44.72 43.96 2ayy s GLY 700 CO -0.05 3.11 -0.25 0.14 0.00 0.00 0.00 173.10 176.06 2ayy s VAL 701 N 0.89 2.04 0.00 1.40 1.01 -1.26 -5.07 120.40 119.42 2ayy s VAL 701 Ca 0.27 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2ayy s VAL 701 Cb -0.02 -1.74 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2ayy s VAL 701 CO -0.08 0.56 0.00 -1.84 0.00 0.00 0.00 175.10 173.74 2ayy n GLU 702 N 3.11 0.00 -0.40 2.72 0.28 -1.26 -5.14 120.64 119.94 2ayy n GLU 702 Ca -0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.82 2ayy n GLU 702 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 2ayy n GLU 702 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ayy n GLY 703 N 0.00 -0.51 3.12 -1.84 0.00 -1.26 -5.12 105.19 99.57 2ayy n GLY 703 Ca 0.00 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.24 2ayy n GLY 703 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2ayy s LEU 704 N -0.09 2.10 -0.16 0.99 -0.00 -1.26 -5.13 118.68 115.12 2ayy s LEU 704 Ca 0.00 -0.35 -0.02 0.00 -0.00 0.00 0.00 54.13 53.76 2ayy s LEU 704 Cb 0.00 -0.64 -0.01 0.00 -0.00 0.00 0.00 46.19 45.54 2ayy s LEU 704 CO 0.00 0.10 -0.09 -0.44 -0.00 0.00 0.00 176.35 175.92 2ayy s SER 705 N -0.73 4.23 -0.29 1.48 0.01 -1.26 -5.09 113.70 112.05 2ayy s SER 705 Ca 0.03 -0.31 -0.02 0.00 1.31 0.00 0.00 55.95 56.97 2ayy s SER 705 Cb -0.06 -1.68 0.05 0.00 0.21 0.00 0.00 66.02 64.53 2ayy s SER 705 CO 0.00 0.11 -0.01 -0.83 0.41 0.00 0.00 173.24 172.92 2ayy s GLY 706 N 0.69 1.73 -0.25 3.44 0.00 -1.26 -5.04 107.32 106.63 2ayy s GLY 706 Ca -0.05 -1.72 -0.19 0.00 0.00 0.00 0.00 44.72 42.77 2ayy s GLY 706 CO 0.02 0.66 0.55 0.54 0.00 0.00 0.00 173.10 174.88 2ayy s LYS 707 N 1.26 4.09 0.05 2.90 1.02 -1.26 -5.02 119.74 122.78 2ayy s LYS 707 Ca -0.05 0.41 0.04 0.00 0.02 0.00 0.00 55.97 56.39 2ayy s LYS 707 Cb -0.19 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.44 2ayy s LYS 707 CO -0.02 -0.36 -0.05 1.03 -0.92 0.00 0.00 175.35 175.04 2ayy s ARG 708 N 2.33 2.49 -0.02 1.68 0.52 -1.26 -0.78 118.95 123.91 2ayy s ARG 708 Ca 0.23 -0.81 -0.01 0.00 -0.52 0.00 0.00 55.73 54.63 2ayy s ARG 708 Cb -0.16 -2.49 0.02 0.00 0.52 0.00 0.00 34.95 32.84 2ayy s ARG 708 CO 0.09 0.57 0.04 0.00 0.02 0.00 0.00 175.30 176.02 2ayy s TRP 710 N 0.62 3.10 -0.13 0.00 0.52 -0.08 -0.48 118.94 122.49 2ayy s TRP 710 Ca -0.05 -0.30 -0.00 0.00 0.02 0.00 0.00 56.10 55.77 2ayy s TRP 710 Cb -0.07 -2.13 -0.01 0.00 -1.15 0.00 0.00 33.47 30.10 2ayy s TRP 710 CO -0.02 -0.17 -0.13 -0.48 0.02 0.00 0.00 176.95 176.16 2ayy s LEU 711 N 1.04 2.70 -0.55 2.99 2.34 0.23 -0.42 118.68 127.00 2ayy s LEU 711 Ca 0.03 -0.34 0.03 0.00 0.06 0.00 0.00 54.13 53.91 2ayy s LEU 711 Cb -0.14 -1.61 0.41 0.00 -0.56 0.00 0.00 46.19 44.29 2ayy s LEU 711 CO 0.02 0.16 1.48 0.00 -1.06 0.00 0.00 176.35 176.95 2ayy n ALA 712 N 3.55 5.60 -2.56 1.48 0.00 0.35 -1.38 120.51 127.55 2ayy n ALA 712 Ca -0.18 -4.10 -0.41 0.00 0.00 0.00 0.00 53.44 48.75 2ayy n ALA 712 Cb 0.53 -1.04 -0.09 0.00 0.00 0.00 0.00 19.45 18.85 2ayy n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayy s VAL 713 N -5.19 5.12 -2.90 0.00 1.01 -1.26 -2.61 120.40 114.58 2ayy s VAL 713 Ca 0.51 0.20 0.24 0.00 0.00 0.00 0.00 61.98 62.93 2ayy s VAL 713 Cb 0.42 -3.85 0.21 0.00 0.00 0.00 0.00 36.38 33.17 2ayy s VAL 713 CO -0.20 -0.10 1.26 0.54 0.00 0.00 0.00 175.10 176.61 2ayy n ARG 714 N 5.48 2.30 -2.62 2.72 1.74 -1.26 -4.77 116.66 120.25 2ayy n ARG 714 Ca -0.08 -1.95 -0.41 0.00 -0.77 0.00 0.00 57.85 54.64 2ayy n ARG 714 Cb 0.49 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 2ayy n ARG 714 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2ayy s ASN 715 N -1.92 6.18 0.15 0.55 3.84 -1.26 -4.92 114.94 117.56 2ayy s ASN 715 Ca 0.29 -0.63 -0.21 0.00 0.21 0.00 0.00 52.86 52.51 2ayy s ASN 715 Cb 0.20 -2.53 0.04 0.00 -0.55 0.00 0.00 41.25 38.41 2ayy s ASN 715 CO 0.30 -1.73 1.64 0.00 -2.79 0.00 0.00 177.10 174.52 2ayy h ALA 716 N 9.90 -0.03 -0.25 1.71 0.00 -1.99 0.27 119.26 128.87 2ayy h ALA 716 Ca -0.26 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2ayy h ALA 716 Cb 1.05 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2ayy h ALA 716 CO 1.26 -0.61 0.11 0.66 0.00 0.00 0.00 179.25 180.68 2ayy h SER 717 N -0.19 0.34 -0.09 0.00 4.64 -1.99 -2.38 113.55 113.88 2ayy h SER 717 Ca 0.14 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2ayy h SER 717 Cb 0.40 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2ayy h SER 717 CO -0.37 0.39 -0.01 -0.07 -0.87 0.00 0.00 176.83 175.89 2ayy h LEU 718 N 0.27 0.16 -1.03 5.97 3.38 -1.87 -2.82 115.31 119.37 2ayy h LEU 718 Ca 0.09 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 2ayy h LEU 718 Cb 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2ayy h LEU 718 CO -0.01 0.47 0.13 0.00 0.09 0.00 0.00 178.44 179.13 2ayy h GLN 720 N 0.80 0.29 -0.67 0.00 4.20 -1.44 0.42 115.11 118.70 2ayy h GLN 720 Ca 0.18 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 2ayy h GLN 720 Cb 0.29 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2ayy h GLN 720 CO -0.00 0.64 0.29 0.35 -0.67 0.00 0.00 178.83 179.44 2ayy h PHE 721 N -0.06 1.00 -0.05 2.96 3.57 -1.26 -1.01 116.94 122.10 2ayy h PHE 721 Ca 0.03 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 2ayy h PHE 721 Cb 0.56 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 2ayy h PHE 721 CO 0.07 0.77 0.01 1.25 -2.23 0.00 0.00 178.31 178.18 2ayy h LEU 722 N 0.95 0.08 -0.78 0.59 7.12 -1.02 -1.58 115.31 120.67 2ayy h LEU 722 Ca 0.23 -0.28 -0.11 0.00 0.13 0.00 0.00 57.88 57.85 2ayy h LEU 722 Cb 0.17 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.26 2ayy h LEU 722 CO -0.02 0.34 -0.21 1.05 -0.13 0.00 0.00 178.44 179.47 2ayy h GLU 723 N -0.18 0.69 -0.50 1.25 -0.00 -0.81 -0.57 114.58 114.46 2ayy h GLU 723 Ca 0.02 -0.26 -0.11 0.00 -0.00 0.00 0.00 59.36 59.00 2ayy h GLU 723 Cb 0.30 -0.04 -0.02 0.00 -0.00 0.00 0.00 28.75 28.99 2ayy h GLU 723 CO 0.00 0.85 -0.11 1.15 -0.00 0.00 0.00 179.01 180.89 2ayy h THR 724 N 0.61 1.27 -0.23 -1.06 2.02 -1.17 0.57 112.91 114.90 2ayy h THR 724 Ca 0.09 -1.24 -0.09 0.00 0.77 0.00 0.00 66.41 65.94 2ayy h THR 724 Cb 0.69 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2ayy h THR 724 CO 0.05 0.43 -0.23 0.28 0.37 0.00 0.00 175.52 176.42 2ayy h SER 725 N 0.83 0.43 -0.09 4.18 0.02 -0.82 -2.66 113.55 115.44 2ayy h SER 725 Ca 0.13 -0.14 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 2ayy h SER 725 Cb 0.65 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.08 2ayy h SER 725 CO 0.05 0.67 -0.77 0.25 -1.14 0.00 0.00 176.83 175.89 2ayy h LEU 726 N 0.39 0.88 0.00 5.07 6.46 -0.83 -3.10 115.31 124.19 2ayy h LEU 726 Ca 0.06 -0.57 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 2ayy h LEU 726 Cb 0.62 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 2ayy h LEU 726 CO 0.04 1.37 0.00 0.00 -0.62 0.00 0.00 178.44 179.23 2ayy n GLN 727 N -3.92 0.73 0.04 1.25 6.02 0.17 -2.52 117.38 119.14 2ayy n GLN 727 Ca -0.07 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.04 2ayy n GLN 727 Cb 0.74 -1.37 0.47 0.00 1.02 0.00 0.00 30.24 31.10 2ayy n GLN 727 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2ayy n ARG 728 N -0.87 0.08 0.00 -1.09 5.12 -1.03 -4.59 116.66 114.29 2ayy n ARG 728 Ca 0.13 0.18 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 2ayy n ARG 728 Cb 0.06 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 29.74 2ayy n ARG 728 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2ayy n SER 729 N -1.76 0.00 -2.70 0.55 2.88 -1.05 -5.06 113.62 106.48 2ayy n SER 729 Ca 0.05 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.52 2ayy n SER 729 Cb 0.29 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.84 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 4.06 0.62 2.98 0.46 0.00 -1.26 -5.13 105.19 106.93 2ayy n GLY 730 Ca 0.00 0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 0.19 0.85 -0.11 -0.61 1.01 -1.26 -4.08 121.20 117.18 2ayy s ILE 731 Ca 0.19 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.34 2ayy s ILE 731 Cb 0.31 -0.78 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 2ayy s ILE 731 CO -0.08 0.28 0.40 0.54 0.00 0.00 0.00 174.94 176.09 2ayy s VAL 732 N 0.51 5.20 0.16 2.92 0.11 0.04 -4.49 120.40 124.85 2ayy s VAL 732 Ca -0.09 0.80 -0.26 0.00 -2.93 0.00 0.00 61.98 59.51 2ayy s VAL 732 Cb -0.12 -3.74 -0.08 0.00 -1.53 0.00 0.00 36.38 30.91 2ayy s VAL 732 CO 0.01 0.39 0.79 0.68 -3.33 0.00 0.00 175.10 173.64 2ayy s VAL 733 N 0.27 4.39 -0.04 2.04 -7.23 -1.26 -2.20 120.40 116.37 2ayy s VAL 733 Ca 0.23 1.73 -0.00 0.00 -1.81 0.00 0.00 61.98 62.12 2ayy s VAL 733 Cb -0.15 -4.15 0.03 0.00 0.56 0.00 0.00 36.38 32.67 2ayy s VAL 733 CO 0.09 0.50 0.00 -0.89 -0.31 0.00 0.00 175.10 174.49 2ayy s THR 734 N -1.01 0.24 -0.20 5.32 2.01 0.37 -4.93 115.64 117.43 2ayy s THR 734 Ca 0.37 0.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 2ayy s THR 734 Cb -0.23 -0.36 -0.00 0.00 0.01 0.00 0.00 72.50 71.92 2ayy s THR 734 CO 0.26 0.19 1.18 -0.89 -0.69 0.00 0.00 174.62 174.67 2ayy s THR 735 N 1.37 4.43 -1.31 -0.82 2.01 -1.26 -0.60 115.64 119.45 2ayy s THR 735 Ca -0.05 1.72 -0.14 0.00 0.31 0.00 0.00 61.69 63.53 2ayy s THR 735 Cb -0.13 -4.14 0.11 0.00 0.01 0.00 0.00 72.50 68.34 2ayy s THR 735 CO -0.02 -0.19 1.80 0.00 -0.69 0.00 0.00 174.62 175.52 2ayy n TYR 736 N 6.58 4.17 0.00 4.92 9.36 -0.48 -4.72 117.16 136.98 2ayy n TYR 736 Ca 0.13 -3.00 0.00 0.00 3.32 0.00 0.00 57.90 58.36 2ayy n TYR 736 Cb 0.45 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 2ayy n TYR 736 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2ayy n GLU 737 N 6.32 0.00 -2.72 2.98 1.02 -1.26 -4.63 120.64 122.34 2ayy n GLU 737 Ca 0.45 0.39 -0.08 0.00 -0.02 0.00 0.00 57.16 57.90 2ayy n GLU 737 Cb 0.42 -0.89 0.10 0.00 -0.02 0.00 0.00 31.44 31.05 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayy n GLY 738 N 1.99 1.09 2.68 0.62 0.00 -1.26 -5.15 105.19 105.16 2ayy n GLY 738 Ca 0.00 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.15 1.02 -2.98 1.61 1.13 -1.26 -5.10 117.38 111.64 2ayy n GLN 739 Ca 0.02 -2.59 -0.41 0.00 -1.94 0.00 0.00 57.00 52.09 2ayy n GLN 739 Cb 0.78 0.51 -0.05 0.00 0.11 0.00 0.00 30.24 31.59 2ayy n GLN 739 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2ayy s GLU 740 N -3.46 4.28 0.72 -1.09 0.41 -1.26 -5.05 118.70 113.25 2ayy s GLU 740 Ca 0.10 0.86 -0.13 0.00 -0.41 0.00 0.00 54.97 55.40 2ayy s GLU 740 Cb -0.01 -3.56 0.03 0.00 -1.78 0.00 0.00 34.13 28.81 2ayy s GLU 740 CO 0.07 -0.26 1.11 -2.14 -0.49 0.00 0.00 175.26 173.54 2ayy s PRO 741 N 1.94 2.49 0.03 0.39 0.02 -1.26 -5.08 135.00 133.54 2ayy s PRO 741 Ca 0.35 1.30 0.06 0.00 0.02 0.00 0.00 61.00 62.73 2ayy s PRO 741 Cb -0.16 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 2ayy s PRO 741 CO 0.12 -1.48 -0.17 0.99 -0.33 0.00 0.00 177.00 176.13 2ayy s THR 742 N -2.59 1.32 -1.91 0.99 2.01 -1.25 -4.93 115.64 109.27 2ayy s THR 742 Ca 0.64 -1.02 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2ayy s THR 742 Cb -0.19 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.16 2ayy s THR 742 CO 0.49 0.12 0.64 -2.65 -0.69 0.00 0.00 174.62 172.53 2ayy n PRO 743 N 1.99 0.67 -0.09 4.92 -0.02 -1.26 -3.05 135.00 138.16 2ayy n PRO 743 Ca -0.17 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.20 2ayy n PRO 743 Cb 0.54 -1.03 -0.10 0.00 -0.02 0.00 0.00 33.50 32.89 2ayy n PRO 743 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ayy n GLU 744 N -0.44 0.96 -3.30 -0.52 -0.58 -1.26 -3.36 120.64 112.14 2ayy n GLU 744 Ca 0.00 0.06 -0.21 0.00 -0.42 0.00 0.00 57.16 56.59 2ayy n GLU 744 Cb 0.02 -1.38 0.03 0.00 -0.57 0.00 0.00 31.44 29.53 2ayy n GLU 744 CO 0.00 0.00 0.00 0.16 -0.48 0.00 0.00 177.13 176.81 2ayy s ASP 745 N -5.41 5.01 0.08 1.62 1.47 -1.17 -4.70 116.67 113.58 2ayy s ASP 745 Ca -0.18 -0.92 0.09 0.00 1.18 0.00 0.00 52.55 52.73 2ayy s ASP 745 Cb 0.06 0.20 -0.03 0.00 -0.34 0.00 0.00 42.92 42.80 2ayy s ASP 745 CO 0.52 -1.19 -0.25 0.68 0.68 0.00 0.00 175.17 175.62 2ayy s VAL 746 N -2.66 2.03 -0.48 2.11 -7.23 -1.25 -1.82 120.40 111.10 2ayy s VAL 746 Ca 0.53 -1.51 -0.16 0.00 -1.81 0.00 0.00 61.98 59.03 2ayy s VAL 746 Cb -0.05 -1.78 0.07 0.00 0.56 0.00 0.00 36.38 35.18 2ayy s VAL 746 CO 0.33 0.17 0.46 -0.22 -0.31 0.00 0.00 175.10 175.53 2ayy s LEU 747 N -1.62 5.45 -0.51 1.32 0.20 0.03 -0.90 118.68 122.66 2ayy s LEU 747 Ca 0.11 -1.22 -0.21 0.00 0.69 0.00 0.00 54.13 53.50 2ayy s LEU 747 Cb -0.10 -2.26 0.05 0.00 -0.43 0.00 0.00 46.19 43.45 2ayy s LEU 747 CO 0.04 -0.72 0.71 -0.63 -0.29 0.00 0.00 176.35 175.46 2ayy s ILE 748 N 1.92 4.74 0.07 6.68 1.01 0.44 -0.24 121.20 135.81 2ayy s ILE 748 Ca 0.07 -0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2ayy s ILE 748 Cb -0.23 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.85 2ayy s ILE 748 CO 0.08 -0.85 0.02 0.42 0.00 0.00 0.00 174.94 174.61 2ayy s THR 749 N 3.01 4.17 -0.06 2.92 -4.23 -0.20 -0.50 115.64 120.76 2ayy s THR 749 Ca 0.20 -0.85 0.05 0.00 -1.18 0.00 0.00 61.69 59.91 2ayy s THR 749 Cb -0.17 -2.97 -0.02 0.00 1.34 0.00 0.00 72.50 70.69 2ayy s THR 749 CO 0.15 0.18 -0.20 1.51 -0.54 0.00 0.00 174.62 175.72 2ayy s ASP 750 N -2.16 3.53 0.94 3.99 1.47 -1.07 -0.69 116.67 122.68 2ayy s ASP 750 Ca 0.25 -0.37 0.00 0.00 1.18 0.00 0.00 52.55 53.61 2ayy s ASP 750 Cb -0.12 -0.87 0.00 0.00 -0.34 0.00 0.00 42.92 41.59 2ayy s ASP 750 CO 0.17 0.28 0.00 -0.62 0.68 0.00 0.00 175.17 175.68 2ayy n GLU 751 N 2.73 0.00 -3.67 2.11 -0.58 -0.56 -4.54 120.64 116.12 2ayy n GLU 751 Ca -0.17 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.20 2ayy n GLU 751 Cb 0.52 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.29 2ayy n GLU 751 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2ayy s VAL 752 N 0.00 5.29 -0.81 2.62 0.11 -1.26 -4.62 120.40 121.73 2ayy s VAL 752 Ca 0.00 0.16 0.14 0.00 -2.93 0.00 0.00 61.98 59.35 2ayy s VAL 752 Cb 0.00 -3.47 -0.12 0.00 -1.53 0.00 0.00 36.38 31.26 2ayy s VAL 752 CO 0.00 0.34 0.64 1.33 -3.33 0.00 0.00 175.10 174.08 2ayy n VAL 753 N 4.34 0.00 -3.12 2.04 0.24 -1.26 -5.00 118.33 115.56 2ayy n VAL 753 Ca -0.15 -0.21 -0.21 0.00 -2.04 0.00 0.00 64.34 61.73 2ayy n VAL 753 Cb 0.52 1.04 0.05 0.00 -1.47 0.00 0.00 33.84 33.97 2ayy n VAL 753 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ayy n SER 754 N -1.07 -5.80 -3.70 -1.34 7.64 -1.26 -4.98 113.62 103.10 2ayy n SER 754 Ca 0.03 -0.33 -0.08 0.00 1.01 0.00 0.00 58.87 59.50 2ayy n SER 754 Cb 0.24 -4.55 -0.02 0.00 -1.01 0.00 0.00 64.21 58.87 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 -5.79 1.84 0.00 1.43 -2.85 -1.26 -5.12 119.74 107.99 2ayy s LYS 755 Ca 0.36 -1.12 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 2ayy s LYS 755 Cb -0.16 0.59 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 2ayy s LYS 755 CO 0.44 -0.83 0.00 1.63 0.10 0.00 0.00 175.35 176.69 2ayy n LYS 756 N -0.46 3.74 -3.59 1.78 4.76 -1.26 -4.93 118.16 118.19 2ayy n LYS 756 Ca -0.04 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.38 2ayy n LYS 756 Cb 0.60 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.74 2ayy n LYS 756 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2ayy s TRP 757 N 2.77 -1.03 -0.77 2.13 -0.11 -1.26 -5.10 118.94 115.57 2ayy s TRP 757 Ca 0.00 1.88 -0.11 0.00 1.22 0.00 0.00 56.10 59.08 2ayy s TRP 757 Cb 0.00 0.62 0.20 0.00 -1.50 0.00 0.00 33.47 32.79 2ayy s TRP 757 CO 0.00 -0.51 0.68 -0.65 -4.62 0.00 0.00 176.95 171.85 2ayy s GLN 758 N 2.28 3.34 0.00 5.86 -0.21 -1.26 -4.95 119.66 124.73 2ayy s GLN 758 Ca -0.07 -2.46 0.00 0.00 0.02 0.00 0.00 55.36 52.85 2ayy s GLN 758 Cb -0.08 -4.26 0.00 0.00 1.00 0.00 0.00 33.01 29.67 2ayy s GLN 758 CO -0.18 -1.26 0.00 0.41 -2.12 0.00 0.00 175.29 172.13 2ayy n GLY 759 N 3.89 3.81 0.12 3.09 0.00 -1.26 -3.90 105.19 110.94 2ayy n GLY 759 Ca 0.12 -0.25 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 2ayy n GLY 759 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2ayy h ARG 760 N 0.00 -0.19 -3.08 1.61 9.65 -1.33 -3.43 114.38 117.62 2ayy h ARG 760 Ca 0.00 0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.92 2ayy h ARG 760 Cb 0.00 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.54 2ayy h ARG 760 CO 0.00 0.10 0.18 0.00 2.80 0.00 0.00 179.97 183.05 2ayy s ALA 761 N -3.16 -1.24 -0.07 2.80 0.00 -1.22 -4.87 121.76 113.99 2ayy s ALA 761 Ca -0.08 -0.08 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 2ayy s ALA 761 Cb -0.00 0.87 0.04 0.00 0.00 0.00 0.00 23.12 24.03 2ayy s ALA 761 CO 0.28 -0.91 0.14 0.54 0.00 0.00 0.00 175.76 175.80 2ayy s VAL 762 N -3.87 -0.21 -0.44 0.00 0.11 -0.96 -0.79 120.40 114.24 2ayy s VAL 762 Ca 0.08 0.35 -0.13 0.00 -2.93 0.00 0.00 61.98 59.35 2ayy s VAL 762 Cb -0.03 -0.26 0.07 0.00 -1.53 0.00 0.00 36.38 34.62 2ayy s VAL 762 CO -0.00 0.15 0.33 -0.69 -3.33 0.00 0.00 175.10 171.55 2ayy s VAL 763 N 2.15 4.86 -0.33 2.04 1.01 0.66 -0.60 120.40 130.19 2ayy s VAL 763 Ca 0.02 -1.12 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 2ayy s VAL 763 Cb -0.12 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.36 2ayy s VAL 763 CO -0.05 -0.50 0.20 -0.89 0.00 0.00 0.00 175.10 173.86 2ayy s THR 764 N 1.57 5.00 -0.90 3.92 2.01 0.04 -1.03 115.64 126.25 2ayy s THR 764 Ca 0.04 -0.31 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 2ayy s THR 764 Cb -0.23 -3.57 0.15 0.00 0.01 0.00 0.00 72.50 68.86 2ayy s THR 764 CO 0.05 0.02 1.05 -0.36 -0.69 0.00 0.00 174.62 174.69 2ayy s PHE 765 N 1.68 3.23 0.49 4.92 0.08 0.13 -2.26 117.98 126.25 2ayy s PHE 765 Ca 0.05 -1.48 0.08 0.00 0.12 0.00 0.00 56.93 55.70 2ayy s PHE 765 Cb -0.17 -4.19 0.03 0.00 -0.57 0.00 0.00 43.02 38.12 2ayy s PHE 765 CO 0.09 -1.39 0.53 0.00 -0.10 0.00 0.00 175.22 174.34 2ayy h ARG 767 N 0.66 0.23 0.00 0.00 3.08 -1.89 -0.13 114.38 116.33 2ayy h ARG 767 Ca -0.37 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.28 2ayy h ARG 767 Cb 1.28 0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.48 2ayy h ARG 767 CO 0.51 1.18 0.00 -2.13 -1.07 0.00 0.00 179.97 178.45 2ayy n ARG 768 N -3.50 0.00 -2.04 0.04 0.63 -1.26 -4.86 116.66 105.68 2ayy n ARG 768 Ca -0.08 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.50 2ayy n ARG 768 Cb 1.02 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.89 2ayy n ARG 768 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2ayy s HIS 769 N -2.69 1.71 0.00 -0.14 5.65 -1.26 -4.81 115.29 113.75 2ayy s HIS 769 Ca 0.00 0.74 0.00 0.00 0.25 0.00 0.00 55.06 56.05 2ayy s HIS 769 Cb 0.00 -4.07 0.00 0.00 -1.18 0.00 0.00 32.58 27.33 2ayy s HIS 769 CO 0.00 -2.11 0.00 -0.89 -0.65 0.00 0.00 174.74 171.09 2ayy n ILE 770 N 7.45 0.00 0.44 0.89 5.41 -1.26 -4.95 119.36 127.35 2ayy n ILE 770 Ca 0.27 0.00 0.05 0.00 1.00 0.00 0.00 62.75 64.08 2ayy n ILE 770 Cb 0.50 -0.06 0.04 0.00 -0.71 0.00 0.00 39.64 39.41 2ayy n ILE 770 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ayy n GLY 771 N 3.94 -0.37 3.67 7.39 0.00 -1.26 -4.98 105.19 113.57 2ayy n GLY 771 Ca 0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2ayy n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 772 N -0.93 4.63 0.27 -0.61 -1.09 -1.26 -4.80 121.20 117.40 2ayy s ILE 772 Ca 0.12 -0.10 -0.30 0.00 -2.23 0.00 0.00 60.65 58.14 2ayy s ILE 772 Cb 0.09 -3.03 -0.14 0.00 -1.58 0.00 0.00 42.46 37.80 2ayy s ILE 772 CO 0.14 0.53 1.22 -2.65 -1.23 0.00 0.00 174.94 172.96 2ayy n PRO 773 N 2.89 1.71 -1.89 2.79 -0.02 -1.26 -4.83 135.00 134.39 2ayy n PRO 773 Ca -0.18 0.61 -0.35 0.00 -2.02 0.00 0.00 63.50 61.55 2ayy n PRO 773 Cb 0.53 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.86 2ayy n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayy n LEU 774 N 1.54 7.30 0.00 2.45 -0.00 -1.26 -4.79 117.00 122.24 2ayy n LEU 774 Ca 0.10 -4.65 0.00 0.00 -0.00 0.00 0.00 56.01 51.46 2ayy n LEU 774 Cb 0.32 -1.25 0.00 0.00 -0.00 0.00 0.00 43.42 42.49 2ayy n LEU 774 CO 0.61 1.90 0.00 1.21 -0.00 0.00 0.00 177.39 181.11 2ayy n GLU 775 N 0.86 0.00 -3.72 1.47 2.13 -1.26 -4.77 120.64 115.35 2ayy n GLU 775 Ca 0.54 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 58.08 2ayy n GLU 775 Cb 0.36 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.05 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 -2.80 -3.65 5.31 4.76 -1.26 -4.81 118.16 115.71 2ayy n LYS 776 Ca 0.00 0.33 -0.01 0.00 -2.87 0.00 0.00 58.31 55.76 2ayy n LYS 776 Cb 0.00 -5.00 -0.07 0.00 -1.84 0.00 0.00 35.03 28.12 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 -2.98 -2.38 -0.62 7.82 0.00 -1.26 -5.08 121.76 117.27 2ayy s ALA 777 Ca 0.53 1.88 -0.26 0.00 0.00 0.00 0.00 51.96 54.11 2ayy s ALA 777 Cb -0.29 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 2ayy s ALA 777 CO 0.65 -0.22 2.09 -1.25 0.00 0.00 0.00 175.76 177.03 2ayy s PRO 778 N 0.59 2.36 0.00 0.00 0.04 -1.26 -2.08 135.00 134.66 2ayy s PRO 778 Ca -0.01 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.80 2ayy s PRO 778 Cb -0.04 -4.56 0.00 0.00 0.04 0.00 0.00 34.50 29.95 2ayy s PRO 778 CO -0.12 -3.11 0.00 0.41 0.04 0.00 0.00 177.00 174.21 2ayy n GLY 779 N 6.01 1.03 3.59 0.56 0.00 -1.26 -5.12 105.19 110.00 2ayy n GLY 779 Ca 0.30 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.99 2ayy n GLY 779 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ayy s GLU 780 N 0.00 2.60 -0.04 1.61 0.41 -0.88 -2.26 118.70 120.14 2ayy s GLU 780 Ca 0.00 -0.68 0.02 0.00 -0.41 0.00 0.00 54.97 53.90 2ayy s GLU 780 Cb 0.00 -2.52 0.01 0.00 -1.78 0.00 0.00 34.13 29.84 2ayy s GLU 780 CO 0.00 0.62 -0.09 -1.58 -0.49 0.00 0.00 175.26 173.71 2ayy s TRP 781 N -0.96 1.05 0.06 1.61 0.52 0.24 -4.60 118.94 116.85 2ayy s TRP 781 Ca 0.16 -0.29 0.08 0.00 0.02 0.00 0.00 56.10 56.06 2ayy s TRP 781 Cb -0.11 -0.77 -0.03 0.00 -1.15 0.00 0.00 33.47 31.41 2ayy s TRP 781 CO 0.06 -0.15 -0.21 0.54 0.02 0.00 0.00 176.95 177.22 2ayy s VAL 782 N 0.37 1.69 -0.13 4.03 0.11 -1.26 -0.78 120.40 124.42 2ayy s VAL 782 Ca -0.06 -1.30 -0.30 0.00 -2.93 0.00 0.00 61.98 57.39 2ayy s VAL 782 Cb -0.11 -1.49 0.10 0.00 -1.53 0.00 0.00 36.38 33.36 2ayy s VAL 782 CO 0.01 0.13 0.87 -2.28 -3.33 0.00 0.00 175.10 170.50 2ayy s HIS 783 N -0.90 -0.51 0.11 1.54 2.46 -0.96 -4.96 115.29 112.07 2ayy s HIS 783 Ca 0.07 0.92 -0.31 0.00 0.47 0.00 0.00 55.06 56.21 2ayy s HIS 783 Cb -0.09 0.42 -0.08 0.00 -0.13 0.00 0.00 32.58 32.70 2ayy s HIS 783 CO 0.02 -0.43 1.40 -1.54 -2.47 0.00 0.00 174.74 171.72 2ayy s SER 784 N -0.96 6.82 -1.20 9.88 1.04 -1.25 -1.54 113.70 126.48 2ayy s SER 784 Ca -0.05 2.32 -0.19 0.00 0.48 0.00 0.00 55.95 58.51 2ayy s SER 784 Cb -0.01 -2.58 0.07 0.00 0.10 0.00 0.00 66.02 63.60 2ayy s SER 784 CO 0.04 -0.66 1.63 0.54 0.98 0.00 0.00 173.24 175.77 2ayy s VAL 785 N 1.19 4.10 0.00 5.02 0.11 -0.06 -4.70 120.40 126.06 2ayy s VAL 785 Ca 0.65 -1.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.12 2ayy s VAL 785 Cb -0.37 -5.14 0.00 0.00 -1.53 0.00 0.00 36.38 29.35 2ayy s VAL 785 CO 0.30 -1.98 0.00 0.00 -3.33 0.00 0.00 175.10 170.09 2ayy n ALA 786 N 8.42 0.73 -2.58 1.54 0.00 -1.26 -4.91 120.51 122.45 2ayy n ALA 786 Ca 0.43 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.56 2ayy n ALA 786 Cb 0.47 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.82 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 -3.21 2.96 0.00 0.00 0.00 -1.26 -5.01 121.76 115.25 2ayy s ALA 787 Ca 0.00 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.86 2ayy s ALA 787 Cb 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 2ayy s ALA 787 CO 0.00 0.62 1.44 -0.35 0.00 0.00 0.00 175.76 177.47 2ayy n PRO 788 N 1.30 0.72 -0.12 0.00 -0.04 -1.26 -3.70 135.00 131.90 2ayy n PRO 788 Ca -0.15 -0.03 -0.26 0.00 -0.04 0.00 0.00 63.50 63.03 2ayy n PRO 788 Cb 0.52 -1.19 -0.10 0.00 -0.04 0.00 0.00 33.50 32.70 2ayy n PRO 788 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2ayy n HIS 789 N 1.70 0.30 0.13 0.54 -0.00 -1.26 -4.52 115.22 112.12 2ayy n HIS 789 Ca 0.01 0.13 0.11 0.00 0.46 0.00 0.00 57.72 58.44 2ayy n HIS 789 Cb 0.36 -0.98 0.04 0.00 -0.12 0.00 0.00 29.99 29.29 2ayy n HIS 789 CO 0.00 0.00 0.00 0.93 0.46 0.00 0.00 176.34 177.73 2ayy h GLU 790 N -1.00 0.00 0.99 1.57 5.08 -1.98 -3.34 114.58 115.89 2ayy h GLU 790 Ca -0.54 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.77 2ayy h GLU 790 Cb 1.46 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.72 2ayy h GLU 790 CO -0.33 0.01 -0.47 -0.07 -1.00 0.00 0.00 179.01 177.14 2ayy h LEU 791 N 0.00 -1.12 -1.23 1.33 4.07 -1.80 -0.20 115.31 116.36 2ayy h LEU 791 Ca -0.00 0.04 -0.05 0.00 0.08 0.00 0.00 57.88 57.95 2ayy h LEU 791 Cb 1.01 0.29 -0.01 0.00 1.08 0.00 0.00 40.66 43.03 2ayy h LEU 791 CO 0.00 -0.79 -0.23 -0.65 -1.08 0.00 0.00 178.44 175.69 2ayy h PRO 792 N -1.34 0.00 -0.21 1.13 0.11 -1.79 -2.75 132.00 127.15 2ayy h PRO 792 Ca -0.14 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.93 2ayy h PRO 792 Cb 1.02 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2ayy h PRO 792 CO 0.22 0.23 -0.05 0.00 -0.21 0.00 0.00 178.00 178.20 2ayy h ALA 793 N 1.77 0.29 -0.58 -0.75 0.00 -1.65 -1.91 119.26 116.43 2ayy h ALA 793 Ca -0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2ayy h ALA 793 Cb 0.70 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2ayy h ALA 793 CO 0.03 0.07 0.21 1.25 0.00 0.00 0.00 179.25 180.80 2ayy h LEU 794 N 0.13 0.82 -0.11 0.00 5.85 -0.88 -1.66 115.31 119.46 2ayy h LEU 794 Ca 0.05 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2ayy h LEU 794 Cb 0.50 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ayy h LEU 794 CO 0.02 0.79 0.03 -0.07 -0.34 0.00 0.00 178.44 178.87 2ayy h LEU 795 N 0.81 0.03 -1.65 2.25 3.38 -1.44 -1.19 115.31 117.49 2ayy h LEU 795 Ca 0.19 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2ayy h LEU 795 Cb 0.24 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2ayy h LEU 795 CO -0.01 0.03 -0.19 0.00 0.09 0.00 0.00 178.44 178.36 2ayy h ALA 796 N 1.07 1.55 0.01 1.53 0.00 -1.22 -2.07 119.26 120.13 2ayy h ALA 796 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ayy h ALA 796 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2ayy h ALA 796 CO -0.06 0.24 -0.00 -0.09 0.00 0.00 0.00 179.25 179.34 2ayy h ARG 797 N 0.00 -0.01 -0.54 0.00 2.43 -0.55 0.74 114.38 116.45 2ayy h ARG 797 Ca -0.00 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.07 2ayy h ARG 797 Cb 0.37 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2ayy h ARG 797 CO 0.03 0.42 -0.05 0.82 -1.51 0.00 0.00 179.97 179.68 2ayy h ILE 798 N -0.45 1.27 -0.14 1.20 2.04 -1.00 -2.57 117.51 117.85 2ayy h ILE 798 Ca -0.00 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2ayy h ILE 798 Cb 0.44 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 2ayy h ILE 798 CO 0.00 0.42 0.00 0.00 0.00 0.00 0.00 178.15 178.57 2ayy n TYR 799 N -4.21 0.19 -3.72 1.37 4.19 -0.80 -4.91 117.16 109.27 2ayy n TYR 799 Ca 0.02 -0.09 -0.25 0.00 3.31 0.00 0.00 57.90 60.88 2ayy n TYR 799 Cb 0.37 0.00 0.03 0.00 0.49 0.00 0.00 39.34 40.22 2ayy n TYR 799 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 2ayy n LEU 800 N -0.08 -3.01 -0.01 2.98 -0.00 -0.97 -4.95 117.00 110.96 2ayy n LEU 800 Ca 0.08 -0.92 -0.00 0.00 -0.00 0.00 0.00 56.01 55.17 2ayy n LEU 800 Cb 0.15 -2.52 -0.00 0.00 -0.00 0.00 0.00 43.42 41.06 2ayy n LEU 800 CO 0.06 0.41 -0.03 0.40 -0.00 0.00 0.00 177.39 178.23 2ayy h ILE 801 N -1.81 0.00 0.00 1.96 1.08 -1.11 -3.50 117.51 114.13 2ayy h ILE 801 Ca -0.63 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2ayy h ILE 801 Cb 1.36 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 2ayy h ILE 801 CO 0.54 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 179.21 2ayy n GLU 802 N -2.48 0.00 -1.34 2.37 2.13 -1.25 -5.09 120.64 114.99 2ayy n GLU 802 Ca -0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.81 2ayy n GLU 802 Cb 0.02 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.73 2ayy n GLU 802 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2ayy n MET 803 N 0.00 -3.67 0.01 5.31 2.81 -1.26 -4.61 117.12 115.71 2ayy n MET 803 Ca 0.00 2.66 0.10 0.00 -1.81 0.00 0.00 57.70 58.65 2ayy n MET 803 Cb 0.00 -2.90 0.44 0.00 -0.71 0.00 0.00 33.22 30.05 2ayy n MET 803 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 2ayy n GLU 804 N 0.38 0.02 -3.52 0.03 0.00 -1.26 -4.91 120.64 111.38 2ayy n GLU 804 Ca 0.00 0.16 -0.24 0.00 0.00 0.00 0.00 57.16 57.08 2ayy n GLU 804 Cb 0.00 -1.53 0.05 0.00 0.00 0.00 0.00 31.44 29.97 2ayy n GLU 804 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2ayy n SER 805 N -1.56 -5.47 -4.57 -1.84 7.64 -1.26 -4.84 113.62 101.73 2ayy n SER 805 Ca 0.05 -0.88 -0.42 0.00 1.01 0.00 0.00 58.87 58.63 2ayy n SER 805 Cb 0.24 -4.14 -0.02 0.00 -1.01 0.00 0.00 64.21 59.29 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 -3.52 6.66 -0.42 6.43 2.15 -1.26 -4.89 116.67 121.83 2ayy s ASP 806 Ca 0.43 -1.93 0.03 0.00 0.43 0.00 0.00 52.55 51.51 2ayy s ASP 806 Cb -0.11 -2.57 0.12 0.00 -0.30 0.00 0.00 42.92 40.05 2ayy s ASP 806 CO 0.81 -1.35 0.16 -0.62 -0.17 0.00 0.00 175.17 174.01 2ayy s ASP 807 N 4.62 4.29 -1.09 -0.34 2.15 -1.26 -5.05 116.67 119.99 2ayy s ASP 807 Ca 0.50 -2.47 -0.09 0.00 0.43 0.00 0.00 52.55 50.93 2ayy s ASP 807 Cb 0.02 -1.41 0.27 0.00 -0.30 0.00 0.00 42.92 41.50 2ayy s ASP 807 CO -0.02 -0.31 1.08 -2.16 -0.17 0.00 0.00 175.17 173.60 2ayy s PRO 808 N 0.49 4.13 0.22 4.34 0.04 -1.26 -5.05 135.00 137.91 2ayy s PRO 808 Ca 0.14 -3.22 -0.28 0.00 0.04 0.00 0.00 61.00 57.68 2ayy s PRO 808 Cb -0.22 -4.51 -0.09 0.00 0.04 0.00 0.00 34.50 29.72 2ayy s PRO 808 CO -0.06 -1.24 0.88 0.00 0.04 0.00 0.00 177.00 176.62 2ayy s ALA 809 N -1.26 3.37 0.01 8.56 0.00 -1.26 -5.07 121.76 126.11 2ayy s ALA 809 Ca 0.30 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.82 2ayy s ALA 809 Cb -0.10 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 2ayy s ALA 809 CO -0.08 0.24 -0.09 1.21 0.00 0.00 0.00 175.76 177.04 2ayy s ASN 810 N -1.19 1.00 0.38 0.00 3.84 -1.26 -5.16 114.94 112.55 2ayy s ASN 810 Ca 0.40 -0.23 0.06 0.00 0.21 0.00 0.00 52.86 53.30 2ayy s ASN 810 Cb -0.25 -0.08 -0.07 0.00 -0.55 0.00 0.00 41.25 40.29 2ayy s ASN 810 CO 0.30 0.05 0.01 0.00 -2.79 0.00 0.00 177.10 174.67 2ayy s ALA 811 N -0.42 2.95 -0.16 1.71 0.00 -1.26 -5.14 121.76 119.44 2ayy s ALA 811 Ca 0.01 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 49.75 2ayy s ALA 811 Cb -0.05 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.36 2ayy s ALA 811 CO -0.00 -0.14 -0.14 -1.17 0.00 0.00 0.00 175.76 174.31 2ayy s LEU 812 N -3.64 1.81 0.41 0.00 2.96 -1.26 -5.13 118.68 113.83 2ayy s LEU 812 Ca 0.35 -0.56 -0.21 0.00 -0.22 0.00 0.00 54.13 53.49 2ayy s LEU 812 Cb 0.09 -1.21 -0.11 0.00 0.50 0.00 0.00 46.19 45.46 2ayy s LEU 812 CO 0.17 -0.07 0.92 -2.84 -1.32 0.00 0.00 176.35 173.22 2ayy s PRO 813 N 1.46 4.23 0.48 0.98 0.02 -1.26 -5.09 135.00 135.82 2ayy s PRO 813 Ca 0.04 1.08 0.03 0.00 0.02 0.00 0.00 61.00 62.17 2ayy s PRO 813 Cb -0.13 -2.25 0.02 0.00 0.02 0.00 0.00 34.50 32.15 2ayy s PRO 813 CO -0.10 0.01 0.68 -1.12 -0.33 0.00 0.00 177.00 176.14 2ayy s SER 814 N -2.15 5.54 -0.19 2.53 0.01 -1.26 -5.10 113.70 113.08 2ayy s SER 814 Ca 0.60 -0.05 -0.00 0.00 1.31 0.00 0.00 55.95 57.81 2ayy s SER 814 Cb -0.10 -1.01 0.05 0.00 0.21 0.00 0.00 66.02 65.17 2ayy s SER 814 CO 0.14 -0.90 -0.06 -0.89 0.41 0.00 0.00 173.24 171.94 2ayy s THR 815 N -2.58 1.29 0.00 1.44 2.01 -1.26 -5.36 115.64 111.18 2ayy s THR 815 Ca 0.54 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.69 2ayy s THR 815 Cb -0.10 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.93 2ayy s THR 815 CO 0.36 0.06 0.47 -0.67 -0.69 0.00 0.00 174.62 174.16