#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 1.77 3.83 -5.12 0.00 -1.26 -5.17 105.19 99.24 2ayy n GLY 697 Ca 0.00 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 2ayy n GLY 697 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2ayy s GLY 698 N -3.07 2.08 0.45 -0.02 0.00 -1.26 -5.09 107.32 100.41 2ayy s GLY 698 Ca 0.24 -0.92 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 2ayy s GLY 698 CO 0.17 -0.88 1.04 -0.56 0.00 0.00 0.00 173.10 172.88 2ayy s SER 699 N -2.30 6.52 0.00 1.64 0.01 -1.26 -5.05 113.70 113.26 2ayy s SER 699 Ca 0.30 1.98 0.00 0.00 1.31 0.00 0.00 55.95 59.54 2ayy s SER 699 Cb -0.12 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.53 2ayy s SER 699 CO 0.22 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.83 2ayy n GLY 700 N -0.00 1.76 0.00 3.44 0.00 -1.26 -5.18 105.19 103.96 2ayy n GLY 700 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2ayy n GLY 700 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ayy n VAL 701 N 0.00 0.00 -4.58 1.61 0.24 -1.26 -5.18 118.33 109.16 2ayy n VAL 701 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 2ayy n VAL 701 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 2ayy n VAL 701 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 2ayy s GLU 702 N 1.27 2.06 -0.47 7.34 8.01 -1.26 -5.07 118.70 130.58 2ayy s GLU 702 Ca 0.00 -2.15 -0.28 0.00 0.01 0.00 0.00 54.97 52.56 2ayy s GLU 702 Cb 0.00 -1.67 -0.01 0.00 -4.31 0.00 0.00 34.13 28.15 2ayy s GLU 702 CO 0.00 -0.15 1.66 0.20 0.01 0.00 0.00 175.26 176.98 2ayy s GLY 703 N -3.79 0.71 -0.38 -1.39 0.00 -1.26 -4.92 107.32 96.29 2ayy s GLY 703 Ca 0.29 -0.26 -0.28 0.00 0.00 0.00 0.00 44.72 44.47 2ayy s GLY 703 CO 0.15 3.11 1.94 1.08 0.00 0.00 0.00 173.10 179.38 2ayy s LEU 704 N 7.01 3.44 0.07 0.66 2.01 -1.26 -4.96 118.68 125.66 2ayy s LEU 704 Ca 0.67 1.18 0.06 0.00 0.01 0.00 0.00 54.13 56.05 2ayy s LEU 704 Cb -0.16 -3.22 -0.03 0.00 0.01 0.00 0.00 46.19 42.80 2ayy s LEU 704 CO 0.28 -2.00 -0.16 -0.44 1.01 0.00 0.00 176.35 175.05 2ayy s SER 705 N 7.45 1.85 0.00 2.29 0.01 -1.26 -5.12 113.70 118.91 2ayy s SER 705 Ca 0.82 -0.61 0.00 0.00 1.31 0.00 0.00 55.95 57.47 2ayy s SER 705 Cb -0.21 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 65.94 2ayy s SER 705 CO 0.31 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.53 2ayy n GLY 706 N 1.33 3.12 3.72 3.44 0.00 -1.26 -5.11 105.19 110.43 2ayy n GLY 706 Ca -0.20 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 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 2.40 4.38 0.02 1.61 3.01 -1.26 -5.03 119.74 124.88 2ayy s LYS 707 Ca 0.00 0.67 0.07 0.00 -1.01 0.00 0.00 55.97 55.70 2ayy s LYS 707 Cb 0.00 -3.44 -0.03 0.00 -1.01 0.00 0.00 37.83 33.35 2ayy s LYS 707 CO 0.00 0.13 -0.19 0.50 0.51 0.00 0.00 175.35 176.29 2ayy s ARG 708 N 0.66 2.10 0.06 1.68 3.00 -1.26 -1.40 118.95 123.79 2ayy s ARG 708 Ca 0.32 -0.95 -0.04 0.00 -1.00 0.00 0.00 55.73 54.06 2ayy s ARG 708 Cb -0.16 -2.18 -0.02 0.00 0.00 0.00 0.00 34.95 32.58 2ayy s ARG 708 CO 0.14 0.55 0.05 0.00 0.00 0.00 0.00 175.30 176.04 2ayy s TRP 710 N -3.67 2.10 -0.04 0.00 0.52 -0.39 -0.78 118.94 116.68 2ayy s TRP 710 Ca 0.04 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.79 2ayy s TRP 710 Cb 0.05 -1.20 0.01 0.00 -1.15 0.00 0.00 33.47 31.19 2ayy s TRP 710 CO -0.09 0.20 -0.08 -0.48 0.02 0.00 0.00 176.95 176.52 2ayy s LEU 711 N -1.61 1.55 -0.55 2.99 2.34 0.28 -0.61 118.68 123.08 2ayy s LEU 711 Ca 0.10 -0.18 0.07 0.00 0.06 0.00 0.00 54.13 54.18 2ayy s LEU 711 Cb -0.10 -0.56 0.27 0.00 -0.56 0.00 0.00 46.19 45.25 2ayy s LEU 711 CO 0.04 0.00 0.73 0.00 -1.06 0.00 0.00 176.35 176.06 2ayy n ALA 712 N 3.74 3.63 -2.79 1.48 0.00 0.18 -0.95 120.51 125.81 2ayy n ALA 712 Ca -0.23 -4.33 -0.36 0.00 0.00 0.00 0.00 53.44 48.53 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 -2.54 5.45 0.08 0.00 1.01 -1.26 -2.52 120.40 120.61 2ayy s VAL 713 Ca 0.40 0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 2ayy s VAL 713 Cb 0.20 -3.44 -0.28 0.00 0.00 0.00 0.00 36.38 32.85 2ayy s VAL 713 CO -0.06 0.52 1.14 0.03 0.00 0.00 0.00 175.10 176.72 2ayy h ARG 714 N 5.95 0.25 -6.20 2.72 3.08 -1.98 -3.42 114.38 114.77 2ayy h ARG 714 Ca -0.47 -0.43 -0.59 0.00 0.07 0.00 0.00 59.98 58.57 2ayy h ARG 714 Cb 1.18 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 31.29 2ayy h ARG 714 CO 0.68 1.20 0.72 1.21 -1.07 0.00 0.00 179.97 182.71 2ayy s ASN 715 N -7.11 6.43 0.31 7.04 3.84 -1.26 -4.90 114.94 119.28 2ayy s ASN 715 Ca -0.04 -0.05 0.02 0.00 0.21 0.00 0.00 52.86 52.99 2ayy s ASN 715 Cb 0.07 -2.48 0.49 0.00 -0.55 0.00 0.00 41.25 38.78 2ayy s ASN 715 CO 0.88 -1.27 1.84 0.00 -2.79 0.00 0.00 177.10 175.76 2ayy h ALA 716 N 9.33 1.27 -0.20 1.71 0.00 -1.99 0.64 119.26 130.02 2ayy h ALA 716 Ca -0.25 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2ayy h ALA 716 Cb 1.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2ayy h ALA 716 CO 1.11 0.49 -0.01 0.77 0.00 0.00 0.00 179.25 181.61 2ayy h SER 717 N 0.63 0.35 -0.56 0.00 0.02 -1.98 -0.19 113.55 111.82 2ayy h SER 717 Ca 0.13 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 2ayy h SER 717 Cb 0.35 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 2ayy h SER 717 CO 0.01 0.59 0.22 0.25 -1.14 0.00 0.00 176.83 176.75 2ayy h LEU 718 N 0.11 0.77 -0.47 5.07 6.46 -1.91 -2.51 115.31 122.83 2ayy h LEU 718 Ca 0.06 -0.17 -0.02 0.00 -0.12 0.00 0.00 57.88 57.63 2ayy h LEU 718 Cb 0.41 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2ayy h LEU 718 CO 0.01 0.74 0.23 0.00 -0.62 0.00 0.00 178.44 178.80 2ayy h GLN 720 N 0.62 0.78 0.07 0.00 4.15 -0.92 -0.64 115.11 119.17 2ayy h GLN 720 Ca 0.16 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2ayy h GLN 720 Cb 0.11 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 27.67 2ayy h GLN 720 CO -0.02 0.68 -0.03 0.35 -1.93 0.00 0.00 178.83 177.88 2ayy h PHE 721 N 0.77 -0.08 -0.43 3.99 3.57 -1.10 -2.36 116.94 121.29 2ayy h PHE 721 Ca 0.18 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.55 2ayy h PHE 721 Cb 0.22 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 2ayy h PHE 721 CO 0.01 0.20 -0.23 1.37 -2.23 0.00 0.00 178.31 177.44 2ayy h LEU 722 N -0.37 0.94 -0.48 0.59 8.10 -1.16 -1.91 115.31 121.01 2ayy h LEU 722 Ca -0.01 -0.41 -0.07 0.00 0.11 0.00 0.00 57.88 57.50 2ayy h LEU 722 Cb 0.32 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.27 2ayy h LEU 722 CO 0.02 1.14 0.04 1.05 -4.11 0.00 0.00 178.44 176.58 2ayy h GLU 723 N 0.74 0.83 -0.67 0.17 4.11 -1.17 0.12 114.58 118.71 2ayy h GLU 723 Ca 0.09 -0.24 -0.07 0.00 0.07 0.00 0.00 59.36 59.21 2ayy h GLU 723 Cb 0.80 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2ayy h GLU 723 CO 0.07 0.85 0.13 1.15 0.07 0.00 0.00 179.01 181.27 2ayy h THR 724 N 0.69 1.26 -0.28 -1.06 2.02 -1.38 -0.59 112.91 113.58 2ayy h THR 724 Ca 0.14 -1.00 -0.15 0.00 0.77 0.00 0.00 66.41 66.17 2ayy h THR 724 Cb 0.45 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2ayy h THR 724 CO 0.02 0.38 -0.40 0.28 0.37 0.00 0.00 175.52 176.17 2ayy h SER 725 N 1.02 0.83 0.54 4.18 0.02 -1.07 -3.08 113.55 115.99 2ayy h SER 725 Ca 0.21 -0.51 -0.17 0.00 -0.84 0.00 0.00 61.79 60.48 2ayy h SER 725 Cb 0.41 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2ayy h SER 725 CO 0.01 1.18 -0.73 0.25 -1.14 0.00 0.00 176.83 176.39 2ayy h LEU 726 N 0.51 0.19 -1.06 5.07 5.85 -0.89 -2.79 115.31 122.19 2ayy h LEU 726 Ca 0.03 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2ayy h LEU 726 Cb 0.99 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.96 2ayy h LEU 726 CO 0.09 0.86 0.00 1.56 -0.34 0.00 0.00 178.44 180.61 2ayy h GLN 727 N 0.10 0.00 0.00 1.25 4.20 -1.09 -1.87 115.11 117.71 2ayy h GLN 727 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2ayy h GLN 727 Cb 1.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.07 2ayy h GLN 727 CO 0.11 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.81 2ayy n ARG 728 N -2.43 0.11 0.00 1.46 5.12 -1.05 -1.31 116.66 118.55 2ayy n ARG 728 Ca 0.01 0.41 0.12 0.00 -1.93 0.00 0.00 57.85 56.46 2ayy n ARG 728 Cb 0.20 -1.73 0.21 0.00 -1.16 0.00 0.00 32.46 29.98 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 -1.94 1.65 -0.91 0.55 2.88 -0.70 -4.96 113.62 110.19 2ayy n SER 729 Ca 0.02 -1.30 0.00 0.00 -1.33 0.00 0.00 58.87 56.26 2ayy n SER 729 Cb 0.16 0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.36 0.59 3.00 0.46 0.00 -0.43 -5.10 105.19 105.07 2ayy n GLY 730 Ca 0.12 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.64 0.71 -0.26 -0.61 1.01 -1.25 -4.57 121.20 113.58 2ayy s ILE 731 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.18 2ayy s ILE 731 Cb 0.00 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.81 2ayy s ILE 731 CO 0.00 0.22 0.27 0.54 0.00 0.00 0.00 174.94 175.96 2ayy s VAL 732 N 0.07 5.26 0.39 2.92 0.11 -0.49 -4.39 120.40 124.27 2ayy s VAL 732 Ca -0.01 0.36 -0.00 0.00 -2.93 0.00 0.00 61.98 59.40 2ayy s VAL 732 Cb -0.07 -3.60 -0.03 0.00 -1.53 0.00 0.00 36.38 31.16 2ayy s VAL 732 CO 0.00 0.24 0.61 -0.69 -3.33 0.00 0.00 175.10 171.93 2ayy s VAL 733 N 1.70 4.81 -0.11 2.04 1.01 -1.26 -1.40 120.40 127.19 2ayy s VAL 733 Ca 0.11 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.64 2ayy s VAL 733 Cb -0.15 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.49 2ayy s VAL 733 CO 0.09 -0.55 0.27 -0.89 0.00 0.00 0.00 175.10 174.03 2ayy s THR 734 N -2.44 -0.02 -0.08 3.92 2.01 0.04 -4.89 115.64 114.18 2ayy s THR 734 Ca 0.43 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 2ayy s THR 734 Cb -0.10 -0.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 2ayy s THR 734 CO 0.38 0.03 1.72 -0.89 -0.69 0.00 0.00 174.62 175.16 2ayy s THR 735 N 0.76 3.50 -0.27 -0.82 2.01 -1.26 -0.56 115.64 119.01 2ayy s THR 735 Ca -0.05 0.59 -0.26 0.00 0.31 0.00 0.00 61.69 62.28 2ayy s THR 735 Cb -0.06 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.03 2ayy s THR 735 CO -0.05 -0.09 0.90 -0.47 -0.69 0.00 0.00 174.62 174.22 2ayy s TYR 736 N 4.50 3.26 0.00 4.92 5.04 -0.13 -4.85 117.35 130.09 2ayy s TYR 736 Ca 0.76 1.13 0.00 0.00 -2.44 0.00 0.00 57.07 56.53 2ayy s TYR 736 Cb -0.33 -3.24 0.00 0.00 0.35 0.00 0.00 41.96 38.74 2ayy s TYR 736 CO 0.31 -0.52 0.00 0.39 -1.34 0.00 0.00 175.55 174.39 2ayy n GLU 737 N 6.26 0.00 -2.80 4.97 1.02 -1.26 -4.71 120.64 124.12 2ayy n GLU 737 Ca 0.07 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.21 2ayy n GLU 737 Cb 0.47 -0.01 0.06 0.00 -0.02 0.00 0.00 31.44 31.95 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 3.60 1.82 3.97 0.62 0.00 -1.26 -5.12 105.19 108.82 2ayy n GLY 738 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 2ayy n GLY 738 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ayy s GLN 739 N -3.00 2.44 0.03 1.61 1.11 -1.26 -5.08 119.66 115.51 2ayy s GLN 739 Ca 0.24 -0.74 -0.17 0.00 0.01 0.00 0.00 55.36 54.70 2ayy s GLN 739 Cb 0.35 -2.43 -0.06 0.00 -1.01 0.00 0.00 33.01 29.85 2ayy s GLN 739 CO -0.05 -0.83 0.49 -1.21 0.01 0.00 0.00 175.29 173.69 2ayy s GLU 740 N -4.85 4.07 0.63 2.91 0.41 -1.26 -5.08 118.70 115.53 2ayy s GLU 740 Ca 0.58 0.58 -0.12 0.00 -0.41 0.00 0.00 54.97 55.60 2ayy s GLU 740 Cb -0.10 -3.23 -0.03 0.00 -1.78 0.00 0.00 34.13 28.99 2ayy s GLU 740 CO 0.40 0.65 1.04 -2.14 -0.49 0.00 0.00 175.26 174.72 2ayy s PRO 741 N -1.06 3.35 0.07 0.39 0.02 -1.26 -5.09 135.00 131.43 2ayy s PRO 741 Ca 0.26 0.91 0.09 0.00 0.02 0.00 0.00 61.00 62.29 2ayy s PRO 741 Cb -0.18 -2.05 -0.03 0.00 0.02 0.00 0.00 34.50 32.26 2ayy s PRO 741 CO 0.16 -0.77 -0.25 0.99 -0.33 0.00 0.00 177.00 176.80 2ayy s THR 742 N -2.97 2.07 -2.00 0.99 2.01 -1.26 -4.81 115.64 109.67 2ayy s THR 742 Ca 0.58 -1.48 0.04 0.00 0.31 0.00 0.00 61.69 61.13 2ayy s THR 742 Cb -0.13 -1.80 0.10 0.00 0.01 0.00 0.00 72.50 70.69 2ayy s THR 742 CO 0.49 0.23 0.64 -0.81 -0.69 0.00 0.00 174.62 174.48 2ayy n PRO 743 N 1.47 0.14 0.00 4.92 -0.04 -1.26 -1.48 135.00 138.75 2ayy n PRO 743 Ca -0.17 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.31 2ayy n PRO 743 Cb 0.53 -1.42 -0.02 0.00 -0.04 0.00 0.00 33.50 32.54 2ayy n PRO 743 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2ayy n GLU 744 N -0.92 4.72 -3.77 0.54 -0.58 -1.26 -3.75 120.64 115.62 2ayy n GLU 744 Ca 0.03 -0.11 -0.21 0.00 -0.42 0.00 0.00 57.16 56.44 2ayy n GLU 744 Cb 0.01 -0.76 -0.03 0.00 -0.57 0.00 0.00 31.44 30.09 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 -1.27 5.25 0.02 1.62 1.47 -0.55 -4.68 116.67 118.54 2ayy s ASP 745 Ca 0.02 -0.54 0.06 0.00 1.18 0.00 0.00 52.55 53.27 2ayy s ASP 745 Cb 0.03 -0.90 -0.02 0.00 -0.34 0.00 0.00 42.92 41.69 2ayy s ASP 745 CO 0.16 -0.41 -0.17 0.68 0.68 0.00 0.00 175.17 176.11 2ayy s VAL 746 N -2.33 1.38 -0.63 2.11 -7.23 -1.26 -1.22 120.40 111.22 2ayy s VAL 746 Ca 0.42 -0.94 -0.19 0.00 -1.81 0.00 0.00 61.98 59.46 2ayy s VAL 746 Cb -0.05 -1.19 0.11 0.00 0.56 0.00 0.00 36.38 35.80 2ayy s VAL 746 CO 0.27 0.23 0.76 -0.22 -0.31 0.00 0.00 175.10 175.83 2ayy s LEU 747 N -0.83 5.30 -0.54 1.32 0.20 -0.90 -1.26 118.68 121.98 2ayy s LEU 747 Ca 0.06 -1.46 -0.27 0.00 0.69 0.00 0.00 54.13 53.15 2ayy s LEU 747 Cb -0.08 -2.32 0.03 0.00 -0.43 0.00 0.00 46.19 43.40 2ayy s LEU 747 CO 0.01 -1.13 1.07 -0.63 -0.29 0.00 0.00 176.35 175.37 2ayy s ILE 748 N 2.76 4.22 0.14 6.68 1.01 0.22 -0.76 121.20 135.48 2ayy s ILE 748 Ca 0.14 0.74 0.11 0.00 0.00 0.00 0.00 60.65 61.63 2ayy s ILE 748 Cb -0.22 -4.61 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 2ayy s ILE 748 CO 0.05 -1.16 -0.25 -0.89 0.00 0.00 0.00 174.94 172.70 2ayy s THR 749 N 4.41 2.18 0.06 2.92 2.01 0.26 -0.64 115.64 126.84 2ayy s THR 749 Ca 0.39 -1.80 0.05 0.00 0.31 0.00 0.00 61.69 60.64 2ayy s THR 749 Cb -0.09 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2ayy s THR 749 CO 0.25 0.00 -0.15 -0.62 -0.69 0.00 0.00 174.62 173.40 2ayy s ASP 750 N -2.21 1.81 1.24 3.53 2.15 -1.05 -0.88 116.67 121.26 2ayy s ASP 750 Ca 0.15 -0.56 0.00 0.00 0.43 0.00 0.00 52.55 52.56 2ayy s ASP 750 Cb -0.09 -0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.44 2ayy s ASP 750 CO 0.07 -0.01 0.00 1.21 -0.17 0.00 0.00 175.17 176.27 2ayy n GLU 751 N 1.50 0.00 -3.77 4.34 2.13 -0.83 -4.47 120.64 119.55 2ayy n GLU 751 Ca -0.20 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.36 2ayy n GLU 751 Cb 0.54 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.08 2ayy n GLU 751 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2ayy s VAL 752 N 0.00 0.59 -0.46 6.31 0.11 -1.26 -4.59 120.40 121.10 2ayy s VAL 752 Ca 0.00 -0.41 0.22 0.00 -2.93 0.00 0.00 61.98 58.86 2ayy s VAL 752 Cb 0.00 -0.96 -0.26 0.00 -1.53 0.00 0.00 36.38 33.63 2ayy s VAL 752 CO 0.00 -0.04 0.72 0.52 -3.33 0.00 0.00 175.10 172.97 2ayy n VAL 753 N 5.04 0.04 -3.58 2.04 0.31 -1.26 -5.00 118.33 115.92 2ayy n VAL 753 Ca -0.09 -0.29 -0.23 0.00 -0.01 0.00 0.00 64.34 63.72 2ayy n VAL 753 Cb 0.48 0.37 0.08 0.00 -0.91 0.00 0.00 33.84 33.86 2ayy n VAL 753 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2ayy n SER 754 N -1.96 -5.63 -4.02 4.52 7.64 -1.26 -5.00 113.62 107.91 2ayy n SER 754 Ca -0.00 -0.56 -0.08 0.00 1.01 0.00 0.00 58.87 59.24 2ayy n SER 754 Cb 0.47 -5.03 -0.10 0.00 -1.01 0.00 0.00 64.21 58.53 2ayy n SER 754 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2ayy s LYS 755 N -6.17 0.49 0.18 1.43 3.01 -1.26 -4.94 119.74 112.49 2ayy s LYS 755 Ca 0.49 -0.89 0.06 0.00 -1.01 0.00 0.00 55.97 54.62 2ayy s LYS 755 Cb -0.22 0.17 -0.04 0.00 -1.01 0.00 0.00 37.83 36.74 2ayy s LYS 755 CO 0.73 -0.09 0.09 0.21 0.51 0.00 0.00 175.35 176.80 2ayy s LYS 756 N -2.70 2.71 0.08 1.68 2.20 -1.26 -4.56 119.74 117.89 2ayy s LYS 756 Ca -0.04 -1.00 -0.23 0.00 -0.36 0.00 0.00 55.97 54.34 2ayy s LYS 756 Cb -0.01 -2.51 -0.07 0.00 -1.51 0.00 0.00 37.83 33.73 2ayy s LYS 756 CO -0.05 0.46 0.69 -0.46 -0.36 0.00 0.00 175.35 175.62 2ayy s TRP 757 N -1.82 3.80 -0.40 4.03 -0.00 -1.26 -4.96 118.94 118.32 2ayy s TRP 757 Ca 0.30 1.43 0.05 0.00 -0.00 0.00 0.00 56.10 57.88 2ayy s TRP 757 Cb -0.09 -2.68 0.48 0.00 -0.00 0.00 0.00 33.47 31.18 2ayy s TRP 757 CO 0.22 0.45 1.55 1.04 -0.00 0.00 0.00 176.95 180.21 2ayy n GLN 758 N 2.11 2.70 0.00 5.86 3.00 -1.26 -4.94 117.38 124.85 2ayy n GLN 758 Ca -0.06 -3.55 0.00 0.00 -0.01 0.00 0.00 57.00 53.38 2ayy n GLN 758 Cb 0.50 -2.12 0.00 0.00 0.00 0.00 0.00 30.24 28.61 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 -0.93 2.34 0.05 1.08 0.00 -1.26 -4.55 105.19 101.92 2ayy n GLY 759 Ca 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.04 -3.18 1.61 2.43 -1.08 -3.43 114.38 110.70 2ayy h ARG 760 Ca 0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2ayy h ARG 760 Cb 0.00 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 29.46 2ayy h ARG 760 CO 0.00 -0.02 0.10 0.00 -1.51 0.00 0.00 179.97 178.54 2ayy s ALA 761 N -2.77 -1.15 -0.04 2.80 0.00 -1.21 -4.86 121.76 114.52 2ayy s ALA 761 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.94 2ayy s ALA 761 Cb 0.00 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.95 2ayy s ALA 761 CO 0.02 -0.82 -0.12 0.08 0.00 0.00 0.00 175.76 174.91 2ayy s VAL 762 N -3.84 3.25 -0.45 0.00 1.01 -0.05 -2.11 120.40 118.20 2ayy s VAL 762 Ca 0.07 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.37 2ayy s VAL 762 Cb -0.02 -2.31 0.12 0.00 0.00 0.00 0.00 36.38 34.17 2ayy s VAL 762 CO -0.04 0.55 0.18 -0.69 0.00 0.00 0.00 175.10 175.10 2ayy s VAL 763 N -0.80 2.47 -0.30 2.92 1.01 0.06 -0.54 120.40 125.23 2ayy s VAL 763 Ca 0.13 -2.97 -0.07 0.00 0.00 0.00 0.00 61.98 59.07 2ayy s VAL 763 Cb -0.11 -2.75 0.01 0.00 0.00 0.00 0.00 36.38 33.53 2ayy s VAL 763 CO 0.02 -0.73 0.09 0.42 0.00 0.00 0.00 175.10 174.90 2ayy s THR 764 N 0.14 4.02 -0.68 3.92 -4.23 0.25 -0.57 115.64 118.49 2ayy s THR 764 Ca 0.15 -0.67 -0.22 0.00 -1.18 0.00 0.00 61.69 59.77 2ayy s THR 764 Cb -0.23 -3.07 0.08 0.00 1.34 0.00 0.00 72.50 70.62 2ayy s THR 764 CO -0.03 0.08 0.94 -0.36 -0.54 0.00 0.00 174.62 174.71 2ayy s PHE 765 N 1.51 2.77 -0.05 3.99 0.40 -0.06 -1.13 117.98 125.41 2ayy s PHE 765 Ca 0.03 -0.71 -0.10 0.00 -0.60 0.00 0.00 56.93 55.54 2ayy s PHE 765 Cb -0.17 -4.25 -0.05 0.00 0.51 0.00 0.00 43.02 39.06 2ayy s PHE 765 CO 0.03 -1.57 0.27 0.00 0.70 0.00 0.00 175.22 174.64 2ayy h ARG 767 N 4.73 0.00 0.00 0.00 2.47 -1.86 -2.42 114.38 117.30 2ayy h ARG 767 Ca -0.53 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.34 2ayy h ARG 767 Cb 1.22 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.51 2ayy h ARG 767 CO 0.60 0.43 0.49 2.89 0.56 0.00 0.00 179.97 184.94 2ayy n ARG 768 N -3.43 0.39 -2.42 0.04 1.85 -1.26 -4.86 116.66 106.98 2ayy n ARG 768 Ca 0.00 -0.96 -0.37 0.00 -1.00 0.00 0.00 57.85 55.52 2ayy n ARG 768 Cb 0.59 1.34 -0.03 0.00 -1.05 0.00 0.00 32.46 33.30 2ayy n ARG 768 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 2ayy s HIS 769 N -2.96 2.36 0.00 2.89 5.65 -1.26 -4.92 115.29 117.06 2ayy s HIS 769 Ca 0.18 -0.52 0.00 0.00 0.25 0.00 0.00 55.06 54.96 2ayy s HIS 769 Cb -0.02 -4.52 0.00 0.00 -1.18 0.00 0.00 32.58 26.87 2ayy s HIS 769 CO 0.03 -1.84 0.00 -0.89 -0.65 0.00 0.00 174.74 171.39 2ayy n ILE 770 N 7.11 0.00 0.46 0.89 -0.00 -1.26 -4.95 119.36 121.61 2ayy n ILE 770 Ca 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 63.11 2ayy n ILE 770 Cb 0.49 0.00 0.09 0.00 -0.00 0.00 0.00 39.64 40.22 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 5.00 2.19 3.77 7.39 0.00 -1.26 -4.84 105.19 117.44 2ayy n GLY 771 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.26 4.78 0.18 -0.61 1.01 -1.26 -4.11 121.20 119.93 2ayy s ILE 772 Ca 0.15 -0.18 -0.33 0.00 0.00 0.00 0.00 60.65 60.28 2ayy s ILE 772 Cb 0.12 -3.09 -0.13 0.00 0.01 0.00 0.00 42.46 39.36 2ayy s ILE 772 CO 0.04 0.52 1.62 -2.65 0.00 0.00 0.00 174.94 174.46 2ayy n PRO 773 N 1.75 2.35 -3.27 2.79 -0.02 -1.26 -5.00 135.00 132.33 2ayy n PRO 773 Ca -0.17 0.85 -0.22 0.00 -2.02 0.00 0.00 63.50 61.94 2ayy n PRO 773 Cb 0.54 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2ayy n PRO 773 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2ayy s LEU 774 N 0.92 3.86 0.00 2.45 2.96 -1.26 -4.79 118.68 122.81 2ayy s LEU 774 Ca 0.77 0.14 0.00 0.00 -0.22 0.00 0.00 54.13 54.82 2ayy s LEU 774 Cb -0.62 -3.03 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2ayy s LEU 774 CO 0.37 -0.51 0.00 1.21 -1.32 0.00 0.00 176.35 176.10 2ayy n GLU 775 N -1.85 0.00 -1.32 1.98 2.13 -1.26 -4.73 120.64 115.60 2ayy n GLU 775 Ca -0.01 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.70 2ayy n GLU 775 Cb 0.58 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.24 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 -1.55 -3.64 5.31 5.02 -1.26 -4.86 118.16 117.18 2ayy n LYS 776 Ca 0.00 0.87 -0.05 0.00 -2.02 0.00 0.00 58.31 57.11 2ayy n LYS 776 Cb 0.00 -5.21 -0.07 0.00 -0.02 0.00 0.00 35.03 29.74 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 -2.01 -2.19 -0.20 7.82 0.00 -1.26 -5.12 121.76 118.79 2ayy s ALA 777 Ca 0.00 1.99 -0.31 0.00 0.00 0.00 0.00 51.96 53.64 2ayy s ALA 777 Cb 0.00 -1.64 -0.08 0.00 0.00 0.00 0.00 23.12 21.40 2ayy s ALA 777 CO 0.00 -0.27 2.14 -2.30 0.00 0.00 0.00 175.76 175.34 2ayy n PRO 778 N 2.79 1.91 0.00 0.00 -0.02 -1.26 -2.37 135.00 136.05 2ayy n PRO 778 Ca -0.15 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2ayy n PRO 778 Cb 0.57 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 2ayy n PRO 778 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ayy n GLY 779 N 5.61 1.44 3.25 -1.23 0.00 -1.26 -5.09 105.19 107.90 2ayy n GLY 779 Ca 0.30 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 2ayy n GLY 779 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ayy s GLU 780 N 0.00 3.22 -0.38 1.61 1.03 -1.00 -0.87 118.70 122.30 2ayy s GLU 780 Ca 0.00 -0.73 -0.01 0.00 0.03 0.00 0.00 54.97 54.26 2ayy s GLU 780 Cb 0.00 -2.73 0.10 0.00 -0.80 0.00 0.00 34.13 30.70 2ayy s GLU 780 CO 0.00 -0.10 0.15 -1.58 -1.33 0.00 0.00 175.26 172.40 2ayy s TRP 781 N 1.12 3.60 -0.07 4.83 0.52 0.30 -3.99 118.94 125.26 2ayy s TRP 781 Ca 0.01 -2.51 -0.04 0.00 0.02 0.00 0.00 56.10 53.57 2ayy s TRP 781 Cb -0.14 -3.05 -0.04 0.00 -1.15 0.00 0.00 33.47 29.09 2ayy s TRP 781 CO -0.04 -0.95 0.13 0.54 0.02 0.00 0.00 176.95 176.64 2ayy s VAL 782 N 1.09 5.25 -0.24 4.03 0.11 -1.26 -0.58 120.40 128.81 2ayy s VAL 782 Ca 0.08 -0.03 -0.21 0.00 -2.93 0.00 0.00 61.98 58.89 2ayy s VAL 782 Cb -0.22 -3.34 0.06 0.00 -1.53 0.00 0.00 36.38 31.35 2ayy s VAL 782 CO -0.05 0.50 0.62 -2.28 -3.33 0.00 0.00 175.10 170.56 2ayy s HIS 783 N -1.12 -0.71 0.27 1.54 5.04 -0.29 -4.83 115.29 115.19 2ayy s HIS 783 Ca 0.19 1.69 -0.30 0.00 -1.54 0.00 0.00 55.06 55.11 2ayy s HIS 783 Cb -0.12 0.27 -0.10 0.00 0.04 0.00 0.00 32.58 32.67 2ayy s HIS 783 CO 0.09 -0.35 1.39 -1.12 -2.34 0.00 0.00 174.74 172.42 2ayy s SER 784 N 0.47 6.70 -1.05 9.88 0.01 -1.24 -0.75 113.70 127.71 2ayy s SER 784 Ca -0.01 2.66 -0.24 0.00 1.31 0.00 0.00 55.95 59.66 2ayy s SER 784 Cb -0.05 -2.63 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 2ayy s SER 784 CO -0.01 -0.65 2.01 -0.69 0.41 0.00 0.00 173.24 174.32 2ayy s VAL 785 N -0.32 3.38 0.01 3.43 1.01 -0.91 -4.54 120.40 122.46 2ayy s VAL 785 Ca 0.56 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 2ayy s VAL 785 Cb -0.41 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 2ayy s VAL 785 CO 0.46 -0.73 -0.09 0.00 0.00 0.00 0.00 175.10 174.74 2ayy n ALA 786 N 15.60 2.30 -3.48 5.51 0.00 -1.26 -4.98 120.51 134.20 2ayy n ALA 786 Ca 0.43 -0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.36 2ayy n ALA 786 Cb 0.46 0.15 -0.17 0.00 0.00 0.00 0.00 19.45 19.90 2ayy n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayy s ALA 787 N -2.29 1.73 0.44 0.00 0.00 -1.26 -5.02 121.76 115.36 2ayy s ALA 787 Ca -0.07 -0.72 0.22 0.00 0.00 0.00 0.00 51.96 51.39 2ayy s ALA 787 Cb 0.01 -0.76 1.21 0.00 0.00 0.00 0.00 23.12 23.58 2ayy s ALA 787 CO 0.11 0.08 1.82 -1.35 0.00 0.00 0.00 175.76 176.42 2ayy h PRO 788 N 7.09 0.28 0.00 0.00 0.11 -1.97 -1.39 132.00 136.12 2ayy h PRO 788 Ca -0.28 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.81 2ayy h PRO 788 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2ayy h PRO 788 CO 0.48 0.19 -0.01 1.25 -0.21 0.00 0.00 178.00 179.70 2ayy h HIS 789 N 0.29 0.00 0.00 0.65 -0.00 -2.03 -2.61 115.15 111.45 2ayy h HIS 789 Ca 0.53 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.84 2ayy h HIS 789 Cb 1.54 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.94 2ayy h HIS 789 CO -0.00 0.01 -0.28 0.93 -0.00 0.00 0.00 177.93 178.59 2ayy h GLU 790 N 0.00 0.00 0.32 5.26 5.08 -1.68 -3.15 114.58 120.41 2ayy h GLU 790 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ayy h GLU 790 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2ayy h GLU 790 CO 0.00 0.28 -0.15 1.25 -1.00 0.00 0.00 179.01 179.39 2ayy h LEU 791 N 0.00 -0.36 -1.53 1.33 5.85 -1.62 -2.50 115.31 116.49 2ayy h LEU 791 Ca -0.00 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 2ayy h LEU 791 Cb 0.89 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 2ayy h LEU 791 CO 0.04 0.11 -0.24 -0.65 -0.34 0.00 0.00 178.44 177.36 2ayy h PRO 792 N -1.06 0.00 -0.23 5.25 0.11 -1.71 -0.51 132.00 133.84 2ayy h PRO 792 Ca -0.04 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.02 2ayy h PRO 792 Cb 0.42 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2ayy h PRO 792 CO 0.07 0.24 -0.03 0.00 -0.21 0.00 0.00 178.00 178.07 2ayy h ALA 793 N 1.76 0.32 -0.41 -0.75 0.00 -1.63 0.01 119.26 118.56 2ayy h ALA 793 Ca -0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 2ayy h ALA 793 Cb 0.42 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ayy h ALA 793 CO 0.03 0.08 -0.29 1.25 0.00 0.00 0.00 179.25 180.32 2ayy h LEU 794 N 0.18 0.93 -0.63 0.00 5.85 -1.13 -2.37 115.31 118.14 2ayy h LEU 794 Ca 0.06 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2ayy h LEU 794 Cb 0.47 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 2ayy h LEU 794 CO 0.02 1.15 0.36 -0.07 -0.34 0.00 0.00 178.44 179.56 2ayy h LEU 795 N 0.76 0.78 -1.49 2.25 3.38 -1.02 -2.09 115.31 117.88 2ayy h LEU 795 Ca 0.09 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ayy h LEU 795 Cb 0.85 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2ayy h LEU 795 CO 0.08 0.63 0.01 0.00 0.09 0.00 0.00 178.44 179.25 2ayy h ALA 796 N 1.18 1.59 -0.69 1.53 0.00 -0.84 -1.80 119.26 120.24 2ayy h ALA 796 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2ayy h ALA 796 Cb 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 2ayy h ALA 796 CO -0.04 0.31 0.16 -0.09 0.00 0.00 0.00 179.25 179.59 2ayy h ARG 797 N 0.34 1.10 -0.71 0.00 2.43 -0.86 0.25 114.38 116.94 2ayy h ARG 797 Ca 0.08 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 2ayy h ARG 797 Cb 0.21 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.58 2ayy h ARG 797 CO 0.00 0.98 0.27 0.82 -1.51 0.00 0.00 179.97 180.53 2ayy h ILE 798 N 1.03 1.24 -0.40 1.20 2.04 -0.85 -1.86 117.51 119.92 2ayy h ILE 798 Ca 0.22 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.29 2ayy h ILE 798 Cb 0.37 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 2ayy h ILE 798 CO 0.00 0.32 0.00 -1.22 0.00 0.00 0.00 178.15 177.25 2ayy n TYR 799 N -4.29 0.53 -3.64 1.37 4.01 -1.00 -4.94 117.16 109.20 2ayy n TYR 799 Ca 0.06 -0.26 -0.21 0.00 -0.16 0.00 0.00 57.90 57.33 2ayy n TYR 799 Cb 0.19 0.00 0.05 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 0.83 -3.31 -0.04 7.72 4.77 -0.37 -4.95 117.00 121.67 2ayy n LEU 800 Ca 0.16 -0.76 -0.00 0.00 -0.03 0.00 0.00 56.01 55.38 2ayy n LEU 800 Cb 0.41 -2.78 -0.00 0.00 -2.33 0.00 0.00 43.42 38.72 2ayy n LEU 800 CO 0.12 0.41 0.00 0.40 -1.33 0.00 0.00 177.39 176.99 2ayy h ILE 801 N -1.91 0.00 -0.46 -0.08 2.04 -0.82 -3.48 117.51 112.81 2ayy h ILE 801 Ca -0.60 -0.71 -0.20 0.00 1.00 0.00 0.00 64.86 64.35 2ayy h ILE 801 Cb 1.36 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.36 2ayy h ILE 801 CO 0.55 0.00 -0.18 1.21 0.00 0.00 0.00 178.15 179.74 2ayy n GLU 802 N -3.96 -1.19 -0.43 2.37 2.13 -1.26 -4.81 120.64 113.49 2ayy n GLU 802 Ca -0.00 0.79 0.07 0.00 0.66 0.00 0.00 57.16 58.68 2ayy n GLU 802 Cb 0.00 -4.90 0.16 0.00 0.27 0.00 0.00 31.44 26.97 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 -1.68 1.33 -0.21 5.31 2.81 -1.26 -4.78 117.12 118.64 2ayy n MET 803 Ca -0.10 -2.87 -0.01 0.00 -1.81 0.00 0.00 57.70 52.91 2ayy n MET 803 Cb 0.44 -1.45 0.10 0.00 -0.71 0.00 0.00 33.22 31.60 2ayy n MET 803 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 2ayy h GLU 804 N 0.57 0.55 -5.83 0.03 3.07 -1.98 -3.47 114.58 107.52 2ayy h GLU 804 Ca -0.01 -0.03 -0.36 0.00 -0.50 0.00 0.00 59.36 58.45 2ayy h GLU 804 Cb 1.06 -0.12 0.12 0.00 -0.84 0.00 0.00 28.75 28.97 2ayy h GLU 804 CO 0.01 0.36 -0.80 0.43 -1.40 0.00 0.00 179.01 177.61 2ayy n SER 805 N -4.87 -1.92 -4.68 1.42 7.64 -1.26 -4.95 113.62 105.00 2ayy n SER 805 Ca 0.08 -0.71 -0.41 0.00 1.01 0.00 0.00 58.87 58.83 2ayy n SER 805 Cb 0.20 -4.67 -0.04 0.00 -1.01 0.00 0.00 64.21 58.70 2ayy n SER 805 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayy s ASP 806 N -4.31 7.01 0.10 6.43 -1.08 -1.26 -5.04 116.67 118.52 2ayy s ASP 806 Ca 0.03 1.23 -0.14 0.00 -0.52 0.00 0.00 52.55 53.15 2ayy s ASP 806 Cb -0.01 -2.46 -0.06 0.00 -1.46 0.00 0.00 42.92 38.93 2ayy s ASP 806 CO 0.77 -0.36 0.49 1.51 0.52 0.00 0.00 175.17 178.10 2ayy s ASP 807 N 1.10 6.81 0.59 -0.34 -4.77 -1.26 -5.06 116.67 113.74 2ayy s ASP 807 Ca 0.40 1.02 -0.20 0.00 -3.30 0.00 0.00 52.55 50.46 2ayy s ASP 807 Cb -0.17 -2.27 -0.03 0.00 -1.09 0.00 0.00 42.92 39.36 2ayy s ASP 807 CO 0.14 0.18 1.32 -2.65 0.70 0.00 0.00 175.17 174.87 2ayy n PRO 808 N 1.13 1.45 0.37 2.11 -0.02 -1.26 -4.96 135.00 133.81 2ayy n PRO 808 Ca -0.08 0.54 -0.17 0.00 -2.02 0.00 0.00 63.50 61.77 2ayy n PRO 808 Cb 0.52 -2.55 -0.09 0.00 -0.02 0.00 0.00 33.50 31.36 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ayy h ALA 809 N 1.05 -0.93 -1.88 3.55 0.00 -2.07 -3.48 119.26 115.50 2ayy h ALA 809 Ca -0.51 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.19 2ayy h ALA 809 Cb 1.32 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2ayy h ALA 809 CO 0.55 -0.97 0.00 -1.71 0.00 0.00 0.00 179.25 177.12 2ayy n ASN 810 N -5.46 0.00 -4.80 0.00 4.05 -1.26 -5.17 115.26 102.62 2ayy n ASN 810 Ca -0.13 -0.97 -0.30 0.00 0.45 0.00 0.00 54.58 53.63 2ayy n ASN 810 Cb 0.39 0.00 0.10 0.00 1.23 0.00 0.00 39.78 41.50 2ayy n ASN 810 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2ayy s ALA 811 N -1.00 2.15 0.50 5.20 0.00 -1.26 -5.02 121.76 122.33 2ayy s ALA 811 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.48 2ayy s ALA 811 Cb 0.00 -3.09 -0.07 0.00 0.00 0.00 0.00 23.12 19.96 2ayy s ALA 811 CO 0.00 -1.84 1.11 -0.48 0.00 0.00 0.00 175.76 174.55 2ayy s LEU 812 N -5.83 3.87 0.40 0.00 0.05 -1.26 -4.99 118.68 110.92 2ayy s LEU 812 Ca 0.61 2.15 -0.26 0.00 0.05 0.00 0.00 54.13 56.68 2ayy s LEU 812 Cb -0.14 -4.45 -0.09 0.00 -2.05 0.00 0.00 46.19 39.45 2ayy s LEU 812 CO 0.54 -0.99 1.28 -2.16 -0.55 0.00 0.00 176.35 174.48 2ayy s PRO 813 N -3.05 3.98 -0.61 1.48 0.04 -1.26 -4.97 135.00 130.61 2ayy s PRO 813 Ca 0.68 2.11 -0.24 0.00 0.04 0.00 0.00 61.00 63.60 2ayy s PRO 813 Cb -0.23 -2.75 0.05 0.00 0.04 0.00 0.00 34.50 31.61 2ayy s PRO 813 CO 0.27 -0.47 0.99 -1.12 0.04 0.00 0.00 177.00 176.71 2ayy s SER 814 N -0.79 6.26 -0.63 6.66 0.01 -1.26 -4.98 113.70 118.97 2ayy s SER 814 Ca 0.57 -0.61 -0.11 0.00 1.31 0.00 0.00 55.95 57.11 2ayy s SER 814 Cb -0.37 -2.44 0.16 0.00 0.21 0.00 0.00 66.02 63.58 2ayy s SER 814 CO 0.48 -1.38 0.53 -0.89 0.41 0.00 0.00 173.24 172.39 2ayy s THR 815 N 4.19 4.80 -0.04 1.44 2.01 -1.26 -5.35 115.64 121.43 2ayy s THR 815 Ca 0.28 -2.16 0.00 0.00 0.31 0.00 0.00 61.69 60.12 2ayy s THR 815 Cb -0.14 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.31 2ayy s THR 815 CO 0.15 -0.90 0.51 -0.67 -0.69 0.00 0.00 174.62 173.03