#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 2.31 -0.14 -5.12 0.00 -1.26 -5.08 107.32 98.04 2ayy s GLY 697 Ca 0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 44.72 44.22 2ayy s GLY 697 CO 0.00 -0.00 0.34 -0.32 0.00 0.00 0.00 173.10 173.11 2ayy s GLY 698 N -0.79 -0.25 0.00 0.20 0.00 -1.26 -5.16 107.32 100.07 2ayy s GLY 698 Ca 0.19 1.23 -0.04 0.00 0.00 0.00 0.00 44.72 46.10 2ayy s GLY 698 CO 0.08 1.37 0.08 -1.35 0.00 0.00 0.00 173.10 173.28 2ayy s SER 699 N 1.12 0.08 -0.23 1.64 1.04 -1.26 -5.14 113.70 110.94 2ayy s SER 699 Ca -0.08 -0.24 -0.03 0.00 0.48 0.00 0.00 55.95 56.08 2ayy s SER 699 Cb -0.08 0.17 0.11 0.00 0.10 0.00 0.00 66.02 66.32 2ayy s SER 699 CO -0.09 -0.30 0.27 -0.83 0.98 0.00 0.00 173.24 173.28 2ayy s GLY 700 N -1.20 -0.12 -0.14 7.32 0.00 -1.26 -5.14 107.32 106.79 2ayy s GLY 700 Ca -0.13 0.28 -0.11 0.00 0.00 0.00 0.00 44.72 44.77 2ayy s GLY 700 CO 0.01 2.37 0.21 0.14 0.00 0.00 0.00 173.10 175.83 2ayy s VAL 701 N 2.38 5.37 0.21 1.40 1.01 -1.26 -5.07 120.40 124.44 2ayy s VAL 701 Ca 0.09 0.37 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2ayy s VAL 701 Cb -0.15 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 2ayy s VAL 701 CO -0.17 0.50 1.11 -1.61 0.00 0.00 0.00 175.10 174.92 2ayy s GLU 702 N -0.22 4.60 0.06 2.72 8.01 -1.26 -5.01 118.70 127.60 2ayy s GLU 702 Ca 0.14 1.75 -0.31 0.00 0.01 0.00 0.00 54.97 56.57 2ayy s GLU 702 Cb -0.13 -3.25 -0.05 0.00 -4.31 0.00 0.00 34.13 26.39 2ayy s GLU 702 CO 0.03 0.10 1.18 0.20 0.01 0.00 0.00 175.26 176.79 2ayy s GLY 703 N -0.31 2.45 0.24 -1.39 0.00 -1.26 -5.01 107.32 102.04 2ayy s GLY 703 Ca 0.48 0.83 -0.22 0.00 0.00 0.00 0.00 44.72 45.81 2ayy s GLY 703 CO 0.37 2.01 0.80 1.08 0.00 0.00 0.00 173.10 177.35 2ayy s LEU 704 N 1.03 4.38 0.55 0.66 2.01 -1.26 -5.08 118.68 120.97 2ayy s LEU 704 Ca 0.58 1.57 0.09 0.00 0.01 0.00 0.00 54.13 56.39 2ayy s LEU 704 Cb -0.29 -3.67 0.07 0.00 0.01 0.00 0.00 46.19 42.31 2ayy s LEU 704 CO 0.29 0.03 0.73 -0.94 1.01 0.00 0.00 176.35 177.47 2ayy s SER 705 N -1.57 5.17 0.37 2.29 1.04 -1.26 -5.15 113.70 114.59 2ayy s SER 705 Ca 0.44 -0.80 0.04 0.00 0.48 0.00 0.00 55.95 56.11 2ayy s SER 705 Cb -0.18 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.04 2ayy s SER 705 CO 0.23 -1.22 0.13 -0.83 0.98 0.00 0.00 173.24 172.52 2ayy s GLY 706 N -4.59 2.41 0.18 7.32 0.00 -1.26 -5.12 107.32 106.26 2ayy s GLY 706 Ca 0.59 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 43.52 2ayy s GLY 706 CO 0.37 -1.76 1.11 -1.59 0.00 0.00 0.00 173.10 171.23 2ayy s LYS 707 N -3.74 4.58 -0.02 2.90 -2.85 -1.26 -4.87 119.74 114.48 2ayy s LYS 707 Ca 0.29 1.73 0.00 0.00 -1.00 0.00 0.00 55.97 56.99 2ayy s LYS 707 Cb 0.04 -3.27 -0.04 0.00 -2.06 0.00 0.00 37.83 32.50 2ayy s LYS 707 CO 0.16 0.06 0.02 0.50 0.10 0.00 0.00 175.35 176.19 2ayy s ARG 708 N -0.36 2.90 -0.19 1.78 3.52 -1.26 -1.62 118.95 123.72 2ayy s ARG 708 Ca 0.50 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.56 2ayy s ARG 708 Cb -0.30 -2.74 0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2ayy s ARG 708 CO 0.35 0.65 -0.08 0.00 -0.81 0.00 0.00 175.30 175.40 2ayy s TRP 710 N 1.49 3.25 -0.19 0.00 0.52 -0.45 -0.86 118.94 122.70 2ayy s TRP 710 Ca -0.00 0.59 -0.04 0.00 0.02 0.00 0.00 56.10 56.67 2ayy s TRP 710 Cb -0.16 -2.80 -0.02 0.00 -1.15 0.00 0.00 33.47 29.34 2ayy s TRP 710 CO -0.08 -0.35 -0.03 -0.48 0.02 0.00 0.00 176.95 176.03 2ayy s LEU 711 N 2.39 3.13 -0.54 2.99 2.34 -0.13 -0.61 118.68 128.25 2ayy s LEU 711 Ca 0.22 -0.23 0.04 0.00 0.06 0.00 0.00 54.13 54.22 2ayy s LEU 711 Cb -0.15 -1.78 0.38 0.00 -0.56 0.00 0.00 46.19 44.08 2ayy s LEU 711 CO 0.10 0.09 1.11 0.00 -1.06 0.00 0.00 176.35 176.58 2ayy n ALA 712 N 4.09 5.01 -2.68 1.48 0.00 0.32 -0.86 120.51 127.88 2ayy n ALA 712 Ca -0.17 -4.49 -0.39 0.00 0.00 0.00 0.00 53.44 48.38 2ayy n ALA 712 Cb 0.52 -0.74 -0.06 0.00 0.00 0.00 0.00 19.45 19.16 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 -5.04 5.09 -0.02 0.00 1.01 -1.25 -2.64 120.40 117.56 2ayy s VAL 713 Ca 0.48 1.05 0.12 0.00 0.00 0.00 0.00 61.98 63.63 2ayy s VAL 713 Cb 0.34 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.69 2ayy s VAL 713 CO -0.18 0.19 1.07 0.03 0.00 0.00 0.00 175.10 176.21 2ayy h ARG 714 N 7.29 0.00 -6.35 2.72 3.08 -1.97 -3.42 114.38 115.73 2ayy h ARG 714 Ca -0.35 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.16 2ayy h ARG 714 Cb 1.16 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.13 2ayy h ARG 714 CO 0.75 0.65 1.03 -0.80 -1.07 0.00 0.00 179.97 180.53 2ayy s ASN 715 N -6.34 6.20 0.53 7.04 0.01 -1.26 -4.87 114.94 116.25 2ayy s ASN 715 Ca -0.01 -0.40 0.21 0.00 -0.71 0.00 0.00 52.86 51.95 2ayy s ASN 715 Cb 0.09 -2.55 1.42 0.00 0.41 0.00 0.00 41.25 40.62 2ayy s ASN 715 CO 0.81 -1.78 2.16 0.00 -1.51 0.00 0.00 177.10 176.78 2ayy h ALA 716 N 9.95 1.78 0.47 0.60 0.00 -1.98 0.07 119.26 130.14 2ayy h ALA 716 Ca -0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2ayy h ALA 716 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ayy h ALA 716 CO 1.26 0.03 -0.22 0.66 0.00 0.00 0.00 179.25 180.98 2ayy h SER 717 N 0.00 -0.53 -0.41 0.00 4.64 -1.98 -1.38 113.55 113.89 2ayy h SER 717 Ca -0.00 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 2ayy h SER 717 Cb 0.05 0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 2ayy h SER 717 CO 0.00 -0.29 0.16 -0.07 -0.87 0.00 0.00 176.83 175.76 2ayy h LEU 718 N -0.75 0.56 -0.79 5.97 3.38 -1.85 -2.80 115.31 119.03 2ayy h LEU 718 Ca -0.06 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.74 2ayy h LEU 718 Cb 0.54 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2ayy h LEU 718 CO 0.11 0.59 0.52 0.00 0.09 0.00 0.00 178.44 179.75 2ayy h GLN 720 N 1.07 0.52 -0.34 0.00 5.75 -1.21 0.73 115.11 121.63 2ayy h GLN 720 Ca 0.29 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.50 2ayy h GLN 720 Cb -0.11 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.45 2ayy h GLN 720 CO -0.07 0.90 0.20 0.35 -2.65 0.00 0.00 178.83 177.56 2ayy h PHE 721 N 0.19 0.38 -0.11 3.99 3.57 -1.22 -1.53 116.94 122.21 2ayy h PHE 721 Ca 0.02 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2ayy h PHE 721 Cb 0.84 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2ayy h PHE 721 CO 0.09 0.23 -0.05 1.25 -2.23 0.00 0.00 178.31 177.59 2ayy h LEU 722 N 0.42 0.23 -1.07 0.59 7.12 -0.98 -2.33 115.31 119.29 2ayy h LEU 722 Ca 0.13 -0.42 -0.08 0.00 0.13 0.00 0.00 57.88 57.64 2ayy h LEU 722 Cb -0.01 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.04 2ayy h LEU 722 CO -0.05 0.60 -0.21 1.05 -0.13 0.00 0.00 178.44 179.69 2ayy h GLU 723 N -0.14 0.41 -0.22 1.25 4.11 -0.77 0.60 114.58 119.81 2ayy h GLU 723 Ca 0.02 -0.14 -0.14 0.00 0.07 0.00 0.00 59.36 59.18 2ayy h GLU 723 Cb 0.51 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2ayy h GLU 723 CO 0.02 0.60 -0.40 1.15 0.07 0.00 0.00 179.01 180.45 2ayy h THR 724 N 0.37 1.32 -0.68 -1.06 2.02 -1.29 -0.64 112.91 112.94 2ayy h THR 724 Ca 0.06 -1.62 -0.06 0.00 0.77 0.00 0.00 66.41 65.57 2ayy h THR 724 Cb 0.58 1.80 -0.03 0.00 -1.74 0.00 0.00 68.15 68.76 2ayy h THR 724 CO 0.04 0.51 0.20 0.28 0.37 0.00 0.00 175.52 176.91 2ayy h SER 725 N 0.36 0.99 -0.11 4.18 0.02 -1.06 -1.82 113.55 116.11 2ayy h SER 725 Ca 0.01 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 2ayy h SER 725 Cb 1.00 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 2ayy h SER 725 CO 0.09 0.93 -0.06 0.25 -1.14 0.00 0.00 176.83 176.90 2ayy h LEU 726 N 1.02 0.24 -1.71 5.07 5.85 -0.84 -3.09 115.31 121.84 2ayy h LEU 726 Ca 0.22 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 2ayy h LEU 726 Cb 0.31 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2ayy h LEU 726 CO -0.01 0.61 0.06 1.56 -0.34 0.00 0.00 178.44 180.33 2ayy h GLN 727 N -0.14 0.25 0.00 1.25 4.20 -1.00 -0.65 115.11 119.02 2ayy h GLN 727 Ca 0.02 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2ayy h GLN 727 Cb 0.53 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.25 2ayy h GLN 727 CO 0.02 0.22 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.20 2ayy h ARG 728 N 0.25 0.00 -0.00 1.46 2.43 -1.25 -1.17 114.38 116.11 2ayy h ARG 728 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2ayy h ARG 728 Cb 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 2ayy h ARG 728 CO -0.01 0.10 -0.12 0.45 -1.51 0.00 0.00 179.97 178.88 2ayy n SER 729 N -3.44 0.17 -0.19 -3.80 2.88 -0.26 -4.90 113.62 104.08 2ayy n SER 729 Ca -0.01 0.14 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2ayy n SER 729 Cb 0.26 -0.26 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.45 0.95 3.15 0.46 0.00 -0.44 -5.10 105.19 105.66 2ayy n GLY 730 Ca 0.08 -0.24 -0.30 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 -2.32 1.81 -0.58 -0.61 1.01 -1.18 -4.63 121.20 114.71 2ayy s ILE 731 Ca 0.00 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.53 2ayy s ILE 731 Cb 0.00 -1.60 0.03 0.00 0.01 0.00 0.00 42.46 40.90 2ayy s ILE 731 CO 0.00 0.50 1.11 0.54 0.00 0.00 0.00 174.94 177.09 2ayy s VAL 732 N 0.63 4.14 0.26 2.92 0.11 -0.64 -3.81 120.40 124.01 2ayy s VAL 732 Ca -0.13 0.66 -0.20 0.00 -2.93 0.00 0.00 61.98 59.38 2ayy s VAL 732 Cb -0.16 -4.67 -0.09 0.00 -1.53 0.00 0.00 36.38 29.93 2ayy s VAL 732 CO 0.03 -1.28 0.78 0.54 -3.33 0.00 0.00 175.10 171.84 2ayy s VAL 733 N 4.62 4.50 -0.12 2.04 0.11 -1.26 -1.75 120.40 128.54 2ayy s VAL 733 Ca 0.38 1.36 -0.09 0.00 -2.93 0.00 0.00 61.98 60.71 2ayy s VAL 733 Cb -0.09 -3.85 0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2ayy s VAL 733 CO 0.23 0.13 0.30 -0.89 -3.33 0.00 0.00 175.10 171.54 2ayy s THR 734 N -1.62 -0.01 0.06 5.04 2.01 -0.04 -4.91 115.64 116.18 2ayy s THR 734 Ca 0.46 0.05 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 2ayy s THR 734 Cb -0.16 -0.43 -0.08 0.00 0.01 0.00 0.00 72.50 71.83 2ayy s THR 734 CO 0.21 0.02 1.70 -0.89 -0.69 0.00 0.00 174.62 174.97 2ayy s THR 735 N 0.57 3.02 -0.93 -0.82 2.01 -1.26 -0.96 115.64 117.27 2ayy s THR 735 Ca -0.03 0.41 -0.23 0.00 0.31 0.00 0.00 61.69 62.15 2ayy s THR 735 Cb -0.05 -3.26 0.06 0.00 0.01 0.00 0.00 72.50 69.26 2ayy s THR 735 CO -0.03 -0.01 1.33 -0.47 -0.69 0.00 0.00 174.62 174.75 2ayy s TYR 736 N 2.95 2.59 -0.22 4.92 5.04 -0.04 -4.72 117.35 127.87 2ayy s TYR 736 Ca 0.76 -0.77 -0.03 0.00 -2.44 0.00 0.00 57.07 54.59 2ayy s TYR 736 Cb -0.40 -4.59 -0.19 0.00 0.35 0.00 0.00 41.96 37.12 2ayy s TYR 736 CO 0.33 -1.87 -0.05 0.39 -1.34 0.00 0.00 175.55 173.01 2ayy n GLU 737 N 8.51 0.67 0.00 4.97 1.02 -1.26 -4.67 120.64 129.88 2ayy n GLU 737 Ca 0.24 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 2ayy n GLU 737 Cb 0.50 -1.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.34 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 2.06 -1.80 0.00 0.62 0.00 -1.26 -5.18 105.19 99.63 2ayy n GLY 738 Ca -0.42 0.71 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 3.97 -3.27 1.61 3.00 -1.26 -5.13 117.38 116.29 2ayy n GLN 739 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 2ayy n GLN 739 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 2ayy n GLN 739 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 2ayy s GLU 740 N 1.57 4.14 -0.25 -1.09 1.03 -1.26 -5.07 118.70 117.78 2ayy s GLU 740 Ca 0.00 0.68 -0.15 0.00 0.03 0.00 0.00 54.97 55.54 2ayy s GLU 740 Cb 0.00 -3.09 -0.04 0.00 -0.80 0.00 0.00 34.13 30.20 2ayy s GLU 740 CO 0.00 0.56 0.36 -1.25 -1.33 0.00 0.00 175.26 173.60 2ayy s PRO 741 N -1.49 4.07 -0.12 -4.83 0.04 -1.26 -5.09 135.00 126.31 2ayy s PRO 741 Ca 0.34 0.06 -0.07 0.00 0.04 0.00 0.00 61.00 61.37 2ayy s PRO 741 Cb -0.18 -3.61 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 2ayy s PRO 741 CO 0.19 -0.18 0.13 0.99 0.04 0.00 0.00 177.00 178.17 2ayy s THR 742 N 1.76 5.39 -1.40 1.26 2.01 -1.26 -4.60 115.64 118.80 2ayy s THR 742 Ca 0.15 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.33 2ayy s THR 742 Cb -0.15 -3.35 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2ayy s THR 742 CO 0.09 0.61 0.84 -2.65 -0.69 0.00 0.00 174.62 172.82 2ayy n PRO 743 N 2.03 0.01 -0.02 4.92 -0.02 -1.26 -0.36 135.00 140.30 2ayy n PRO 743 Ca -0.20 0.29 0.03 0.00 -2.02 0.00 0.00 63.50 61.60 2ayy n PRO 743 Cb 0.55 -1.50 0.04 0.00 -0.02 0.00 0.00 33.50 32.57 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 -1.30 0.58 -4.07 -0.52 -0.58 -1.26 -2.79 120.64 110.70 2ayy n GLU 744 Ca 0.00 -1.09 -0.25 0.00 -0.42 0.00 0.00 57.16 55.40 2ayy n GLU 744 Cb 0.01 -1.12 -0.05 0.00 -0.57 0.00 0.00 31.44 29.70 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 -0.63 5.63 0.09 1.62 1.01 0.52 -4.74 116.67 120.16 2ayy s ASP 745 Ca 0.08 -0.12 0.09 0.00 0.71 0.00 0.00 52.55 53.32 2ayy s ASP 745 Cb 0.05 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.46 2ayy s ASP 745 CO 0.08 0.04 -0.24 0.68 0.21 0.00 0.00 175.17 175.94 2ayy s VAL 746 N -1.83 1.94 -0.41 -1.27 -7.23 -1.25 -0.80 120.40 109.55 2ayy s VAL 746 Ca 0.32 -1.51 -0.13 0.00 -1.81 0.00 0.00 61.98 58.85 2ayy s VAL 746 Cb -0.10 -1.71 0.04 0.00 0.56 0.00 0.00 36.38 35.18 2ayy s VAL 746 CO 0.24 0.11 0.28 -0.22 -0.31 0.00 0.00 175.10 175.20 2ayy s LEU 747 N -1.69 5.08 -0.47 1.32 0.20 -0.97 -1.35 118.68 120.80 2ayy s LEU 747 Ca 0.10 -1.13 -0.19 0.00 0.69 0.00 0.00 54.13 53.60 2ayy s LEU 747 Cb -0.10 -2.08 0.04 0.00 -0.43 0.00 0.00 46.19 43.62 2ayy s LEU 747 CO 0.04 -0.48 0.56 -0.63 -0.29 0.00 0.00 176.35 175.55 2ayy s ILE 748 N 1.58 4.95 0.16 6.68 1.01 0.22 -0.66 121.20 135.14 2ayy s ILE 748 Ca 0.03 -0.38 0.09 0.00 0.00 0.00 0.00 60.65 60.39 2ayy s ILE 748 Cb -0.21 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 2ayy s ILE 748 CO 0.07 -0.65 -0.13 -0.89 0.00 0.00 0.00 174.94 173.34 2ayy s THR 749 N 2.47 3.04 0.10 2.92 2.01 -0.10 -0.52 115.64 125.55 2ayy s THR 749 Ca 0.15 -1.64 0.03 0.00 0.31 0.00 0.00 61.69 60.55 2ayy s THR 749 Cb -0.18 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2ayy s THR 749 CO 0.13 -0.05 -0.10 -0.62 -0.69 0.00 0.00 174.62 173.30 2ayy s ASP 750 N -2.63 1.39 1.36 3.53 2.15 -1.08 -0.75 116.67 120.64 2ayy s ASP 750 Ca 0.23 -0.82 0.00 0.00 0.43 0.00 0.00 52.55 52.38 2ayy s ASP 750 Cb -0.09 0.02 0.00 0.00 -0.30 0.00 0.00 42.92 42.55 2ayy s ASP 750 CO 0.13 -0.28 0.00 1.21 -0.17 0.00 0.00 175.17 176.06 2ayy n GLU 751 N 0.53 0.00 -3.16 4.34 2.13 -0.14 -4.43 120.64 119.90 2ayy n GLU 751 Ca -0.16 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.27 2ayy n GLU 751 Cb 0.58 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.23 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 5.07 -0.05 6.31 0.11 -1.26 -3.52 120.40 127.06 2ayy s VAL 752 Ca 0.00 1.16 0.02 0.00 -2.93 0.00 0.00 61.98 60.23 2ayy s VAL 752 Cb 0.00 -3.93 0.02 0.00 -1.53 0.00 0.00 36.38 30.94 2ayy s VAL 752 CO 0.00 0.19 -0.08 -0.69 -3.33 0.00 0.00 175.10 171.20 2ayy s VAL 753 N 1.36 0.78 -0.04 2.04 1.01 -1.26 -4.99 120.40 119.31 2ayy s VAL 753 Ca 0.29 -0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.04 2ayy s VAL 753 Cb -0.16 -0.74 0.09 0.00 0.00 0.00 0.00 36.38 35.57 2ayy s VAL 753 CO 0.12 0.27 1.04 -1.20 0.00 0.00 0.00 175.10 175.33 2ayy n SER 754 N 3.81 0.64 -4.40 3.32 7.64 -1.26 -4.62 113.62 118.74 2ayy n SER 754 Ca -0.23 -2.30 -0.30 0.00 1.01 0.00 0.00 58.87 57.05 2ayy n SER 754 Cb 0.52 -0.26 -0.13 0.00 -1.01 0.00 0.00 64.21 63.32 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 -0.76 1.77 0.12 1.43 -2.85 -1.26 -5.10 119.74 113.09 2ayy s LYS 755 Ca 0.09 -1.14 0.04 0.00 -1.00 0.00 0.00 55.97 53.96 2ayy s LYS 755 Cb 0.09 -2.03 -0.04 0.00 -2.06 0.00 0.00 37.83 33.78 2ayy s LYS 755 CO 0.00 0.50 0.11 0.21 0.10 0.00 0.00 175.35 176.27 2ayy s LYS 756 N -1.61 2.89 -0.05 1.78 2.36 -1.26 -5.09 119.74 118.76 2ayy s LYS 756 Ca 0.14 -0.78 0.06 0.00 -2.55 0.00 0.00 55.97 52.84 2ayy s LYS 756 Cb -0.10 -2.69 -0.01 0.00 -1.05 0.00 0.00 37.83 33.98 2ayy s LYS 756 CO 0.05 0.52 -0.24 -0.46 1.55 0.00 0.00 175.35 176.77 2ayy s TRP 757 N -1.58 2.31 0.00 4.03 -0.11 -1.26 -5.10 118.94 117.24 2ayy s TRP 757 Ca 0.30 -0.65 0.00 0.00 1.22 0.00 0.00 56.10 56.97 2ayy s TRP 757 Cb -0.11 -1.52 0.00 0.00 -1.50 0.00 0.00 33.47 30.34 2ayy s TRP 757 CO 0.23 -0.19 0.00 1.04 -4.62 0.00 0.00 176.95 173.41 2ayy n GLN 758 N 2.91 0.00 0.00 5.86 6.02 -1.26 -4.80 117.38 126.11 2ayy n GLN 758 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 2ayy n GLN 758 Cb 0.52 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.78 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ayy n GLY 759 N 3.93 2.21 0.02 1.08 0.00 -1.26 -3.91 105.19 107.26 2ayy n GLY 759 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -3.14 1.61 9.65 -0.79 -3.41 114.38 118.31 2ayy h ARG 760 Ca 0.00 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.89 2ayy h ARG 760 Cb 0.00 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 28.49 2ayy h ARG 760 CO 0.00 0.00 0.14 0.00 2.80 0.00 0.00 179.97 182.91 2ayy s ALA 761 N -2.89 -1.17 -0.03 2.80 0.00 -1.23 -4.89 121.76 114.35 2ayy s ALA 761 Ca -0.02 -0.10 0.05 0.00 0.00 0.00 0.00 51.96 51.89 2ayy s ALA 761 Cb 0.00 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.97 2ayy s ALA 761 CO 0.04 -0.88 -0.18 0.08 0.00 0.00 0.00 175.76 174.82 2ayy s VAL 762 N -3.86 2.77 -0.37 0.00 1.01 -0.44 -2.30 120.40 117.21 2ayy s VAL 762 Ca 0.08 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.22 2ayy s VAL 762 Cb -0.03 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.39 2ayy s VAL 762 CO -0.01 0.56 0.09 -0.69 0.00 0.00 0.00 175.10 175.04 2ayy s VAL 763 N -0.73 2.42 -0.43 2.92 1.01 0.17 -0.88 120.40 124.89 2ayy s VAL 763 Ca 0.11 -2.43 -0.15 0.00 0.00 0.00 0.00 61.98 59.52 2ayy s VAL 763 Cb -0.10 -2.76 0.04 0.00 0.00 0.00 0.00 36.38 33.55 2ayy s VAL 763 CO 0.01 -0.63 0.34 0.42 0.00 0.00 0.00 175.10 175.23 2ayy s THR 764 N 0.79 5.24 -0.73 3.92 -4.23 0.17 -0.93 115.64 119.88 2ayy s THR 764 Ca 0.11 -0.76 -0.13 0.00 -1.18 0.00 0.00 61.69 59.73 2ayy s THR 764 Cb -0.20 -4.00 0.19 0.00 1.34 0.00 0.00 72.50 69.84 2ayy s THR 764 CO -0.07 -0.40 0.66 -0.36 -0.54 0.00 0.00 174.62 173.92 2ayy s PHE 765 N 1.70 3.61 0.21 3.99 0.40 0.07 -1.75 117.98 126.21 2ayy s PHE 765 Ca 0.05 -1.91 -0.01 0.00 -0.60 0.00 0.00 56.93 54.46 2ayy s PHE 765 Cb -0.20 -3.74 -0.04 0.00 0.51 0.00 0.00 43.02 39.54 2ayy s PHE 765 CO 0.09 -0.98 0.40 0.00 0.70 0.00 0.00 175.22 175.43 2ayy n ARG 767 N -0.67 2.00 -3.99 0.00 0.00 -1.23 -1.46 116.66 111.32 2ayy n ARG 767 Ca -0.04 -1.81 -0.10 0.00 -0.00 0.00 0.00 57.85 55.90 2ayy n ARG 767 Cb 0.54 -1.13 -0.06 0.00 0.00 0.00 0.00 32.46 31.81 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 -1.58 1.38 -0.49 -0.14 3.52 -1.26 -5.05 118.95 115.34 2ayy s ARG 768 Ca 0.12 -1.24 -0.17 0.00 -0.13 0.00 0.00 55.73 54.32 2ayy s ARG 768 Cb 0.10 0.43 0.07 0.00 -1.56 0.00 0.00 34.95 33.99 2ayy s ARG 768 CO 0.01 -0.55 0.48 -1.58 -0.81 0.00 0.00 175.30 172.86 2ayy s HIS 769 N -4.01 3.17 0.44 5.12 5.65 -1.26 -5.00 115.29 119.40 2ayy s HIS 769 Ca 0.22 -0.79 0.04 0.00 0.25 0.00 0.00 55.06 54.77 2ayy s HIS 769 Cb 0.01 -3.31 -0.04 0.00 -1.18 0.00 0.00 32.58 28.06 2ayy s HIS 769 CO 0.06 -0.89 0.03 0.42 -0.65 0.00 0.00 174.74 173.71 2ayy s ILE 770 N 2.01 1.34 -0.06 0.89 1.09 -1.26 -5.02 121.20 120.18 2ayy s ILE 770 Ca 0.08 -2.00 -0.05 0.00 -1.10 0.00 0.00 60.65 57.58 2ayy s ILE 770 Cb -0.22 -2.55 -0.19 0.00 -1.06 0.00 0.00 42.46 38.44 2ayy s ILE 770 CO 0.08 0.00 3.30 0.61 -0.10 0.00 0.00 174.94 178.84 2ayy n GLY 771 N -1.03 3.13 3.81 6.18 0.00 -1.26 -4.88 105.19 111.13 2ayy n GLY 771 Ca -0.10 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 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 0.42 5.07 -0.01 -0.61 -1.09 -1.26 -4.96 121.20 118.76 2ayy s ILE 772 Ca 0.57 0.84 0.29 0.00 -2.23 0.00 0.00 60.65 60.13 2ayy s ILE 772 Cb 0.29 -3.73 0.30 0.00 -1.58 0.00 0.00 42.46 37.74 2ayy s ILE 772 CO -0.03 0.52 1.89 1.55 -1.23 0.00 0.00 174.94 177.64 2ayy h PRO 773 N 5.20 0.00 0.00 2.79 0.13 -1.98 -3.45 132.00 134.69 2ayy h PRO 773 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2ayy h PRO 773 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2ayy h PRO 773 CO 0.65 0.00 0.00 1.47 -0.23 0.00 0.00 178.00 179.89 2ayy n LEU 774 N -2.56 0.00 0.00 1.56 -0.00 -1.26 -4.57 117.00 110.18 2ayy n LEU 774 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.00 2ayy n LEU 774 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 2ayy n LEU 774 CO 0.16 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.76 2ayy n GLU 775 N 0.00 0.00 -2.18 1.47 2.13 -1.25 -1.56 120.64 119.25 2ayy n GLU 775 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 2ayy n GLU 775 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 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 -1.87 -3.64 5.31 4.76 -1.26 -4.75 118.16 116.70 2ayy n LYS 776 Ca 0.00 0.77 -0.05 0.00 -2.87 0.00 0.00 58.31 56.16 2ayy n LYS 776 Cb 0.00 -5.30 -0.07 0.00 -1.84 0.00 0.00 35.03 27.82 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 -2.63 -2.14 0.00 7.82 0.00 -1.26 -5.03 121.76 118.52 2ayy s ALA 777 Ca 0.00 1.77 0.00 0.00 0.00 0.00 0.00 51.96 53.73 2ayy s ALA 777 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2ayy s ALA 777 CO 0.00 -0.16 0.82 -2.30 0.00 0.00 0.00 175.76 174.12 2ayy n PRO 778 N 1.88 0.57 0.00 0.00 -0.02 -1.26 -2.18 135.00 133.99 2ayy n PRO 778 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2ayy n PRO 778 Cb 0.56 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 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 1.16 0.14 3.08 -1.23 0.00 -1.26 -4.96 105.19 102.12 2ayy n GLY 779 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.97 1.68 -0.00 1.61 0.41 -0.93 -1.33 118.70 119.18 2ayy s GLU 780 Ca 0.00 -0.51 0.07 0.00 -0.41 0.00 0.00 54.97 54.12 2ayy s GLU 780 Cb 0.00 -1.43 -0.02 0.00 -1.78 0.00 0.00 34.13 30.90 2ayy s GLU 780 CO 0.00 0.15 -0.23 -1.58 -0.49 0.00 0.00 175.26 173.11 2ayy s TRP 781 N 0.27 2.07 0.02 1.61 0.52 -0.06 -3.93 118.94 119.46 2ayy s TRP 781 Ca -0.08 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.71 2ayy s TRP 781 Cb -0.13 -1.31 -0.02 0.00 -1.15 0.00 0.00 33.47 30.86 2ayy s TRP 781 CO 0.03 -0.00 -0.18 0.54 0.02 0.00 0.00 176.95 177.36 2ayy s VAL 782 N -0.60 1.42 -0.22 4.03 0.11 -0.60 -0.65 120.40 123.88 2ayy s VAL 782 Ca 0.09 -0.99 -0.27 0.00 -2.93 0.00 0.00 61.98 57.88 2ayy s VAL 782 Cb -0.09 -1.23 0.11 0.00 -1.53 0.00 0.00 36.38 33.64 2ayy s VAL 782 CO -0.00 0.22 0.96 -2.28 -3.33 0.00 0.00 175.10 170.67 2ayy s HIS 783 N -0.68 -0.49 0.03 1.54 2.46 -0.71 -4.97 115.29 112.47 2ayy s HIS 783 Ca 0.06 1.07 -0.30 0.00 0.47 0.00 0.00 55.06 56.36 2ayy s HIS 783 Cb -0.08 0.38 -0.07 0.00 -0.13 0.00 0.00 32.58 32.69 2ayy s HIS 783 CO 0.01 -0.31 1.48 0.45 -2.47 0.00 0.00 174.74 173.90 2ayy s SER 784 N -0.28 6.77 0.00 9.88 0.15 -1.26 -1.50 113.70 127.46 2ayy s SER 784 Ca 0.00 2.25 -0.04 0.00 0.70 0.00 0.00 55.95 58.87 2ayy s SER 784 Cb -0.03 -2.56 -0.17 0.00 -1.71 0.00 0.00 66.02 61.54 2ayy s SER 784 CO -0.02 -0.77 3.02 0.55 1.20 0.00 0.00 173.24 177.23 2ayy n VAL 785 N 4.61 2.62 0.54 4.45 3.14 -0.54 -3.65 118.33 129.50 2ayy n VAL 785 Ca 0.14 -1.13 0.06 0.00 -2.96 0.00 0.00 64.34 60.45 2ayy n VAL 785 Cb 0.42 -1.82 0.02 0.00 -1.06 0.00 0.00 33.84 31.41 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 2.14 2.76 -3.50 1.55 0.00 -1.26 -4.84 120.51 117.35 2ayy n ALA 786 Ca 0.27 -0.53 -0.27 0.00 0.00 0.00 0.00 53.44 52.92 2ayy n ALA 786 Cb 0.76 -0.43 -0.13 0.00 0.00 0.00 0.00 19.45 19.65 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 -1.35 0.50 -1.11 0.00 0.00 -1.24 -4.98 121.76 113.58 2ayy s ALA 787 Ca 0.12 -1.15 0.21 0.00 0.00 0.00 0.00 51.96 51.14 2ayy s ALA 787 Cb 0.10 -1.51 0.94 0.00 0.00 0.00 0.00 23.12 22.65 2ayy s ALA 787 CO 0.25 -1.77 1.67 -2.30 0.00 0.00 0.00 175.76 173.60 2ayy n PRO 788 N 4.97 0.08 0.13 0.00 -0.02 -1.26 -3.30 135.00 135.59 2ayy n PRO 788 Ca -0.01 0.13 0.02 0.00 -2.02 0.00 0.00 63.50 61.61 2ayy n PRO 788 Cb 0.42 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.75 2ayy n PRO 788 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ayy h HIS 789 N 0.00 0.21 -0.40 6.00 2.76 -2.00 -2.79 115.15 118.94 2ayy h HIS 789 Ca 0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 2ayy h HIS 789 Cb 0.32 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2ayy h HIS 789 CO 0.00 0.41 0.00 -0.85 -1.30 0.00 0.00 177.93 176.19 2ayy n GLU 790 N -4.20 2.39 0.05 5.26 0.28 -1.21 -4.51 120.64 118.71 2ayy n GLU 790 Ca -0.01 -2.15 -0.09 0.00 -0.16 0.00 0.00 57.16 54.75 2ayy n GLU 790 Cb 0.33 -1.41 -0.07 0.00 1.43 0.00 0.00 31.44 31.72 2ayy n GLU 790 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2ayy h LEU 791 N 3.43 -0.18 -1.36 -1.84 5.85 -1.62 -2.34 115.31 117.25 2ayy h LEU 791 Ca 0.00 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 2ayy h LEU 791 Cb 0.85 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 2ayy h LEU 791 CO 0.00 0.39 -0.30 -0.65 -0.34 0.00 0.00 178.44 177.54 2ayy h PRO 792 N -0.93 0.00 -0.35 5.25 0.11 -1.81 -1.82 132.00 132.46 2ayy h PRO 792 Ca -0.02 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.98 2ayy h PRO 792 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 2ayy h PRO 792 CO 0.04 0.30 -0.23 0.00 -0.21 0.00 0.00 178.00 177.89 2ayy h ALA 793 N 1.70 0.94 -0.14 -0.75 0.00 -1.79 0.28 119.26 119.50 2ayy h ALA 793 Ca -0.00 -0.36 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2ayy h ALA 793 Cb 0.62 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2ayy h ALA 793 CO 0.04 0.61 -0.13 1.25 0.00 0.00 0.00 179.25 181.02 2ayy h LEU 794 N 0.60 0.36 -0.64 0.00 5.85 -0.96 -2.62 115.31 117.90 2ayy h LEU 794 Ca 0.08 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2ayy h LEU 794 Cb 0.72 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2ayy h LEU 794 CO 0.06 0.76 0.41 -0.07 -0.34 0.00 0.00 178.44 179.26 2ayy h LEU 795 N -0.04 0.70 -0.46 2.25 -0.00 -1.20 -2.39 115.31 114.16 2ayy h LEU 795 Ca 0.02 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 57.91 2ayy h LEU 795 Cb 0.66 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.12 2ayy h LEU 795 CO 0.03 0.50 0.28 0.00 -0.00 0.00 0.00 178.44 179.25 2ayy h ALA 796 N 1.25 0.59 -0.74 1.53 0.00 -0.96 -1.72 119.26 119.21 2ayy h ALA 796 Ca 0.24 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.19 2ayy h ALA 796 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2ayy h ALA 796 CO -0.07 -0.03 0.48 -0.09 0.00 0.00 0.00 179.25 179.55 2ayy h ARG 797 N 0.56 0.82 -0.37 0.00 2.43 -1.04 0.56 114.38 117.33 2ayy h ARG 797 Ca 0.18 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.15 2ayy h ARG 797 Cb 0.01 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2ayy h ARG 797 CO -0.08 0.54 -0.37 0.82 -1.51 0.00 0.00 179.97 179.37 2ayy h ILE 798 N 0.84 1.27 -0.35 1.20 2.04 -0.99 -3.17 117.51 118.36 2ayy h ILE 798 Ca 0.30 -1.54 -0.01 0.00 1.00 0.00 0.00 64.86 64.61 2ayy h ILE 798 Cb 0.14 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2ayy h ILE 798 CO -0.09 0.51 0.01 -1.22 0.00 0.00 0.00 178.15 177.36 2ayy n TYR 799 N -4.09 1.26 -3.13 1.37 4.02 -0.57 -4.87 117.16 111.15 2ayy n TYR 799 Ca -0.02 -0.46 -0.20 0.00 -0.01 0.00 0.00 57.90 57.20 2ayy n TYR 799 Cb 0.54 -0.36 0.05 0.00 -0.02 0.00 0.00 39.34 39.54 2ayy n TYR 799 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2ayy n LEU 800 N 0.34 -2.82 -4.49 7.72 4.77 -0.72 -5.01 117.00 116.79 2ayy n LEU 800 Ca 0.17 -0.34 -0.25 0.00 -0.03 0.00 0.00 56.01 55.56 2ayy n LEU 800 Cb 0.83 -2.69 -0.10 0.00 -2.33 0.00 0.00 43.42 39.13 2ayy n LEU 800 CO 0.20 0.35 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.51 2ayy s ILE 801 N -3.17 2.63 -0.13 -0.08 -1.09 0.18 -5.01 121.20 114.54 2ayy s ILE 801 Ca 0.36 -2.13 -0.01 0.00 -2.23 0.00 0.00 60.65 56.65 2ayy s ILE 801 Cb -0.16 -2.34 -0.02 0.00 -1.58 0.00 0.00 42.46 38.36 2ayy s ILE 801 CO 0.45 -0.26 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.10 2ayy s GLU 802 N -3.15 3.36 0.11 2.79 2.56 -1.26 -3.14 118.70 119.98 2ayy s GLU 802 Ca 0.26 -0.63 0.07 0.00 0.00 0.00 0.00 54.97 54.67 2ayy s GLU 802 Cb -0.07 -2.69 -0.04 0.00 2.00 0.00 0.00 34.13 33.33 2ayy s GLU 802 CO 0.14 0.29 -0.16 -1.64 -0.56 0.00 0.00 175.26 173.33 2ayy s MET 803 N 0.18 1.04 -0.33 4.30 -1.94 -1.26 -5.05 119.30 116.24 2ayy s MET 803 Ca -0.06 -1.19 -0.29 0.00 -1.71 0.00 0.00 55.69 52.44 2ayy s MET 803 Cb -0.15 -1.04 0.01 0.00 2.01 0.00 0.00 34.83 35.66 2ayy s MET 803 CO 0.04 0.22 1.22 -2.00 -0.01 0.00 0.00 175.02 174.49 2ayy s GLU 804 N -2.36 3.92 -1.13 2.03 2.56 -1.26 -4.95 118.70 117.52 2ayy s GLU 804 Ca 0.07 1.10 -0.12 0.00 0.00 0.00 0.00 54.97 56.01 2ayy s GLU 804 Cb -0.07 -3.85 0.21 0.00 2.00 0.00 0.00 34.13 32.42 2ayy s GLU 804 CO 0.04 -1.11 1.26 -1.12 -0.56 0.00 0.00 175.26 173.77 2ayy s SER 805 N 2.45 7.11 0.04 -1.70 0.01 -1.26 -4.95 113.70 115.40 2ayy s SER 805 Ca 0.52 -3.12 -0.26 0.00 1.31 0.00 0.00 55.95 54.40 2ayy s SER 805 Cb -0.14 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.72 2ayy s SER 805 CO 0.22 -0.59 0.80 -0.62 0.41 0.00 0.00 173.24 173.45 2ayy s ASP 806 N 2.31 7.24 -0.11 2.44 -1.08 -1.26 -5.05 116.67 121.16 2ayy s ASP 806 Ca 0.36 1.49 -0.03 0.00 -0.52 0.00 0.00 52.55 53.85 2ayy s ASP 806 Cb -0.06 -2.48 0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2ayy s ASP 806 CO -0.04 -0.02 0.06 1.51 0.52 0.00 0.00 175.17 177.20 2ayy s ASP 807 N 0.05 1.88 -0.12 -0.34 -4.77 -1.26 -5.09 116.67 107.03 2ayy s ASP 807 Ca 0.40 -0.32 -0.25 0.00 -3.30 0.00 0.00 52.55 49.08 2ayy s ASP 807 Cb -0.21 -0.28 -0.02 0.00 -1.09 0.00 0.00 42.92 41.32 2ayy s ASP 807 CO 0.24 -0.29 0.81 -2.16 0.70 0.00 0.00 175.17 174.48 2ayy s PRO 808 N 2.09 4.37 -0.29 2.11 0.05 -1.26 -5.04 135.00 137.03 2ayy s PRO 808 Ca 0.03 1.03 -0.15 0.00 0.05 0.00 0.00 61.00 61.96 2ayy s PRO 808 Cb -0.14 -3.52 -0.03 0.00 0.05 0.00 0.00 34.50 30.86 2ayy s PRO 808 CO -0.06 -0.18 0.39 0.00 0.05 0.00 0.00 177.00 177.20 2ayy s ALA 809 N 1.61 3.54 -0.08 8.56 0.00 -1.26 -5.05 121.76 129.08 2ayy s ALA 809 Ca 0.40 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2ayy s ALA 809 Cb -0.17 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.21 2ayy s ALA 809 CO 0.16 -0.79 -0.06 1.21 0.00 0.00 0.00 175.76 176.29 2ayy s ASN 810 N 1.67 1.65 0.80 0.00 2.47 -1.26 -5.15 114.94 115.12 2ayy s ASN 810 Ca 0.15 -0.20 -0.10 0.00 0.42 0.00 0.00 52.86 53.12 2ayy s ASN 810 Cb -0.16 -0.64 0.10 0.00 -1.45 0.00 0.00 41.25 39.10 2ayy s ASN 810 CO 0.11 -0.10 1.14 0.00 -3.72 0.00 0.00 177.10 174.53 2ayy s ALA 811 N 1.40 2.82 -0.15 1.71 0.00 -1.26 -5.08 121.76 121.20 2ayy s ALA 811 Ca -0.02 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 2ayy s ALA 811 Cb -0.13 -2.73 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2ayy s ALA 811 CO -0.03 -1.68 -0.11 -1.17 0.00 0.00 0.00 175.76 172.76 2ayy s LEU 812 N -5.49 2.74 0.73 0.00 2.96 -1.26 -5.11 118.68 113.25 2ayy s LEU 812 Ca 0.64 -0.35 -0.14 0.00 -0.22 0.00 0.00 54.13 54.06 2ayy s LEU 812 Cb -0.09 -1.64 0.04 0.00 0.50 0.00 0.00 46.19 45.00 2ayy s LEU 812 CO 0.48 0.12 1.14 -2.16 -1.32 0.00 0.00 176.35 174.60 2ayy s PRO 813 N 0.65 2.29 -0.02 0.98 0.04 -1.26 -5.07 135.00 132.62 2ayy s PRO 813 Ca -0.06 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.41 2ayy s PRO 813 Cb -0.15 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.51 2ayy s PRO 813 CO 0.03 -1.66 0.10 -1.12 0.04 0.00 0.00 177.00 174.38 2ayy s SER 814 N -2.58 -0.00 0.83 6.66 0.01 -1.26 -5.11 113.70 112.25 2ayy s SER 814 Ca 0.68 -0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2ayy s SER 814 Cb -0.23 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.20 2ayy s SER 814 CO 0.47 -0.20 0.00 0.41 0.41 0.00 0.00 173.24 174.33 2ayy n THR 815 N 2.23 0.00 -1.83 1.44 -1.04 -1.26 -5.37 114.28 108.45 2ayy n THR 815 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 2ayy n THR 815 Cb 0.57 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.08 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76