#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 -0.66 2.99 -5.12 0.00 -1.26 -5.12 105.19 96.02 2ayy n GLY 697 Ca 0.00 -1.30 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 0.94 -0.11 -0.02 0.00 -1.26 -5.12 107.32 101.76 2ayy s GLY 698 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 44.72 44.11 2ayy s GLY 698 CO 0.00 0.47 -0.22 -0.56 0.00 0.00 0.00 173.10 172.79 2ayy s SER 699 N 1.28 2.94 -0.07 1.64 0.01 -1.26 -5.12 113.70 113.12 2ayy s SER 699 Ca -0.02 -0.54 -0.27 0.00 1.31 0.00 0.00 55.95 56.44 2ayy s SER 699 Cb -0.14 -1.35 0.06 0.00 0.21 0.00 0.00 66.02 64.81 2ayy s SER 699 CO -0.05 0.12 0.60 -0.83 0.41 0.00 0.00 173.24 173.50 2ayy s GLY 700 N 0.51 -0.48 -0.23 3.44 0.00 -1.26 -5.13 107.32 104.16 2ayy s GLY 700 Ca -0.15 1.20 -0.26 0.00 0.00 0.00 0.00 44.72 45.51 2ayy s GLY 700 CO 0.06 0.89 0.88 0.54 0.00 0.00 0.00 173.10 175.47 2ayy s VAL 701 N -0.99 4.80 -0.09 1.40 0.11 -1.26 -5.03 120.40 119.34 2ayy s VAL 701 Ca -0.10 1.69 -0.15 0.00 -2.93 0.00 0.00 61.98 60.49 2ayy s VAL 701 Cb -0.02 -4.17 -0.05 0.00 -1.53 0.00 0.00 36.38 30.62 2ayy s VAL 701 CO 0.08 -0.09 0.37 -1.83 -3.33 0.00 0.00 175.10 170.30 2ayy s GLU 702 N 2.88 4.12 -0.27 1.54 -1.05 -1.26 -5.06 118.70 119.59 2ayy s GLU 702 Ca 0.37 0.29 -0.06 0.00 -0.15 0.00 0.00 54.97 55.42 2ayy s GLU 702 Cb -0.15 -3.35 0.14 0.00 -0.44 0.00 0.00 34.13 30.33 2ayy s GLU 702 CO 0.07 0.40 0.56 0.20 0.95 0.00 0.00 175.26 177.45 2ayy s GLY 703 N -0.10 -0.69 -0.11 -3.83 0.00 -1.26 -5.15 107.32 96.18 2ayy s GLY 703 Ca 0.21 1.90 -0.12 0.00 0.00 0.00 0.00 44.72 46.72 2ayy s GLY 703 CO 0.09 2.97 0.26 1.08 0.00 0.00 0.00 173.10 177.49 2ayy s LEU 704 N 2.79 4.34 0.45 0.66 1.02 -1.26 -5.09 118.68 121.60 2ayy s LEU 704 Ca 0.03 0.58 0.02 0.00 0.02 0.00 0.00 54.13 54.79 2ayy s LEU 704 Cb -0.13 -2.30 0.01 0.00 0.02 0.00 0.00 46.19 43.78 2ayy s LEU 704 CO -0.18 0.26 0.65 -0.94 0.02 0.00 0.00 176.35 176.16 2ayy s SER 705 N -0.38 5.71 -0.22 2.29 1.04 -1.26 -5.12 113.70 115.76 2ayy s SER 705 Ca 0.17 0.08 -0.29 0.00 0.48 0.00 0.00 55.95 56.39 2ayy s SER 705 Cb -0.13 -1.26 0.15 0.00 0.10 0.00 0.00 66.02 64.88 2ayy s SER 705 CO 0.06 -0.76 1.16 -0.83 0.98 0.00 0.00 173.24 173.84 2ayy s GLY 706 N -4.27 -0.09 0.31 7.32 0.00 -1.26 -5.11 107.32 104.22 2ayy s GLY 706 Ca 0.50 2.47 -0.29 0.00 0.00 0.00 0.00 44.72 47.40 2ayy s GLY 706 CO 0.36 1.19 1.33 0.54 0.00 0.00 0.00 173.10 176.53 2ayy s LYS 707 N -0.88 4.34 0.02 2.90 1.02 -1.26 -4.85 119.74 121.03 2ayy s LYS 707 Ca 0.03 2.22 0.03 0.00 0.02 0.00 0.00 55.97 58.27 2ayy s LYS 707 Cb -0.01 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 2ayy s LYS 707 CO -0.04 -0.23 -0.02 0.50 -0.92 0.00 0.00 175.35 174.64 2ayy s ARG 708 N -1.44 2.67 -0.04 1.68 3.00 -1.26 -0.84 118.95 122.71 2ayy s ARG 708 Ca 0.51 -0.69 -0.03 0.00 -1.00 0.00 0.00 55.73 54.52 2ayy s ARG 708 Cb -0.40 -2.60 0.01 0.00 0.00 0.00 0.00 34.95 31.97 2ayy s ARG 708 CO 0.50 0.60 0.10 0.00 0.00 0.00 0.00 175.30 176.50 2ayy s TRP 710 N 0.27 2.99 -0.04 0.00 0.52 -0.77 -0.93 118.94 120.97 2ayy s TRP 710 Ca -0.02 0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.17 2ayy s TRP 710 Cb -0.03 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.60 2ayy s TRP 710 CO -0.01 0.38 -0.09 -0.48 0.02 0.00 0.00 176.95 176.77 2ayy s LEU 711 N -1.00 1.60 -0.58 2.99 2.34 -0.35 -0.77 118.68 122.91 2ayy s LEU 711 Ca 0.14 -0.20 0.04 0.00 0.06 0.00 0.00 54.13 54.17 2ayy s LEU 711 Cb -0.11 -0.60 0.36 0.00 -0.56 0.00 0.00 46.19 45.28 2ayy s LEU 711 CO 0.03 0.02 1.08 0.00 -1.06 0.00 0.00 176.35 176.42 2ayy n ALA 712 N 3.69 4.93 -2.63 1.48 0.00 0.50 -1.28 120.51 127.20 2ayy n ALA 712 Ca -0.22 -4.59 -0.38 0.00 0.00 0.00 0.00 53.44 48.25 2ayy n ALA 712 Cb 0.52 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 19.07 2ayy n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayy s VAL 713 N -4.76 5.26 -0.77 0.00 1.01 -1.25 -2.64 120.40 117.25 2ayy s VAL 713 Ca 0.48 0.39 0.25 0.00 0.00 0.00 0.00 61.98 63.10 2ayy s VAL 713 Cb 0.31 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 33.16 2ayy s VAL 713 CO -0.16 0.25 1.44 0.54 0.00 0.00 0.00 175.10 177.17 2ayy n ARG 714 N 4.81 0.19 -2.51 2.72 5.12 -1.26 -4.63 116.66 121.10 2ayy n ARG 714 Ca -0.12 0.07 -0.41 0.00 -1.93 0.00 0.00 57.85 55.47 2ayy n ARG 714 Cb 0.51 -1.64 -0.03 0.00 -1.16 0.00 0.00 32.46 30.15 2ayy n ARG 714 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2ayy s ASN 715 N -3.86 6.16 0.10 0.55 0.01 -1.26 -4.89 114.94 111.76 2ayy s ASN 715 Ca 0.08 -0.63 -0.18 0.00 -0.71 0.00 0.00 52.86 51.42 2ayy s ASN 715 Cb 0.15 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 39.18 2ayy s ASN 715 CO 0.69 -1.82 1.60 0.00 -1.51 0.00 0.00 177.10 176.06 2ayy h ALA 716 N 10.29 0.35 -0.47 0.60 0.00 -1.99 0.36 119.26 128.41 2ayy h ALA 716 Ca -0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 2ayy h ALA 716 Cb 1.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2ayy h ALA 716 CO 1.31 0.00 0.02 0.77 0.00 0.00 0.00 179.25 181.35 2ayy h SER 717 N 0.26 0.79 -0.05 0.00 0.02 -1.98 -1.58 113.55 111.02 2ayy h SER 717 Ca 0.08 -0.29 -0.00 0.00 -0.84 0.00 0.00 61.79 60.74 2ayy h SER 717 Cb 0.27 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 2ayy h SER 717 CO -0.00 0.89 0.01 0.25 -1.14 0.00 0.00 176.83 176.84 2ayy h LEU 718 N 0.67 0.07 -1.12 5.07 6.46 -1.92 -2.45 115.31 122.07 2ayy h LEU 718 Ca 0.14 -0.20 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 2ayy h LEU 718 Cb 0.47 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 2ayy h LEU 718 CO 0.02 0.25 0.17 0.00 -0.62 0.00 0.00 178.44 178.27 2ayy h GLN 720 N 0.78 0.68 0.22 0.00 7.50 -1.23 -0.56 115.11 122.49 2ayy h GLN 720 Ca 0.18 -0.21 -0.01 0.00 0.50 0.00 0.00 58.65 59.11 2ayy h GLN 720 Cb 0.22 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.68 2ayy h GLN 720 CO -0.01 0.76 -0.11 0.35 -1.50 0.00 0.00 178.83 178.33 2ayy h PHE 721 N 0.63 -0.27 -0.49 2.96 3.57 -0.77 -2.59 116.94 119.97 2ayy h PHE 721 Ca 0.11 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 2ayy h PHE 721 Cb 0.53 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 2ayy h PHE 721 CO 0.02 0.05 -0.17 1.37 -2.23 0.00 0.00 178.31 177.35 2ayy h LEU 722 N -0.61 1.00 -0.81 0.59 8.10 -1.26 -2.20 115.31 120.12 2ayy h LEU 722 Ca -0.03 -0.38 -0.09 0.00 0.11 0.00 0.00 57.88 57.49 2ayy h LEU 722 Cb 0.44 -0.27 -0.02 0.00 -0.44 0.00 0.00 40.66 40.37 2ayy h LEU 722 CO 0.05 1.15 -0.05 1.05 -4.11 0.00 0.00 178.44 176.54 2ayy h GLU 723 N 0.84 0.84 -0.25 0.17 4.11 -1.16 -1.52 114.58 117.61 2ayy h GLU 723 Ca 0.12 -0.26 -0.19 0.00 0.07 0.00 0.00 59.36 59.10 2ayy h GLU 723 Cb 0.74 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2ayy h GLU 723 CO 0.06 0.87 -0.59 1.15 0.07 0.00 0.00 179.01 180.57 2ayy h THR 724 N 0.77 1.28 -0.37 -1.06 2.02 -1.39 0.64 112.91 114.81 2ayy h THR 724 Ca 0.14 -1.79 -0.03 0.00 0.77 0.00 0.00 66.41 65.50 2ayy h THR 724 Cb 0.53 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.63 2ayy h THR 724 CO 0.03 0.58 0.09 0.28 0.37 0.00 0.00 175.52 176.87 2ayy h SER 725 N 0.61 0.49 0.51 4.18 0.02 -1.14 -2.38 113.55 115.85 2ayy h SER 725 Ca 0.00 -0.07 -0.30 0.00 -0.84 0.00 0.00 61.79 60.59 2ayy h SER 725 Cb 1.19 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.61 2ayy h SER 725 CO 0.13 0.50 -1.39 0.25 -1.14 0.00 0.00 176.83 175.18 2ayy h LEU 726 N 0.53 0.48 -1.92 5.07 6.46 -1.14 -3.27 115.31 121.51 2ayy h LEU 726 Ca 0.13 -0.56 0.00 0.00 -0.12 0.00 0.00 57.88 57.33 2ayy h LEU 726 Cb 0.20 -0.15 0.00 0.00 -0.73 0.00 0.00 40.66 39.98 2ayy h LEU 726 CO -0.00 1.45 0.00 1.56 -0.62 0.00 0.00 178.44 180.82 2ayy h GLN 727 N 0.08 0.00 0.00 1.25 4.20 -0.52 -1.27 115.11 118.85 2ayy h GLN 727 Ca -0.19 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2ayy h GLN 727 Cb 2.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.80 2ayy h GLN 727 CO 0.20 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.90 2ayy n ARG 728 N -2.99 0.15 0.00 1.46 5.12 -0.93 -0.70 116.66 118.77 2ayy n ARG 728 Ca -0.01 0.54 0.12 0.00 -1.93 0.00 0.00 57.85 56.57 2ayy n ARG 728 Cb 0.21 -1.88 0.15 0.00 -1.16 0.00 0.00 32.46 29.77 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 -2.18 0.62 0.00 0.55 2.88 -0.48 -4.93 113.62 110.08 2ayy n SER 729 Ca 0.00 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.15 2ayy n SER 729 Cb 0.11 0.46 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 1.48 0.72 3.75 0.46 0.00 0.12 -5.04 105.19 106.69 2ayy n GLY 730 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.09 3.90 -0.24 -0.61 1.01 -1.25 -4.50 121.20 117.41 2ayy s ILE 731 Ca 0.00 1.87 -0.08 0.00 0.00 0.00 0.00 60.65 62.44 2ayy s ILE 731 Cb 0.00 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2ayy s ILE 731 CO 0.00 0.43 0.08 0.54 0.00 0.00 0.00 174.94 175.99 2ayy s VAL 732 N -1.03 4.49 0.09 2.92 0.11 -0.02 -4.24 120.40 122.73 2ayy s VAL 732 Ca 0.43 -0.11 0.01 0.00 -2.93 0.00 0.00 61.98 59.38 2ayy s VAL 732 Cb -0.28 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.44 2ayy s VAL 732 CO 0.35 0.35 0.23 0.68 -3.33 0.00 0.00 175.10 173.38 2ayy s VAL 733 N 1.43 5.34 -0.12 2.04 -7.23 -1.26 -1.11 120.40 119.49 2ayy s VAL 733 Ca 0.06 -0.51 -0.11 0.00 -1.81 0.00 0.00 61.98 59.61 2ayy s VAL 733 Cb -0.15 -3.66 0.03 0.00 0.56 0.00 0.00 36.38 33.17 2ayy s VAL 733 CO 0.04 0.05 0.33 -0.89 -0.31 0.00 0.00 175.10 174.32 2ayy s THR 734 N -1.59 -0.00 0.14 5.32 2.01 -0.11 -4.94 115.64 116.46 2ayy s THR 734 Ca 0.35 0.01 -0.31 0.00 0.31 0.00 0.00 61.69 62.05 2ayy s THR 734 Cb -0.12 -0.46 -0.10 0.00 0.01 0.00 0.00 72.50 71.83 2ayy s THR 734 CO 0.28 0.01 1.67 -0.89 -0.69 0.00 0.00 174.62 175.00 2ayy s THR 735 N 0.30 2.58 -0.50 -0.82 2.01 -1.26 -1.21 115.64 116.73 2ayy s THR 735 Ca -0.01 0.29 -0.19 0.00 0.31 0.00 0.00 61.69 62.09 2ayy s THR 735 Cb -0.03 -3.19 0.06 0.00 0.01 0.00 0.00 72.50 69.35 2ayy s THR 735 CO -0.01 0.01 0.60 -0.47 -0.69 0.00 0.00 174.62 174.07 2ayy s TYR 736 N 1.82 3.07 0.00 4.92 5.04 -0.41 -4.82 117.35 126.97 2ayy s TYR 736 Ca 0.74 -0.58 0.00 0.00 -2.44 0.00 0.00 57.07 54.79 2ayy s TYR 736 Cb -0.44 -3.51 0.00 0.00 0.35 0.00 0.00 41.96 38.36 2ayy s TYR 736 CO 0.33 -1.01 0.00 0.39 -1.34 0.00 0.00 175.55 173.91 2ayy n GLU 737 N 6.08 0.00 -1.71 4.97 -0.58 -1.26 -4.64 120.64 123.50 2ayy n GLU 737 Ca -0.07 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.27 2ayy n GLU 737 Cb 0.45 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.31 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ayy n GLY 738 N 5.00 4.81 3.58 0.62 0.00 -1.26 -4.91 105.19 113.04 2ayy n GLY 738 Ca 0.00 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 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 0.27 1.89 -0.18 1.61 -0.21 -1.26 -5.12 119.66 116.67 2ayy s GLN 739 Ca 0.60 -2.04 -0.20 0.00 0.02 0.00 0.00 55.36 53.75 2ayy s GLN 739 Cb 0.18 -1.64 -0.03 0.00 1.00 0.00 0.00 33.01 32.52 2ayy s GLN 739 CO -0.08 0.02 0.56 -2.00 -2.12 0.00 0.00 175.29 171.68 2ayy s GLU 740 N -3.67 4.23 0.21 2.91 2.56 -1.26 -5.04 118.70 118.63 2ayy s GLU 740 Ca 0.34 0.52 -0.30 0.00 0.00 0.00 0.00 54.97 55.53 2ayy s GLU 740 Cb 0.07 -3.54 -0.09 0.00 2.00 0.00 0.00 34.13 32.56 2ayy s GLU 740 CO 0.17 -0.13 1.41 -1.25 -0.56 0.00 0.00 175.26 174.91 2ayy s PRO 741 N 1.54 4.30 -0.15 4.30 0.04 -1.26 -5.02 135.00 138.75 2ayy s PRO 741 Ca 0.27 2.21 -0.07 0.00 0.04 0.00 0.00 61.00 63.44 2ayy s PRO 741 Cb -0.16 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2ayy s PRO 741 CO 0.10 -0.40 0.10 0.95 0.04 0.00 0.00 177.00 177.80 2ayy s THR 742 N 0.32 5.17 0.61 1.26 -4.23 -1.26 -4.81 115.64 112.70 2ayy s THR 742 Ca 0.61 0.09 0.33 0.00 -1.18 0.00 0.00 61.69 61.54 2ayy s THR 742 Cb -0.40 -3.30 0.38 0.00 1.34 0.00 0.00 72.50 70.52 2ayy s THR 742 CO 0.39 0.53 2.28 -0.65 -0.54 0.00 0.00 174.62 176.62 2ayy h PRO 743 N 5.91 0.00 -0.56 3.99 0.11 -1.86 -1.20 132.00 138.39 2ayy h PRO 743 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2ayy h PRO 743 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ayy h PRO 743 CO 0.66 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.84 2ayy n GLU 744 N -3.66 2.98 -4.43 1.05 -0.58 -1.26 -1.13 120.64 113.62 2ayy n GLU 744 Ca -0.03 -2.51 -0.24 0.00 -0.42 0.00 0.00 57.16 53.97 2ayy n GLU 744 Cb 0.09 -1.54 -0.09 0.00 -0.57 0.00 0.00 31.44 29.33 2ayy n GLU 744 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2ayy s ASP 745 N -1.04 3.85 0.08 1.62 1.01 -0.45 -4.81 116.67 116.93 2ayy s ASP 745 Ca 0.40 -0.95 0.08 0.00 0.71 0.00 0.00 52.55 52.79 2ayy s ASP 745 Cb 0.23 -0.44 -0.04 0.00 1.01 0.00 0.00 42.92 43.68 2ayy s ASP 745 CO 0.24 0.00 -0.18 0.68 0.21 0.00 0.00 175.17 176.12 2ayy s VAL 746 N -2.47 2.80 -0.35 -1.27 -7.23 -1.26 -1.00 120.40 109.62 2ayy s VAL 746 Ca 0.31 -1.34 -0.06 0.00 -1.81 0.00 0.00 61.98 59.08 2ayy s VAL 746 Cb -0.05 -2.23 0.05 0.00 0.56 0.00 0.00 36.38 34.72 2ayy s VAL 746 CO 0.16 0.22 0.12 -0.22 -0.31 0.00 0.00 175.10 175.08 2ayy s LEU 747 N -1.77 4.46 -0.47 1.32 0.20 -0.54 -1.85 118.68 120.04 2ayy s LEU 747 Ca 0.16 -1.31 -0.22 0.00 0.69 0.00 0.00 54.13 53.45 2ayy s LEU 747 Cb -0.11 -1.85 0.03 0.00 -0.43 0.00 0.00 46.19 43.83 2ayy s LEU 747 CO 0.07 -0.37 0.75 -0.63 -0.29 0.00 0.00 176.35 175.88 2ayy s ILE 748 N 1.35 4.69 0.11 6.68 -1.09 0.05 -0.76 121.20 132.24 2ayy s ILE 748 Ca -0.01 0.20 0.08 0.00 -2.23 0.00 0.00 60.65 58.69 2ayy s ILE 748 Cb -0.20 -4.32 -0.04 0.00 -1.58 0.00 0.00 42.46 36.32 2ayy s ILE 748 CO 0.01 -0.76 -0.13 0.42 -1.23 0.00 0.00 174.94 173.26 2ayy s THR 749 N 3.17 3.18 -0.02 2.92 -4.23 0.20 -0.37 115.64 120.50 2ayy s THR 749 Ca 0.26 -1.38 0.07 0.00 -1.18 0.00 0.00 61.69 59.47 2ayy s THR 749 Cb -0.14 -2.49 -0.02 0.00 1.34 0.00 0.00 72.50 71.20 2ayy s THR 749 CO 0.20 0.09 -0.25 -0.62 -0.54 0.00 0.00 174.62 173.50 2ayy s ASP 750 N -2.24 2.92 1.67 3.99 2.15 -1.08 -0.94 116.67 123.14 2ayy s ASP 750 Ca 0.21 -0.45 0.00 0.00 0.43 0.00 0.00 52.55 52.73 2ayy s ASP 750 Cb -0.11 -0.37 0.00 0.00 -0.30 0.00 0.00 42.92 42.14 2ayy s ASP 750 CO 0.13 0.30 0.00 1.21 -0.17 0.00 0.00 175.17 176.64 2ayy n GLU 751 N 2.52 0.00 -4.01 4.34 4.07 0.05 -4.42 120.64 123.19 2ayy n GLU 751 Ca -0.16 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.61 2ayy n GLU 751 Cb 0.51 0.00 -0.15 0.00 -0.06 0.00 0.00 31.44 31.75 2ayy n GLU 751 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 2ayy s VAL 752 N 0.00 2.48 -0.09 6.31 1.01 -1.26 -4.48 120.40 124.36 2ayy s VAL 752 Ca 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.52 2ayy s VAL 752 Cb 0.00 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.95 2ayy s VAL 752 CO 0.00 -0.01 -0.17 -0.69 0.00 0.00 0.00 175.10 174.23 2ayy s VAL 753 N 1.17 2.77 0.29 2.92 1.01 -1.26 -5.02 120.40 122.29 2ayy s VAL 753 Ca -0.07 -0.79 0.10 0.00 0.00 0.00 0.00 61.98 61.23 2ayy s VAL 753 Cb -0.19 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.07 2ayy s VAL 753 CO -0.04 0.55 1.66 0.28 0.00 0.00 0.00 175.10 177.55 2ayy h SER 754 N 6.27 0.02 -3.73 3.32 0.02 -1.98 -3.44 113.55 114.03 2ayy h SER 754 Ca -0.31 -0.01 -0.49 0.00 -0.84 0.00 0.00 61.79 60.14 2ayy h SER 754 Cb 1.20 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2ayy h SER 754 CO 0.52 0.58 0.23 -1.59 -1.14 0.00 0.00 176.83 175.43 2ayy s LYS 755 N -3.76 4.44 0.00 3.45 0.00 -1.26 -5.07 119.74 117.54 2ayy s LYS 755 Ca -0.02 1.12 0.00 0.00 0.00 0.00 0.00 55.97 57.07 2ayy s LYS 755 Cb 0.13 -2.85 0.00 0.00 0.00 0.00 0.00 37.83 35.11 2ayy s LYS 755 CO 0.76 0.34 0.00 1.17 0.00 0.00 0.00 175.35 177.62 2ayy n LYS 756 N 0.66 1.99 -3.80 1.78 0.00 -1.26 -5.16 118.16 112.38 2ayy n LYS 756 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 2ayy n LYS 756 Cb 0.50 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.41 2ayy n LYS 756 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.40 176.94 2ayy s TRP 757 N 0.05 -0.19 -0.37 5.64 -0.11 -1.26 -4.98 118.94 117.71 2ayy s TRP 757 Ca 0.00 0.48 0.03 0.00 1.22 0.00 0.00 56.10 57.84 2ayy s TRP 757 Cb 0.00 0.04 0.11 0.00 -1.50 0.00 0.00 33.47 32.12 2ayy s TRP 757 CO 0.00 -0.11 0.10 -1.14 -4.62 0.00 0.00 176.95 171.18 2ayy s GLN 758 N 0.33 1.46 0.00 5.86 2.00 -1.26 -4.99 119.66 123.07 2ayy s GLN 758 Ca -0.02 -1.91 0.00 0.00 -2.00 0.00 0.00 55.36 51.43 2ayy s GLN 758 Cb -0.03 -3.04 0.00 0.00 0.80 0.00 0.00 33.01 30.74 2ayy s GLN 758 CO -0.01 -0.98 0.00 0.41 -0.50 0.00 0.00 175.29 174.20 2ayy n GLY 759 N 4.10 2.66 0.31 2.59 0.00 -1.26 -4.06 105.19 109.53 2ayy n GLY 759 Ca 0.04 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.70 -2.57 1.61 9.65 0.52 -3.45 114.38 119.44 2ayy h ARG 760 Ca 0.00 0.05 0.08 0.00 -1.10 0.00 0.00 59.98 59.00 2ayy h ARG 760 Cb 0.00 0.16 -0.12 0.00 -1.39 0.00 0.00 29.97 28.62 2ayy h ARG 760 CO 0.00 -0.47 0.38 0.00 2.80 0.00 0.00 179.97 182.68 2ayy s ALA 761 N -4.38 -1.68 -0.05 2.80 0.00 -1.24 -4.89 121.76 112.33 2ayy s ALA 761 Ca -0.11 0.61 0.06 0.00 0.00 0.00 0.00 51.96 52.52 2ayy s ALA 761 Cb 0.01 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 2ayy s ALA 761 CO 0.32 -0.80 -0.23 0.14 0.00 0.00 0.00 175.76 175.19 2ayy s VAL 762 N -3.41 1.88 -0.39 0.00 -7.23 -0.69 -1.46 120.40 109.09 2ayy s VAL 762 Ca 0.05 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 59.28 2ayy s VAL 762 Cb -0.01 -1.58 0.11 0.00 0.56 0.00 0.00 36.38 35.45 2ayy s VAL 762 CO -0.07 0.53 0.13 -0.69 -0.31 0.00 0.00 175.10 174.68 2ayy s VAL 763 N -0.21 2.06 -0.22 1.32 1.01 0.06 -0.73 120.40 123.70 2ayy s VAL 763 Ca -0.01 -2.47 -0.06 0.00 0.00 0.00 0.00 61.98 59.44 2ayy s VAL 763 Cb -0.12 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.74 2ayy s VAL 763 CO 0.02 -0.69 0.03 -0.89 0.00 0.00 0.00 175.10 173.57 2ayy s THR 764 N 0.65 4.09 -0.48 3.92 2.01 -0.15 -0.63 115.64 125.05 2ayy s THR 764 Ca 0.13 -0.26 -0.09 0.00 0.31 0.00 0.00 61.69 61.78 2ayy s THR 764 Cb -0.21 -2.88 0.12 0.00 0.01 0.00 0.00 72.50 69.55 2ayy s THR 764 CO -0.08 0.39 0.36 -0.36 -0.69 0.00 0.00 174.62 174.24 2ayy s PHE 765 N 1.26 3.43 0.33 4.92 0.40 -0.12 -1.77 117.98 126.44 2ayy s PHE 765 Ca 0.04 -1.90 0.08 0.00 -0.60 0.00 0.00 56.93 54.55 2ayy s PHE 765 Cb -0.15 -3.50 -0.04 0.00 0.51 0.00 0.00 43.02 39.84 2ayy s PHE 765 CO 0.02 -0.99 0.14 0.00 0.70 0.00 0.00 175.22 175.08 2ayy h ARG 767 N 1.56 0.84 0.00 0.00 2.43 -1.91 -3.12 114.38 114.19 2ayy h ARG 767 Ca -0.44 -0.52 0.00 0.00 -0.81 0.00 0.00 59.98 58.21 2ayy h ARG 767 Cb 1.25 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2ayy h ARG 767 CO 0.63 1.15 0.00 -2.13 -1.51 0.00 0.00 179.97 178.11 2ayy n ARG 768 N -4.01 3.47 -0.46 0.20 3.00 -1.26 -4.83 116.66 112.77 2ayy n ARG 768 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.81 2ayy n ARG 768 Cb 0.61 -0.36 0.00 0.00 0.00 0.00 0.00 32.46 32.71 2ayy n ARG 768 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 2ayy n HIS 769 N -0.10 -1.23 0.00 -0.14 1.44 -1.26 -5.10 115.22 108.82 2ayy n HIS 769 Ca 0.00 0.65 0.00 0.00 -2.01 0.00 0.00 57.72 56.36 2ayy n HIS 769 Cb 0.00 -1.89 0.00 0.00 0.12 0.00 0.00 29.99 28.22 2ayy n HIS 769 CO 0.00 0.00 0.00 -0.89 -2.81 0.00 0.00 176.34 172.64 2ayy n ILE 770 N -0.58 0.00 0.10 0.61 5.41 -1.26 -4.89 119.36 118.75 2ayy n ILE 770 Ca 0.00 0.00 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 2ayy n ILE 770 Cb 0.00 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.05 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 3.93 2.65 3.67 7.39 0.00 -1.26 -4.85 105.19 116.71 2ayy n GLY 771 Ca 0.00 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.58 4.70 -0.41 -0.61 -1.09 -1.26 -5.03 121.20 115.92 2ayy s ILE 772 Ca 0.24 -0.08 -0.39 0.00 -2.23 0.00 0.00 60.65 58.19 2ayy s ILE 772 Cb 0.19 -3.07 -0.15 0.00 -1.58 0.00 0.00 42.46 37.86 2ayy s ILE 772 CO 0.06 0.52 2.14 -2.65 -1.23 0.00 0.00 174.94 173.78 2ayy n PRO 773 N 2.97 0.63 -1.48 2.79 -0.02 -1.26 -4.82 135.00 133.81 2ayy n PRO 773 Ca -0.18 0.18 -0.30 0.00 -2.02 0.00 0.00 63.50 61.18 2ayy n PRO 773 Cb 0.53 -2.04 -0.06 0.00 -0.02 0.00 0.00 33.50 31.91 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 8.60 7.21 0.00 2.45 -0.00 -1.26 -4.60 117.00 129.40 2ayy n LEU 774 Ca 0.46 -4.18 0.00 0.00 -0.00 0.00 0.00 56.01 52.29 2ayy n LEU 774 Cb 0.11 -1.39 0.00 0.00 -0.00 0.00 0.00 43.42 42.14 2ayy n LEU 774 CO 0.81 1.91 0.00 1.21 -0.00 0.00 0.00 177.39 181.32 2ayy n GLU 775 N 2.15 0.00 -4.31 1.47 2.13 -1.26 -4.78 120.64 116.04 2ayy n GLU 775 Ca 0.59 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 58.06 2ayy n GLU 775 Cb 0.47 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.11 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 14.00 -1.66 -3.64 5.31 4.76 -1.26 -4.78 118.16 130.88 2ayy n LYS 776 Ca 0.00 0.21 -0.04 0.00 -2.87 0.00 0.00 58.31 55.61 2ayy n LYS 776 Cb 0.00 -4.34 -0.07 0.00 -1.84 0.00 0.00 35.03 28.79 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 -3.79 -2.23 -0.76 7.82 0.00 -1.26 -5.05 121.76 116.49 2ayy s ALA 777 Ca 0.37 1.88 -0.17 0.00 0.00 0.00 0.00 51.96 54.04 2ayy s ALA 777 Cb -0.21 -1.70 -0.13 0.00 0.00 0.00 0.00 23.12 21.08 2ayy s ALA 777 CO 0.98 -0.22 1.94 -2.30 0.00 0.00 0.00 175.76 176.16 2ayy n PRO 778 N 2.39 1.57 0.00 0.00 -0.02 -1.26 -2.47 135.00 135.21 2ayy n PRO 778 Ca -0.13 -1.67 0.00 0.00 -2.02 0.00 0.00 63.50 59.68 2ayy n PRO 778 Cb 0.57 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 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 4.32 0.11 3.68 -1.23 0.00 -1.26 -5.09 105.19 105.72 2ayy n GLY 779 Ca 0.47 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 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 3.77 -0.27 1.61 0.41 -1.03 -1.71 118.70 121.49 2ayy s GLU 780 Ca 0.00 -0.32 0.02 0.00 -0.41 0.00 0.00 54.97 54.26 2ayy s GLU 780 Cb 0.00 -3.16 0.07 0.00 -1.78 0.00 0.00 34.13 29.26 2ayy s GLU 780 CO 0.00 0.41 -0.05 -1.58 -0.49 0.00 0.00 175.26 173.54 2ayy s TRP 781 N -0.00 2.96 -0.07 1.61 0.52 0.10 -4.33 118.94 119.72 2ayy s TRP 781 Ca 0.06 -2.20 -0.08 0.00 0.02 0.00 0.00 56.10 53.89 2ayy s TRP 781 Cb -0.12 -1.96 -0.04 0.00 -1.15 0.00 0.00 33.47 30.20 2ayy s TRP 781 CO 0.01 -0.85 0.22 0.54 0.02 0.00 0.00 176.95 176.88 2ayy s VAL 782 N 1.20 5.37 -0.03 4.03 0.11 -1.26 -0.98 120.40 128.84 2ayy s VAL 782 Ca -0.04 0.33 -0.26 0.00 -2.93 0.00 0.00 61.98 59.08 2ayy s VAL 782 Cb -0.19 -3.50 0.06 0.00 -1.53 0.00 0.00 36.38 31.22 2ayy s VAL 782 CO -0.07 0.57 0.58 -2.28 -3.33 0.00 0.00 175.10 170.56 2ayy s HIS 783 N -1.09 -0.52 0.17 1.54 2.46 -0.73 -4.89 115.29 112.22 2ayy s HIS 783 Ca 0.19 0.86 -0.19 0.00 0.47 0.00 0.00 55.06 56.39 2ayy s HIS 783 Cb -0.13 0.33 -0.08 0.00 -0.13 0.00 0.00 32.58 32.57 2ayy s HIS 783 CO 0.08 -0.56 0.65 -1.12 -2.47 0.00 0.00 174.74 171.33 2ayy s SER 784 N -1.29 7.04 -1.23 9.88 0.01 -1.25 -1.45 113.70 125.41 2ayy s SER 784 Ca -0.11 1.33 -0.10 0.00 1.31 0.00 0.00 55.95 58.38 2ayy s SER 784 Cb -0.01 -2.38 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 2ayy s SER 784 CO 0.08 0.12 2.43 1.33 0.41 0.00 0.00 173.24 177.60 2ayy n VAL 785 N 1.05 3.20 -0.09 3.43 0.24 -1.18 -4.57 118.33 120.42 2ayy n VAL 785 Ca -0.05 -2.06 -0.14 0.00 -2.04 0.00 0.00 64.34 60.05 2ayy n VAL 785 Cb 0.51 -2.39 -0.05 0.00 -1.47 0.00 0.00 33.84 30.45 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ayy h ALA 786 N 5.95 0.41 -2.55 2.33 0.00 -1.93 -3.46 119.26 120.02 2ayy h ALA 786 Ca 0.64 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 2ayy h ALA 786 Cb 0.31 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 17.79 2ayy h ALA 786 CO 1.68 0.48 -0.15 0.00 0.00 0.00 0.00 179.25 181.26 2ayy s ALA 787 N -4.25 -1.21 0.43 0.00 0.00 -1.26 -5.05 121.76 110.42 2ayy s ALA 787 Ca -0.12 1.41 0.23 0.00 0.00 0.00 0.00 51.96 53.48 2ayy s ALA 787 Cb 0.09 -0.82 1.22 0.00 0.00 0.00 0.00 23.12 23.61 2ayy s ALA 787 CO 0.84 -0.24 1.78 -1.00 0.00 0.00 0.00 175.76 177.14 2ayy h PRO 788 N 5.49 0.28 0.00 0.00 0.13 -1.97 -0.23 132.00 135.69 2ayy h PRO 788 Ca -0.28 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2ayy h PRO 788 Cb 1.18 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2ayy h PRO 788 CO 0.20 0.18 0.00 -2.39 -0.23 0.00 0.00 178.00 175.77 2ayy n HIS 789 N -4.53 0.11 0.07 1.56 1.44 -1.26 -2.59 115.22 110.02 2ayy n HIS 789 Ca 0.25 0.04 -0.05 0.00 -2.01 0.00 0.00 57.72 55.96 2ayy n HIS 789 Cb 0.97 -0.57 0.14 0.00 0.12 0.00 0.00 29.99 30.66 2ayy n HIS 789 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2ayy h GLU 790 N 0.00 0.29 0.26 -1.40 4.39 -1.43 -3.19 114.58 113.50 2ayy h GLU 790 Ca 0.00 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 2ayy h GLU 790 Cb 0.24 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2ayy h GLU 790 CO 0.00 0.75 -0.12 1.25 -1.16 0.00 0.00 179.01 179.73 2ayy h LEU 791 N 0.23 -0.29 -1.88 1.33 6.46 -1.68 -2.54 115.31 116.94 2ayy h LEU 791 Ca 0.01 -0.23 -0.01 0.00 -0.12 0.00 0.00 57.88 57.53 2ayy h LEU 791 Cb 1.01 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 41.01 2ayy h LEU 791 CO 0.09 0.19 -0.05 -0.65 -0.62 0.00 0.00 178.44 177.40 2ayy h PRO 792 N -0.91 0.01 -0.26 5.25 0.11 -1.73 -0.30 132.00 134.17 2ayy h PRO 792 Ca -0.04 -0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 2ayy h PRO 792 Cb 0.50 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 2ayy h PRO 792 CO 0.06 0.06 -0.23 0.00 -0.21 0.00 0.00 178.00 177.69 2ayy h ALA 793 N 1.94 0.37 -0.61 -0.75 0.00 -1.61 -1.82 119.26 116.78 2ayy h ALA 793 Ca 0.00 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 2ayy h ALA 793 Cb 0.10 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2ayy h ALA 793 CO 0.01 0.33 0.13 1.25 0.00 0.00 0.00 179.25 180.97 2ayy h LEU 794 N 0.33 0.95 -0.40 0.00 5.85 -0.90 -2.06 115.31 119.08 2ayy h LEU 794 Ca 0.04 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.54 2ayy h LEU 794 Cb 0.78 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2ayy h LEU 794 CO 0.06 0.95 0.22 0.25 -0.34 0.00 0.00 178.44 179.57 2ayy h LEU 795 N 0.90 0.34 -0.93 2.25 6.46 -1.03 -0.72 115.31 122.58 2ayy h LEU 795 Ca 0.19 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 2ayy h LEU 795 Cb 0.39 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 2ayy h LEU 795 CO 0.01 0.24 0.35 0.00 -0.62 0.00 0.00 178.44 178.42 2ayy h ALA 796 N 1.19 1.16 -0.49 1.25 0.00 -1.13 -0.47 119.26 120.79 2ayy h ALA 796 Ca 0.16 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2ayy h ALA 796 Cb 0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2ayy h ALA 796 CO -0.09 0.62 -0.01 -0.09 0.00 0.00 0.00 179.25 179.68 2ayy h ARG 797 N 1.11 0.87 -0.27 0.00 9.65 -0.90 0.25 114.38 125.08 2ayy h ARG 797 Ca 0.26 -0.28 -0.14 0.00 -1.10 0.00 0.00 59.98 58.72 2ayy h ARG 797 Cb 0.14 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 28.64 2ayy h ARG 797 CO -0.03 0.91 -0.38 0.82 2.80 0.00 0.00 179.97 184.09 2ayy h ILE 798 N 0.73 1.30 -0.16 1.20 2.04 -0.79 -3.03 117.51 118.80 2ayy h ILE 798 Ca 0.14 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.43 2ayy h ILE 798 Cb 0.52 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 38.26 2ayy h ILE 798 CO 0.03 0.50 0.00 -1.22 0.00 0.00 0.00 178.15 177.46 2ayy n TYR 799 N -4.19 0.21 -3.53 1.37 4.02 -0.21 -4.91 117.16 109.92 2ayy n TYR 799 Ca -0.04 -0.10 -0.20 0.00 -0.01 0.00 0.00 57.90 57.54 2ayy n TYR 799 Cb 0.53 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.91 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 0.02 -3.89 -4.92 7.72 4.77 -0.82 -5.00 117.00 114.88 2ayy n LEU 800 Ca 0.12 -0.77 -0.26 0.00 -0.03 0.00 0.00 56.01 55.06 2ayy n LEU 800 Cb 0.21 -2.87 -0.01 0.00 -2.33 0.00 0.00 43.42 38.42 2ayy n LEU 800 CO 0.09 0.34 0.30 -0.63 -1.33 0.00 0.00 177.39 176.16 2ayy s ILE 801 N -3.50 5.00 0.30 -0.08 -1.09 0.83 -5.00 121.20 117.66 2ayy s ILE 801 Ca 0.17 -0.07 -0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2ayy s ILE 801 Cb -0.04 -3.84 0.28 0.00 -1.58 0.00 0.00 42.46 37.28 2ayy s ILE 801 CO 0.78 -0.65 1.92 -0.08 -1.23 0.00 0.00 174.94 175.69 2ayy h GLU 802 N 0.68 1.03 -1.80 2.79 4.81 -1.95 -2.79 114.58 117.35 2ayy h GLU 802 Ca -0.48 -0.06 -0.49 0.00 -0.13 0.00 0.00 59.36 58.20 2ayy h GLU 802 Cb 1.21 -0.23 -0.18 0.00 0.63 0.00 0.00 28.75 30.17 2ayy h GLU 802 CO 0.62 0.68 0.49 -1.33 -0.73 0.00 0.00 179.01 178.74 2ayy n MET 803 N -4.47 2.30 -0.06 1.92 2.81 -1.26 -4.55 117.12 113.80 2ayy n MET 803 Ca 0.13 -2.31 -0.14 0.00 -1.81 0.00 0.00 57.70 53.57 2ayy n MET 803 Cb 0.16 -2.03 -0.06 0.00 -0.71 0.00 0.00 33.22 30.58 2ayy n MET 803 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 2ayy h GLU 804 N 2.53 0.57 0.00 0.03 4.11 -1.73 -3.44 114.58 116.65 2ayy h GLU 804 Ca 0.40 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 59.48 2ayy h GLU 804 Cb 0.72 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2ayy h GLU 804 CO 0.95 0.96 0.00 0.43 0.07 0.00 0.00 179.01 181.41 2ayy n SER 805 N -4.32 -4.18 -3.79 3.06 7.64 -1.26 -4.32 113.62 106.45 2ayy n SER 805 Ca -0.06 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.72 2ayy n SER 805 Cb 0.49 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.62 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 -4.00 -0.01 -0.05 6.43 2.15 -1.26 -4.99 116.67 114.94 2ayy s ASP 806 Ca 0.00 -0.45 -0.24 0.00 0.43 0.00 0.00 52.55 52.29 2ayy s ASP 806 Cb 0.00 0.36 -0.04 0.00 -0.30 0.00 0.00 42.92 42.95 2ayy s ASP 806 CO 0.00 -0.71 0.74 -0.62 -0.17 0.00 0.00 175.17 174.41 2ayy s ASP 807 N -2.58 7.05 0.40 -0.34 2.15 -1.26 -4.96 116.67 117.13 2ayy s ASP 807 Ca 0.01 1.27 0.28 0.00 0.43 0.00 0.00 52.55 54.54 2ayy s ASP 807 Cb 0.02 -2.43 1.02 0.00 -0.30 0.00 0.00 42.92 41.23 2ayy s ASP 807 CO -0.09 -0.11 1.82 1.55 -0.17 0.00 0.00 175.17 178.17 2ayy h PRO 808 N 6.64 0.00 -5.85 4.34 0.13 -2.05 -3.47 132.00 131.73 2ayy h PRO 808 Ca -0.41 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.44 2ayy h PRO 808 Cb 1.20 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.41 2ayy h PRO 808 CO 0.75 0.00 -0.69 0.00 -0.23 0.00 0.00 178.00 177.83 2ayy n ALA 809 N -1.95 -2.55 -2.58 -0.56 0.00 -1.26 -4.87 120.51 106.73 2ayy n ALA 809 Ca 0.02 -0.08 -0.42 0.00 0.00 0.00 0.00 53.44 52.96 2ayy n ALA 809 Cb 0.33 -3.49 -0.03 0.00 0.00 0.00 0.00 19.45 16.27 2ayy n ALA 809 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ayy s ASN 810 N -3.27 6.39 0.04 0.00 2.47 -1.26 -4.97 114.94 114.35 2ayy s ASN 810 Ca 0.29 0.00 -0.02 0.00 0.42 0.00 0.00 52.86 53.55 2ayy s ASN 810 Cb -0.08 -2.55 -0.03 0.00 -1.45 0.00 0.00 41.25 37.14 2ayy s ASN 810 CO 0.80 -1.55 0.02 0.00 -3.72 0.00 0.00 177.10 172.65 2ayy s ALA 811 N 5.09 0.24 -0.13 1.71 0.00 -1.26 -5.15 121.76 122.26 2ayy s ALA 811 Ca 0.41 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.49 2ayy s ALA 811 Cb -0.08 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.33 2ayy s ALA 811 CO 0.23 -0.33 -0.08 -1.17 0.00 0.00 0.00 175.76 174.42 2ayy s LEU 812 N -2.43 1.38 -0.55 0.00 2.96 -1.26 -5.09 118.68 113.69 2ayy s LEU 812 Ca -0.01 -0.42 -0.27 0.00 -0.22 0.00 0.00 54.13 53.21 2ayy s LEU 812 Cb 0.02 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.76 2ayy s LEU 812 CO -0.07 -0.12 1.92 -2.16 -1.32 0.00 0.00 176.35 174.60 2ayy s PRO 813 N 1.65 2.66 -1.11 0.98 0.04 -1.26 -4.90 135.00 133.05 2ayy s PRO 813 Ca 0.04 0.84 -0.05 0.00 0.04 0.00 0.00 61.00 61.87 2ayy s PRO 813 Cb -0.13 -4.39 0.28 0.00 0.04 0.00 0.00 34.50 30.31 2ayy s PRO 813 CO -0.09 -2.68 1.57 0.43 0.04 0.00 0.00 177.00 176.28 2ayy n SER 814 N 12.81 6.25 0.00 6.66 7.64 -1.26 -4.73 113.62 140.98 2ayy n SER 814 Ca 0.23 -3.37 0.15 0.00 1.01 0.00 0.00 58.87 56.89 2ayy n SER 814 Cb 0.52 -1.30 0.85 0.00 -1.01 0.00 0.00 64.21 63.27 2ayy n SER 814 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2ayy n THR 815 N 1.62 0.01 -1.41 0.44 -1.04 -1.26 -5.37 114.28 107.27 2ayy n THR 815 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 2ayy n THR 815 Cb 0.33 -0.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.33 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76