#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 3.02 -0.30 -5.12 0.00 -1.26 -5.03 107.32 98.63 2ayy s GLY 697 Ca 0.00 0.75 -0.06 0.00 0.00 0.00 0.00 44.72 45.42 2ayy s GLY 697 CO 0.00 1.31 0.75 -0.32 0.00 0.00 0.00 173.10 174.84 2ayy s GLY 698 N -1.12 -0.75 -0.44 0.20 0.00 -1.26 -5.12 107.32 98.83 2ayy s GLY 698 Ca 0.45 2.21 -0.22 0.00 0.00 0.00 0.00 44.72 47.17 2ayy s GLY 698 CO 0.35 3.47 0.74 -0.56 0.00 0.00 0.00 173.10 177.09 2ayy s SER 699 N 2.86 6.39 0.84 1.64 0.01 -1.26 -5.05 113.70 119.14 2ayy s SER 699 Ca 0.11 -0.14 -0.12 0.00 1.31 0.00 0.00 55.95 57.11 2ayy s SER 699 Cb -0.13 -2.36 0.10 0.00 0.21 0.00 0.00 66.02 63.84 2ayy s SER 699 CO -0.18 -0.85 1.18 -0.83 0.41 0.00 0.00 173.24 172.96 2ayy s GLY 700 N 2.07 1.60 0.02 3.44 0.00 -1.26 -5.08 107.32 108.10 2ayy s GLY 700 Ca 0.28 -0.65 0.04 0.00 0.00 0.00 0.00 44.72 44.39 2ayy s GLY 700 CO 0.21 -0.13 -0.09 0.54 0.00 0.00 0.00 173.10 173.63 2ayy s VAL 701 N -3.52 3.46 0.48 1.40 0.11 -1.26 -5.13 120.40 115.94 2ayy s VAL 701 Ca 0.63 -0.88 0.05 0.00 -2.93 0.00 0.00 61.98 58.85 2ayy s VAL 701 Cb -0.12 -2.50 0.02 0.00 -1.53 0.00 0.00 36.38 32.25 2ayy s VAL 701 CO 0.50 0.37 0.66 -1.61 -3.33 0.00 0.00 175.10 171.70 2ayy s GLU 702 N -1.46 2.71 0.12 1.54 8.01 -1.26 -5.08 118.70 123.28 2ayy s GLU 702 Ca 0.17 -1.01 -0.25 0.00 0.01 0.00 0.00 54.97 53.89 2ayy s GLU 702 Cb -0.11 -2.63 -0.07 0.00 -4.31 0.00 0.00 34.13 27.01 2ayy s GLU 702 CO 0.07 -0.47 0.77 0.20 0.01 0.00 0.00 175.26 175.84 2ayy s GLY 703 N -4.38 2.87 0.12 -1.39 0.00 -1.26 -5.07 107.32 98.21 2ayy s GLY 703 Ca 0.56 0.32 0.06 0.00 0.00 0.00 0.00 44.72 45.66 2ayy s GLY 703 CO 0.36 0.93 -0.15 1.08 0.00 0.00 0.00 173.10 175.32 2ayy s LEU 704 N -0.78 2.38 0.48 0.66 1.02 -1.26 -5.16 118.68 116.02 2ayy s LEU 704 Ca 0.36 -0.77 0.07 0.00 0.02 0.00 0.00 54.13 53.81 2ayy s LEU 704 Cb -0.22 -0.60 0.01 0.00 0.02 0.00 0.00 46.19 45.40 2ayy s LEU 704 CO 0.25 -0.11 0.40 -0.44 0.02 0.00 0.00 176.35 176.48 2ayy s SER 705 N -2.31 4.82 0.00 2.29 0.01 -1.26 -5.15 113.70 112.10 2ayy s SER 705 Ca 0.08 -1.00 0.00 0.00 1.31 0.00 0.00 55.95 56.34 2ayy s SER 705 Cb -0.06 -0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2ayy s SER 705 CO 0.03 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.41 2ayy n GLY 706 N -1.66 1.38 3.82 3.44 0.00 -1.26 -5.09 105.19 105.82 2ayy n GLY 706 Ca 0.02 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 2ayy n GLY 706 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ayy s LYS 707 N 2.37 1.56 -0.04 1.61 -2.85 -0.88 -4.78 119.74 116.73 2ayy s LYS 707 Ca 0.00 0.29 0.05 0.00 -1.00 0.00 0.00 55.97 55.32 2ayy s LYS 707 Cb 0.00 -1.89 -0.01 0.00 -2.06 0.00 0.00 37.83 33.87 2ayy s LYS 707 CO 0.00 -1.91 -0.20 1.03 0.10 0.00 0.00 175.35 174.37 2ayy s ARG 708 N -5.35 1.93 -0.05 1.78 1.81 -1.26 -0.80 118.95 117.02 2ayy s ARG 708 Ca 0.63 -0.72 -0.04 0.00 -1.72 0.00 0.00 55.73 53.88 2ayy s ARG 708 Cb -0.14 -1.72 0.02 0.00 -0.45 0.00 0.00 34.95 32.67 2ayy s ARG 708 CO 0.52 0.34 0.13 0.00 -0.68 0.00 0.00 175.30 175.61 2ayy s TRP 710 N 0.41 3.62 -0.12 0.00 0.52 -0.33 -1.07 118.94 121.97 2ayy s TRP 710 Ca -0.03 0.64 0.02 0.00 0.02 0.00 0.00 56.10 56.75 2ayy s TRP 710 Cb -0.04 -2.05 0.01 0.00 -1.15 0.00 0.00 33.47 30.24 2ayy s TRP 710 CO -0.02 0.67 -0.18 -1.17 0.02 0.00 0.00 176.95 176.27 2ayy s LEU 711 N -0.92 1.90 -0.41 2.99 0.20 -0.12 -1.09 118.68 121.24 2ayy s LEU 711 Ca 0.17 -0.51 0.08 0.00 0.69 0.00 0.00 54.13 54.56 2ayy s LEU 711 Cb -0.13 -1.25 0.43 0.00 -0.43 0.00 0.00 46.19 44.81 2ayy s LEU 711 CO 0.06 0.04 1.09 0.00 -0.29 0.00 0.00 176.35 177.25 2ayy n ALA 712 N 4.15 4.74 -2.65 5.97 0.00 0.29 -0.84 120.51 132.18 2ayy n ALA 712 Ca -0.19 -4.06 -0.40 0.00 0.00 0.00 0.00 53.44 48.78 2ayy n ALA 712 Cb 0.51 -0.60 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 -5.03 5.03 -0.08 0.00 1.01 -1.23 -2.66 120.40 117.44 2ayy s VAL 713 Ca 0.44 1.10 0.14 0.00 0.00 0.00 0.00 61.98 63.67 2ayy s VAL 713 Cb 0.41 -3.91 -0.12 0.00 0.00 0.00 0.00 36.38 32.76 2ayy s VAL 713 CO -0.13 0.09 1.01 0.03 0.00 0.00 0.00 175.10 176.10 2ayy h ARG 714 N 7.65 0.00 -6.23 2.72 2.47 -1.96 -3.45 114.38 115.59 2ayy h ARG 714 Ca -0.30 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 57.85 2ayy h ARG 714 Cb 1.14 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.44 2ayy h ARG 714 CO 0.76 0.48 1.24 -0.80 0.56 0.00 0.00 179.97 182.22 2ayy s ASN 715 N -6.14 6.12 0.06 7.04 0.01 -1.26 -4.92 114.94 115.86 2ayy s ASN 715 Ca -0.01 1.80 -0.34 0.00 -0.71 0.00 0.00 52.86 53.60 2ayy s ASN 715 Cb 0.08 -2.53 -0.19 0.00 0.41 0.00 0.00 41.25 39.03 2ayy s ASN 715 CO 0.80 -1.44 1.56 0.00 -1.51 0.00 0.00 177.10 176.51 2ayy h ALA 716 N 11.94 -1.04 -0.27 0.60 0.00 -1.99 0.26 119.26 128.76 2ayy h ALA 716 Ca -0.38 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.23 2ayy h ALA 716 Cb 1.19 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 2ayy h ALA 716 CO 0.99 -1.07 -0.15 0.77 0.00 0.00 0.00 179.25 179.79 2ayy h SER 717 N -1.07 0.45 -0.16 0.00 0.02 -1.99 -2.12 113.55 108.67 2ayy h SER 717 Ca -0.11 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 2ayy h SER 717 Cb 0.80 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.22 2ayy h SER 717 CO 0.17 0.62 -0.10 0.25 -1.14 0.00 0.00 176.83 176.63 2ayy h LEU 718 N 0.42 0.37 -0.11 5.07 7.12 -1.93 -2.14 115.31 124.11 2ayy h LEU 718 Ca 0.08 -0.43 0.03 0.00 0.13 0.00 0.00 57.88 57.68 2ayy h LEU 718 Cb 0.51 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.51 2ayy h LEU 718 CO 0.03 0.73 -0.06 0.00 -0.13 0.00 0.00 178.44 179.01 2ayy h GLN 720 N -0.06 0.12 0.41 0.00 1.08 -1.43 -1.42 115.11 113.81 2ayy h GLN 720 Ca 0.07 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2ayy h GLN 720 Cb 0.15 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2ayy h GLN 720 CO -0.15 0.38 -0.20 0.35 -0.95 0.00 0.00 178.83 178.26 2ayy h PHE 721 N 0.11 -0.51 -0.43 2.96 3.57 -0.74 -2.65 116.94 119.25 2ayy h PHE 721 Ca 0.02 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.40 2ayy h PHE 721 Cb 0.52 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 2ayy h PHE 721 CO 0.00 -0.19 -0.13 1.37 -2.23 0.00 0.00 178.31 177.14 2ayy h LEU 722 N -0.85 0.86 -0.70 0.59 8.10 -1.21 -2.42 115.31 119.68 2ayy h LEU 722 Ca -0.06 -0.37 -0.06 0.00 0.11 0.00 0.00 57.88 57.50 2ayy h LEU 722 Cb 0.55 -0.24 -0.03 0.00 -0.44 0.00 0.00 40.66 40.51 2ayy h LEU 722 CO 0.09 1.04 0.22 1.05 -4.11 0.00 0.00 178.44 176.72 2ayy h GLU 723 N 0.68 1.09 -0.23 0.17 4.11 -1.34 -1.06 114.58 118.00 2ayy h GLU 723 Ca 0.11 -0.24 -0.11 0.00 0.07 0.00 0.00 59.36 59.19 2ayy h GLU 723 Cb 0.67 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2ayy h GLU 723 CO 0.05 0.94 -0.33 1.15 0.07 0.00 0.00 179.01 180.88 2ayy h THR 724 N 1.03 1.29 -0.32 -1.06 2.02 -1.44 -0.56 112.91 113.86 2ayy h THR 724 Ca 0.22 -1.42 -0.03 0.00 0.77 0.00 0.00 66.41 65.95 2ayy h THR 724 Cb 0.31 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 2ayy h THR 724 CO -0.01 0.45 0.08 0.28 0.37 0.00 0.00 175.52 176.69 2ayy h SER 725 N 0.41 0.49 1.01 4.18 0.02 -0.85 -2.69 113.55 116.11 2ayy h SER 725 Ca 0.05 -0.22 -0.13 0.00 -0.84 0.00 0.00 61.79 60.65 2ayy h SER 725 Cb 0.78 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 2ayy h SER 725 CO 0.06 0.58 -0.60 0.17 -1.14 0.00 0.00 176.83 175.90 2ayy h LEU 726 N 0.37 0.00 -1.74 5.07 8.10 -1.13 -3.05 115.31 122.92 2ayy h LEU 726 Ca 0.10 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.06 2ayy h LEU 726 Cb 0.28 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.50 2ayy h LEU 726 CO -0.00 0.60 -0.16 1.56 -4.11 0.00 0.00 178.44 176.33 2ayy h GLN 727 N 0.00 0.00 0.00 0.17 1.08 -0.91 0.33 115.11 115.79 2ayy h GLN 727 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2ayy h GLN 727 Cb 1.27 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.70 2ayy h GLN 727 CO 0.08 0.16 0.00 0.00 -0.95 0.00 0.00 178.83 178.12 2ayy h ARG 728 N 0.00 0.00 -0.67 1.46 3.08 -1.36 -2.17 114.38 114.72 2ayy h ARG 728 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2ayy h ARG 728 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2ayy h ARG 728 CO 0.02 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.37 2ayy n SER 729 N -2.45 4.04 -0.27 7.04 2.88 0.10 -4.91 113.62 120.06 2ayy n SER 729 Ca 0.00 -2.19 -0.01 0.00 -1.33 0.00 0.00 58.87 55.34 2ayy n SER 729 Cb 0.17 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 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 1.37 0.43 3.47 0.46 0.00 -0.82 -4.93 105.19 105.17 2ayy n GLY 730 Ca 0.23 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.27 3.29 -0.16 -0.61 1.01 -1.20 -2.07 121.20 119.19 2ayy s ILE 731 Ca 0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 60.65 59.96 2ayy s ILE 731 Cb -0.00 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.07 2ayy s ILE 731 CO 0.01 0.56 0.13 0.54 0.00 0.00 0.00 174.94 176.18 2ayy s VAL 732 N -0.28 5.37 0.00 2.92 0.11 0.02 -4.06 120.40 124.49 2ayy s VAL 732 Ca 0.03 0.17 -0.05 0.00 -2.93 0.00 0.00 61.98 59.19 2ayy s VAL 732 Cb -0.13 -3.40 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 2ayy s VAL 732 CO 0.03 0.52 0.24 -0.69 -3.33 0.00 0.00 175.10 171.87 2ayy s VAL 733 N -0.27 5.34 -0.07 2.04 1.01 -1.26 -2.32 120.40 124.87 2ayy s VAL 733 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 2ayy s VAL 733 Cb -0.12 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.74 2ayy s VAL 733 CO 0.01 0.35 -0.01 -0.89 0.00 0.00 0.00 175.10 174.56 2ayy s THR 734 N -1.31 0.46 -0.11 3.92 2.01 -0.23 -4.96 115.64 115.41 2ayy s THR 734 Ca 0.27 0.06 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 2ayy s THR 734 Cb -0.13 -0.59 -0.06 0.00 0.01 0.00 0.00 72.50 71.73 2ayy s THR 734 CO 0.17 0.27 2.00 -0.89 -0.69 0.00 0.00 174.62 175.48 2ayy s THR 735 N 1.86 3.14 -0.66 -0.82 2.01 -1.26 -0.94 115.64 118.96 2ayy s THR 735 Ca 0.04 0.16 -0.23 0.00 0.31 0.00 0.00 61.69 61.96 2ayy s THR 735 Cb -0.12 -3.14 0.06 0.00 0.01 0.00 0.00 72.50 69.31 2ayy s THR 735 CO -0.05 -0.05 1.00 -0.47 -0.69 0.00 0.00 174.62 174.35 2ayy s TYR 736 N 6.10 2.64 -0.19 4.92 5.04 -0.02 -4.80 117.35 131.05 2ayy s TYR 736 Ca 0.90 -0.46 -0.06 0.00 -2.44 0.00 0.00 57.07 55.01 2ayy s TYR 736 Cb -0.36 -4.31 -0.21 0.00 0.35 0.00 0.00 41.96 37.43 2ayy s TYR 736 CO 0.37 -1.68 0.10 0.39 -1.34 0.00 0.00 175.55 173.39 2ayy n GLU 737 N 7.87 0.69 0.00 4.97 1.02 -1.26 -4.47 120.64 129.46 2ayy n GLU 737 Ca -0.03 0.26 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 2ayy n GLU 737 Cb 0.46 -1.64 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayy n GLY 738 N 1.97 0.00 0.00 0.62 0.00 -1.26 -5.11 105.19 101.41 2ayy n GLY 738 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2ayy n GLY 738 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ayy n GLN 739 N 0.00 0.00 -3.77 1.61 3.00 -1.26 -5.01 117.38 111.95 2ayy n GLN 739 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 2ayy n GLN 739 Cb 0.00 -0.40 -0.11 0.00 0.00 0.00 0.00 30.24 29.73 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 -0.16 0.34 -0.20 -1.09 -1.05 -1.26 -5.14 118.70 110.15 2ayy s GLU 740 Ca 0.00 0.41 -0.21 0.00 -0.15 0.00 0.00 54.97 55.02 2ayy s GLU 740 Cb 0.00 0.16 -0.02 0.00 -0.44 0.00 0.00 34.13 33.83 2ayy s GLU 740 CO 0.00 -0.04 0.64 -1.25 0.95 0.00 0.00 175.26 175.55 2ayy s PRO 741 N 0.18 4.22 -0.11 -4.83 0.05 -1.26 -5.07 135.00 128.17 2ayy s PRO 741 Ca -0.00 0.63 -0.01 0.00 0.05 0.00 0.00 61.00 61.67 2ayy s PRO 741 Cb -0.02 -3.58 -0.03 0.00 0.05 0.00 0.00 34.50 30.92 2ayy s PRO 741 CO 0.00 -0.24 -0.05 0.99 0.05 0.00 0.00 177.00 177.75 2ayy s THR 742 N 1.91 3.79 -0.62 1.26 2.01 -1.26 -4.87 115.64 117.85 2ayy s THR 742 Ca 0.29 -0.42 0.19 0.00 0.31 0.00 0.00 61.69 62.06 2ayy s THR 742 Cb -0.16 -2.60 0.19 0.00 0.01 0.00 0.00 72.50 69.94 2ayy s THR 742 CO 0.10 0.55 1.58 -0.81 -0.69 0.00 0.00 174.62 175.36 2ayy n PRO 743 N 2.88 0.12 0.00 4.92 -0.04 -1.26 -1.42 135.00 140.20 2ayy n PRO 743 Ca -0.18 0.42 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 2ayy n PRO 743 Cb 0.53 -1.76 0.06 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.99 1.68 -4.27 0.54 -0.58 -1.26 -2.37 120.64 112.38 2ayy n GLU 744 Ca 0.02 -1.43 -0.27 0.00 -0.42 0.00 0.00 57.16 55.06 2ayy n GLU 744 Cb 0.17 -1.37 -0.09 0.00 -0.57 0.00 0.00 31.44 29.57 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 -1.82 4.36 0.07 1.62 1.11 -0.51 -4.82 116.67 116.69 2ayy s ASP 745 Ca 0.21 -0.54 0.07 0.00 0.18 0.00 0.00 52.55 52.47 2ayy s ASP 745 Cb 0.16 -0.78 -0.04 0.00 1.07 0.00 0.00 42.92 43.33 2ayy s ASP 745 CO 0.32 0.10 -0.14 0.68 1.18 0.00 0.00 175.17 177.31 2ayy s VAL 746 N -1.72 3.06 -0.34 -1.27 -7.23 -1.26 -1.24 120.40 110.41 2ayy s VAL 746 Ca 0.25 -1.23 -0.08 0.00 -1.81 0.00 0.00 61.98 59.12 2ayy s VAL 746 Cb -0.09 -2.36 0.03 0.00 0.56 0.00 0.00 36.38 34.52 2ayy s VAL 746 CO 0.16 0.23 0.12 -0.22 -0.31 0.00 0.00 175.10 175.08 2ayy s LEU 747 N -1.79 4.30 -0.47 1.32 0.20 -0.13 -1.18 118.68 120.92 2ayy s LEU 747 Ca 0.17 -1.01 -0.19 0.00 0.69 0.00 0.00 54.13 53.80 2ayy s LEU 747 Cb -0.11 -1.91 0.04 0.00 -0.43 0.00 0.00 46.19 43.79 2ayy s LEU 747 CO 0.09 -0.31 0.57 -0.63 -0.29 0.00 0.00 176.35 175.78 2ayy s ILE 748 N 1.46 4.93 0.13 6.68 1.01 -0.25 -0.85 121.20 134.31 2ayy s ILE 748 Ca 0.00 -0.34 0.11 0.00 0.00 0.00 0.00 60.65 60.42 2ayy s ILE 748 Cb -0.19 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2ayy s ILE 748 CO 0.04 -0.65 -0.26 -0.89 0.00 0.00 0.00 174.94 173.17 2ayy s THR 749 N 2.51 2.31 0.10 2.92 2.01 0.06 -0.54 115.64 125.01 2ayy s THR 749 Ca 0.16 -1.75 0.03 0.00 0.31 0.00 0.00 61.69 60.43 2ayy s THR 749 Cb -0.18 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 2ayy s THR 749 CO 0.14 0.08 -0.08 -0.62 -0.69 0.00 0.00 174.62 173.45 2ayy s ASP 750 N -2.10 1.29 0.10 3.53 2.15 -1.09 -1.35 116.67 119.20 2ayy s ASP 750 Ca 0.15 -0.96 0.00 0.00 0.43 0.00 0.00 52.55 52.17 2ayy s ASP 750 Cb -0.10 0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.58 2ayy s ASP 750 CO 0.07 -0.40 0.00 -0.62 -0.17 0.00 0.00 175.17 174.05 2ayy n GLU 751 N 0.08 0.00 -3.27 4.34 1.02 -0.73 -4.29 120.64 117.80 2ayy n GLU 751 Ca -0.13 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.58 2ayy n GLU 751 Cb 0.60 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.94 2ayy n GLU 751 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2ayy s VAL 752 N 0.00 5.03 0.11 2.62 0.11 -1.26 -4.56 120.40 122.45 2ayy s VAL 752 Ca 0.00 -0.34 0.06 0.00 -2.93 0.00 0.00 61.98 58.76 2ayy s VAL 752 Cb 0.00 -4.11 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 2ayy s VAL 752 CO 0.00 -0.51 -0.14 0.68 -3.33 0.00 0.00 175.10 171.80 2ayy s VAL 753 N 2.28 1.28 -0.97 2.04 -7.23 -1.26 -5.03 120.40 111.51 2ayy s VAL 753 Ca 0.14 -1.64 0.08 0.00 -1.81 0.00 0.00 61.98 58.75 2ayy s VAL 753 Cb -0.17 -1.45 0.07 0.00 0.56 0.00 0.00 36.38 35.39 2ayy s VAL 753 CO 0.14 -0.38 0.77 -1.20 -0.31 0.00 0.00 175.10 174.12 2ayy n SER 754 N 0.67 1.72 -4.56 4.85 7.64 -1.26 -4.57 113.62 118.11 2ayy n SER 754 Ca -0.17 -1.37 -0.35 0.00 1.01 0.00 0.00 58.87 58.00 2ayy n SER 754 Cb 0.56 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.72 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 -0.68 2.91 -0.37 1.43 1.02 -1.26 -4.94 119.74 117.84 2ayy s LYS 755 Ca 0.10 -0.30 -0.28 0.00 0.02 0.00 0.00 55.97 55.51 2ayy s LYS 755 Cb 0.07 -4.88 0.02 0.00 -0.52 0.00 0.00 37.83 32.52 2ayy s LYS 755 CO 0.10 -2.80 1.04 0.21 -0.92 0.00 0.00 175.35 172.98 2ayy s LYS 756 N 6.36 3.91 0.33 1.68 2.20 -1.26 -5.01 119.74 127.94 2ayy s LYS 756 Ca 0.59 0.78 -0.26 0.00 -0.36 0.00 0.00 55.97 56.72 2ayy s LYS 756 Cb -0.06 -3.80 -0.10 0.00 -1.51 0.00 0.00 37.83 32.36 2ayy s LYS 756 CO 0.04 -1.02 0.99 -0.46 -0.36 0.00 0.00 175.35 174.53 2ayy s TRP 757 N 3.76 3.61 -0.33 4.03 -0.11 -1.26 -5.04 118.94 123.60 2ayy s TRP 757 Ca 0.43 1.75 0.01 0.00 1.22 0.00 0.00 56.10 59.52 2ayy s TRP 757 Cb -0.11 -3.03 0.10 0.00 -1.50 0.00 0.00 33.47 28.94 2ayy s TRP 757 CO 0.20 -0.06 0.09 -0.65 -4.62 0.00 0.00 176.95 171.91 2ayy s GLN 758 N -1.99 1.03 0.00 5.86 -1.52 -1.26 -4.88 119.66 116.90 2ayy s GLN 758 Ca 0.50 -1.43 0.00 0.00 -1.95 0.00 0.00 55.36 52.48 2ayy s GLN 758 Cb -0.22 -2.45 0.00 0.00 -0.22 0.00 0.00 33.01 30.12 2ayy s GLN 758 CO 0.28 -0.98 0.00 0.41 -0.25 0.00 0.00 175.29 174.74 2ayy n GLY 759 N 4.54 2.21 0.12 3.09 0.00 -1.26 -4.19 105.19 109.70 2ayy n GLY 759 Ca 0.01 0.17 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.18 -2.02 1.61 2.43 -0.79 -3.44 114.38 111.99 2ayy h ARG 760 Ca 0.00 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.12 2ayy h ARG 760 Cb 0.00 0.04 -0.19 0.00 -0.42 0.00 0.00 29.97 29.40 2ayy h ARG 760 CO 0.00 0.22 0.17 0.00 -1.51 0.00 0.00 179.97 178.85 2ayy s ALA 761 N -3.30 -1.75 -0.21 2.80 0.00 -1.24 -4.65 121.76 113.40 2ayy s ALA 761 Ca -0.11 1.44 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2ayy s ALA 761 Cb -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.93 2ayy s ALA 761 CO 0.39 -0.36 -0.11 0.08 0.00 0.00 0.00 175.76 175.76 2ayy s VAL 762 N -0.88 1.79 -0.46 0.00 1.01 -0.09 -0.96 120.40 120.81 2ayy s VAL 762 Ca -0.09 -1.17 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 2ayy s VAL 762 Cb -0.01 -1.87 0.11 0.00 0.00 0.00 0.00 36.38 34.61 2ayy s VAL 762 CO 0.08 0.13 0.34 -0.69 0.00 0.00 0.00 175.10 174.96 2ayy s VAL 763 N 1.32 4.33 -0.26 2.92 1.01 -0.03 -0.54 120.40 129.15 2ayy s VAL 763 Ca -0.03 -1.64 -0.08 0.00 0.00 0.00 0.00 61.98 60.24 2ayy s VAL 763 Cb -0.17 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2ayy s VAL 763 CO -0.08 -0.70 0.09 0.42 0.00 0.00 0.00 175.10 174.83 2ayy s THR 764 N 1.41 4.39 -0.39 3.92 -4.23 -1.02 -0.76 115.64 118.96 2ayy s THR 764 Ca 0.05 -0.20 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 2ayy s THR 764 Cb -0.26 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.50 2ayy s THR 764 CO 0.01 0.29 0.30 -0.36 -0.54 0.00 0.00 174.62 174.32 2ayy s PHE 765 N 1.62 3.23 0.10 3.99 0.40 -0.46 -2.63 117.98 124.23 2ayy s PHE 765 Ca 0.06 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.93 2ayy s PHE 765 Cb -0.15 -2.59 -0.03 0.00 0.51 0.00 0.00 43.02 40.76 2ayy s PHE 765 CO 0.04 -0.52 0.08 0.00 0.70 0.00 0.00 175.22 175.52 2ayy h ARG 767 N 2.89 0.22 0.00 0.00 2.47 -1.91 -3.21 114.38 114.84 2ayy h ARG 767 Ca -0.34 -0.26 -0.28 0.00 -1.26 0.00 0.00 59.98 57.84 2ayy h ARG 767 Cb 1.18 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 29.53 2ayy h ARG 767 CO 0.59 1.00 -2.05 0.54 0.56 0.00 0.00 179.97 180.62 2ayy n ARG 768 N -4.41 0.87 -2.69 0.04 5.12 -1.26 -4.90 116.66 109.42 2ayy n ARG 768 Ca -0.10 0.07 -0.00 0.00 -1.93 0.00 0.00 57.85 55.88 2ayy n ARG 768 Cb 0.57 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.50 2ayy n ARG 768 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2ayy n HIS 769 N -2.87 -2.32 -4.70 -1.55 -0.00 -1.26 -5.05 115.22 97.47 2ayy n HIS 769 Ca -0.30 0.89 -0.31 0.00 -0.00 0.00 0.00 57.72 58.00 2ayy n HIS 769 Cb 0.90 -3.52 -0.13 0.00 -0.00 0.00 0.00 29.99 27.24 2ayy n HIS 769 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ayy s ILE 770 N -2.97 2.67 0.00 3.57 1.01 -1.26 -4.72 121.20 119.50 2ayy s ILE 770 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.43 2ayy s ILE 770 Cb -0.00 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.36 2ayy s ILE 770 CO 0.58 0.34 0.00 0.61 0.00 0.00 0.00 174.94 176.47 2ayy n GLY 771 N 1.59 2.74 3.75 6.18 0.00 -1.26 -4.94 105.19 113.25 2ayy n GLY 771 Ca -0.16 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 4.67 0.28 -0.61 1.09 -1.26 -5.01 121.20 120.35 2ayy s ILE 772 Ca 0.00 1.67 -0.29 0.00 -1.10 0.00 0.00 60.65 60.93 2ayy s ILE 772 Cb 0.00 -4.13 -0.14 0.00 -1.06 0.00 0.00 42.46 37.13 2ayy s ILE 772 CO 0.00 0.38 1.08 -2.65 -0.10 0.00 0.00 174.94 173.65 2ayy n PRO 773 N 2.64 1.47 -2.43 2.79 -0.02 -1.26 -4.89 135.00 133.29 2ayy n PRO 773 Ca -0.03 0.52 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 2ayy n PRO 773 Cb 0.50 -1.94 0.01 0.00 -0.02 0.00 0.00 33.50 32.05 2ayy n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayy n LEU 774 N 1.30 7.51 0.00 2.45 -0.00 -1.26 -4.77 117.00 122.22 2ayy n LEU 774 Ca 0.10 -5.22 0.00 0.00 -0.00 0.00 0.00 56.01 50.89 2ayy n LEU 774 Cb 0.32 -1.21 0.00 0.00 -0.00 0.00 0.00 43.42 42.53 2ayy n LEU 774 CO 0.61 2.03 0.00 1.21 -0.00 0.00 0.00 177.39 181.23 2ayy n GLU 775 N 0.31 0.00 -2.26 1.47 2.13 -1.26 -4.76 120.64 116.27 2ayy n GLU 775 Ca 0.51 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 58.22 2ayy n GLU 775 Cb 0.26 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 31.96 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 13.39 -2.15 -3.64 5.31 4.76 -1.26 -4.82 118.16 129.75 2ayy n LYS 776 Ca 0.00 0.53 -0.08 0.00 -2.87 0.00 0.00 58.31 55.90 2ayy n LYS 776 Cb 0.00 -5.06 -0.07 0.00 -1.84 0.00 0.00 35.03 28.07 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 -2.43 -2.04 -1.01 7.82 0.00 -1.26 -5.09 121.76 117.75 2ayy s ALA 777 Ca 0.00 1.95 -0.24 0.00 0.00 0.00 0.00 51.96 53.67 2ayy s ALA 777 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 23.12 21.55 2ayy s ALA 777 CO 0.00 -0.26 1.97 -2.14 0.00 0.00 0.00 175.76 175.33 2ayy s PRO 778 N 0.48 2.45 0.00 0.00 0.02 -1.26 -2.26 135.00 134.43 2ayy s PRO 778 Ca 0.01 -0.60 0.00 0.00 0.02 0.00 0.00 61.00 60.43 2ayy s PRO 778 Cb -0.05 -5.12 0.00 0.00 0.02 0.00 0.00 34.50 29.35 2ayy s PRO 778 CO -0.08 -3.73 0.00 0.41 -0.33 0.00 0.00 177.00 173.27 2ayy n GLY 779 N 6.43 0.33 3.38 0.52 0.00 -1.26 -5.05 105.19 109.54 2ayy n GLY 779 Ca 0.42 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 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 3.03 -0.00 1.61 -1.05 -0.96 -0.91 118.70 120.42 2ayy s GLU 780 Ca 0.00 -0.72 0.06 0.00 -0.15 0.00 0.00 54.97 54.15 2ayy s GLU 780 Cb 0.00 -2.49 -0.02 0.00 -0.44 0.00 0.00 34.13 31.19 2ayy s GLU 780 CO 0.00 0.35 -0.18 -1.58 0.95 0.00 0.00 175.26 174.79 2ayy s TRP 781 N -0.01 1.62 -0.07 4.83 0.52 0.30 -4.05 118.94 122.09 2ayy s TRP 781 Ca -0.04 -0.32 0.04 0.00 0.02 0.00 0.00 56.10 55.80 2ayy s TRP 781 Cb -0.14 -1.03 0.00 0.00 -1.15 0.00 0.00 33.47 31.15 2ayy s TRP 781 CO 0.04 -0.01 -0.18 0.54 0.02 0.00 0.00 176.95 177.36 2ayy s VAL 782 N -0.50 1.58 -0.06 4.03 0.11 -1.26 -2.44 120.40 121.86 2ayy s VAL 782 Ca 0.07 -0.77 -0.19 0.00 -2.93 0.00 0.00 61.98 58.16 2ayy s VAL 782 Cb -0.07 -1.38 0.04 0.00 -1.53 0.00 0.00 36.38 33.44 2ayy s VAL 782 CO -0.00 0.45 0.44 -2.28 -3.33 0.00 0.00 175.10 170.38 2ayy s HIS 783 N 0.27 -0.37 0.42 1.54 2.46 -1.08 -4.99 115.29 113.53 2ayy s HIS 783 Ca -0.11 0.70 -0.23 0.00 0.47 0.00 0.00 55.06 55.90 2ayy s HIS 783 Cb -0.15 0.19 -0.10 0.00 -0.13 0.00 0.00 32.58 32.40 2ayy s HIS 783 CO 0.05 -0.41 1.00 -1.12 -2.47 0.00 0.00 174.74 171.79 2ayy s SER 784 N -0.93 6.80 0.00 9.88 0.01 -1.24 -1.28 113.70 126.93 2ayy s SER 784 Ca -0.10 1.88 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2ayy s SER 784 Cb -0.03 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2ayy s SER 784 CO 0.05 -0.46 0.00 0.52 0.41 0.00 0.00 173.24 173.76 2ayy n VAL 785 N -0.35 0.00 0.00 3.43 0.31 -1.21 -4.73 118.33 115.77 2ayy n VAL 785 Ca 0.06 0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.46 2ayy n VAL 785 Cb 0.52 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ayy n ALA 786 N -3.00 0.00 -3.54 3.52 0.00 -1.26 -2.83 120.51 113.40 2ayy n ALA 786 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 2ayy n ALA 786 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 2ayy n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayy n ALA 787 N 4.88 3.47 -0.85 0.00 0.00 -1.26 -5.00 120.51 121.75 2ayy n ALA 787 Ca 0.00 -4.29 -0.14 0.00 0.00 0.00 0.00 53.44 49.01 2ayy n ALA 787 Cb 0.00 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 2ayy n ALA 787 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ayy n PRO 788 N 1.53 1.87 0.00 0.00 -0.04 -1.13 -4.11 135.00 133.12 2ayy n PRO 788 Ca 0.25 -1.01 0.12 0.00 -0.04 0.00 0.00 63.50 62.83 2ayy n PRO 788 Cb 0.42 -2.04 0.29 0.00 -0.04 0.00 0.00 33.50 32.13 2ayy n PRO 788 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2ayy n HIS 789 N 2.84 0.00 1.01 0.54 1.44 -1.26 -3.38 115.22 116.41 2ayy n HIS 789 Ca 0.40 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 56.22 2ayy n HIS 789 Cb 0.64 -0.25 -0.02 0.00 0.12 0.00 0.00 29.99 30.48 2ayy n HIS 789 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2ayy n GLU 790 N -1.40 0.19 0.01 -1.40 -0.00 -1.26 -4.40 120.64 112.39 2ayy n GLU 790 Ca 0.06 -0.15 -0.10 0.00 -0.00 0.00 0.00 57.16 56.98 2ayy n GLU 790 Cb 0.34 -1.50 -0.04 0.00 -0.00 0.00 0.00 31.44 30.24 2ayy n GLU 790 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ayy h LEU 791 N 0.36 -0.26 -2.05 -1.84 5.85 -1.88 0.30 115.31 115.80 2ayy h LEU 791 Ca 0.00 0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 2ayy h LEU 791 Cb 0.53 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2ayy h LEU 791 CO 0.00 -0.12 -0.02 -0.65 -0.34 0.00 0.00 178.44 177.31 2ayy h PRO 792 N -0.10 0.00 -0.04 5.25 0.11 -1.80 -0.08 132.00 135.33 2ayy h PRO 792 Ca 0.06 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.93 2ayy h PRO 792 Cb 0.19 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.32 2ayy h PRO 792 CO -0.15 0.02 -0.94 0.00 -0.21 0.00 0.00 178.00 176.73 2ayy h ALA 793 N 1.98 0.26 -0.47 -0.75 0.00 -1.62 -1.50 119.26 117.15 2ayy h ALA 793 Ca -0.00 -0.67 -0.04 0.00 0.00 0.00 0.00 54.91 54.20 2ayy h ALA 793 Cb 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2ayy h ALA 793 CO 0.00 0.72 0.12 1.25 0.00 0.00 0.00 179.25 181.34 2ayy h LEU 794 N 0.39 0.71 -0.64 0.00 5.85 -0.13 0.03 115.31 121.52 2ayy h LEU 794 Ca -0.09 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2ayy h LEU 794 Cb 1.58 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 2ayy h LEU 794 CO 0.18 0.75 0.36 0.25 -0.34 0.00 0.00 178.44 179.64 2ayy h LEU 795 N 0.63 0.80 -0.65 2.25 7.12 -1.05 -1.06 115.31 123.35 2ayy h LEU 795 Ca 0.15 -0.09 -0.01 0.00 0.13 0.00 0.00 57.88 58.07 2ayy h LEU 795 Cb 0.32 -0.20 -0.03 0.00 -0.53 0.00 0.00 40.66 40.21 2ayy h LEU 795 CO 0.00 0.65 0.38 0.00 -0.13 0.00 0.00 178.44 179.34 2ayy h ALA 796 N 1.18 0.83 -0.76 1.25 0.00 -1.01 -0.88 119.26 119.86 2ayy h ALA 796 Ca 0.23 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.08 2ayy h ALA 796 Cb 0.02 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 2ayy h ALA 796 CO -0.04 0.31 0.48 -0.09 0.00 0.00 0.00 179.25 179.91 2ayy h ARG 797 N 0.88 0.91 -0.75 0.00 9.65 -0.49 0.51 114.38 125.10 2ayy h ARG 797 Ca 0.23 -0.05 -0.04 0.00 -1.10 0.00 0.00 59.98 59.01 2ayy h ARG 797 Cb -0.01 -0.21 -0.03 0.00 -1.39 0.00 0.00 29.97 28.33 2ayy h ARG 797 CO -0.04 0.60 0.30 0.82 2.80 0.00 0.00 179.97 184.45 2ayy h ILE 798 N 0.94 1.25 -0.06 1.20 2.04 -0.71 -2.04 117.51 120.13 2ayy h ILE 798 Ca 0.30 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.38 2ayy h ILE 798 Cb 0.01 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2ayy h ILE 798 CO -0.11 0.32 0.00 -1.22 0.00 0.00 0.00 178.15 177.14 2ayy n TYR 799 N -4.33 0.08 -3.32 1.37 4.02 -0.38 -4.87 117.16 109.73 2ayy n TYR 799 Ca 0.06 -0.04 -0.19 0.00 -0.01 0.00 0.00 57.90 57.72 2ayy n TYR 799 Cb 0.18 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.56 2ayy n TYR 799 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 2ayy n LEU 800 N -0.38 -3.05 -4.90 7.72 7.94 -0.35 -5.01 117.00 118.97 2ayy n LEU 800 Ca 0.09 -0.41 -0.32 0.00 -1.11 0.00 0.00 56.01 54.26 2ayy n LEU 800 Cb 0.10 -2.53 -0.05 0.00 0.53 0.00 0.00 43.42 41.47 2ayy n LEU 800 CO 0.07 0.49 0.01 -0.63 -1.11 0.00 0.00 177.39 176.21 2ayy s ILE 801 N -3.23 5.19 0.57 1.96 -1.09 0.17 -4.99 121.20 119.78 2ayy s ILE 801 Ca 0.44 0.02 0.37 0.00 -2.23 0.00 0.00 60.65 59.25 2ayy s ILE 801 Cb -0.20 -3.62 0.39 0.00 -1.58 0.00 0.00 42.46 37.46 2ayy s ILE 801 CO 0.55 0.07 2.27 -0.33 -1.23 0.00 0.00 174.94 176.28 2ayy h GLU 802 N 2.94 0.00 -3.32 2.79 3.07 -1.95 -3.35 114.58 114.77 2ayy h GLU 802 Ca -0.46 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 57.72 2ayy h GLU 802 Cb 1.17 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.09 2ayy h GLU 802 CO 0.72 0.02 3.62 -1.33 -1.40 0.00 0.00 179.01 180.64 2ayy n MET 803 N -3.40 3.41 -4.46 2.33 2.81 -1.26 -4.85 117.12 111.70 2ayy n MET 803 Ca -0.03 -2.30 -0.33 0.00 -1.81 0.00 0.00 57.70 53.23 2ayy n MET 803 Cb 0.11 -2.94 -0.15 0.00 -0.71 0.00 0.00 33.22 29.54 2ayy n MET 803 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 2ayy s GLU 804 N 2.52 3.30 0.34 0.03 -1.05 -1.25 -4.44 118.70 118.14 2ayy s GLU 804 Ca 0.62 -0.70 -0.04 0.00 -0.15 0.00 0.00 54.97 54.70 2ayy s GLU 804 Cb 0.17 -2.71 0.02 0.00 -0.44 0.00 0.00 34.13 31.17 2ayy s GLU 804 CO -0.07 0.03 0.52 0.43 0.95 0.00 0.00 175.26 177.12 2ayy n SER 805 N 4.05 -1.47 -3.94 0.83 7.64 -1.26 -5.09 113.62 114.39 2ayy n SER 805 Ca -0.19 -2.72 -0.17 0.00 1.01 0.00 0.00 58.87 56.80 2ayy n SER 805 Cb 0.52 2.65 -0.15 0.00 -1.01 0.00 0.00 64.21 66.21 2ayy n SER 805 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayy s ASP 806 N -3.02 0.71 -0.27 6.43 2.15 -1.26 -4.91 116.67 116.51 2ayy s ASP 806 Ca 0.25 -0.10 -0.03 0.00 0.43 0.00 0.00 52.55 53.10 2ayy s ASP 806 Cb -0.02 -0.17 0.11 0.00 -0.30 0.00 0.00 42.92 42.54 2ayy s ASP 806 CO 0.18 0.03 0.20 -0.62 -0.17 0.00 0.00 175.17 174.79 2ayy s ASP 807 N 0.20 2.39 0.16 -0.34 2.15 -1.26 -5.02 116.67 114.95 2ayy s ASP 807 Ca -0.02 -0.86 -0.05 0.00 0.43 0.00 0.00 52.55 52.04 2ayy s ASP 807 Cb -0.06 0.10 0.02 0.00 -0.30 0.00 0.00 42.92 42.68 2ayy s ASP 807 CO -0.00 -0.40 1.42 1.55 -0.17 0.00 0.00 175.17 177.58 2ayy h PRO 808 N 8.34 0.58 -6.49 4.34 0.13 -2.04 -3.48 132.00 133.38 2ayy h PRO 808 Ca -0.17 -0.43 -0.50 0.00 -0.87 0.00 0.00 66.00 64.04 2ayy h PRO 808 Cb 1.07 0.08 -0.05 0.00 0.13 0.00 0.00 31.00 32.23 2ayy h PRO 808 CO 0.36 1.05 -0.89 0.00 -0.23 0.00 0.00 178.00 178.29 2ayy n ALA 809 N -2.54 -2.05 -3.79 -0.56 0.00 -1.26 -4.95 120.51 105.36 2ayy n ALA 809 Ca -0.05 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.83 2ayy n ALA 809 Cb 0.68 -1.60 -0.17 0.00 0.00 0.00 0.00 19.45 18.36 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 -4.32 2.45 -0.44 0.00 3.84 -1.26 -5.03 114.94 110.17 2ayy s ASN 810 Ca 0.03 -0.42 0.06 0.00 0.21 0.00 0.00 52.86 52.74 2ayy s ASN 810 Cb -0.01 -1.07 0.22 0.00 -0.55 0.00 0.00 41.25 39.84 2ayy s ASN 810 CO 0.89 -0.02 0.61 0.00 -2.79 0.00 0.00 177.10 175.78 2ayy n ALA 811 N 4.46 0.86 -2.60 1.71 0.00 -1.26 -5.12 120.51 118.56 2ayy n ALA 811 Ca -0.18 -2.44 -0.42 0.00 0.00 0.00 0.00 53.44 50.39 2ayy n ALA 811 Cb 0.51 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 2ayy n ALA 811 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ayy s LEU 812 N -0.44 4.05 0.00 0.00 1.02 -1.26 -5.03 118.68 117.01 2ayy s LEU 812 Ca 0.33 0.48 0.00 0.00 0.02 0.00 0.00 54.13 54.96 2ayy s LEU 812 Cb 0.13 -3.17 0.00 0.00 0.02 0.00 0.00 46.19 43.17 2ayy s LEU 812 CO -0.16 -0.82 0.00 -0.81 0.02 0.00 0.00 176.35 174.59 2ayy n PRO 813 N 6.66 0.95 -3.11 1.29 -0.04 -1.26 -5.09 135.00 134.40 2ayy n PRO 813 Ca 0.06 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.16 2ayy n PRO 813 Cb 0.48 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 2ayy n PRO 813 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2ayy s SER 814 N -1.00 6.98 0.00 3.54 1.04 -1.26 -4.97 113.70 118.03 2ayy s SER 814 Ca 0.00 1.38 0.00 0.00 0.48 0.00 0.00 55.95 57.82 2ayy s SER 814 Cb 0.00 -2.41 0.01 0.00 0.10 0.00 0.00 66.02 63.72 2ayy s SER 814 CO 0.00 -0.03 0.92 0.41 0.98 0.00 0.00 173.24 175.51 2ayy n THR 815 N 0.43 0.82 -1.93 2.02 -1.04 -1.26 -5.32 114.28 108.00 2ayy n THR 815 Ca -0.01 -0.91 0.00 0.00 -2.04 0.00 0.00 64.05 61.09 2ayy n THR 815 Cb 0.52 0.59 0.00 0.00 -1.82 0.00 0.00 70.33 69.62 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76