#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayy s GLY 697 N 0.00 1.97 -0.36 -5.12 0.00 -1.26 -5.07 107.32 97.48 2ayy s GLY 697 Ca 0.00 -1.90 0.13 0.00 0.00 0.00 0.00 44.72 42.95 2ayy s GLY 697 CO 0.00 -1.90 1.00 0.61 0.00 0.00 0.00 173.10 172.81 2ayy n GLY 698 N -0.84 1.88 3.17 0.20 0.00 -1.26 -5.10 105.19 103.24 2ayy n GLY 698 Ca -0.05 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 2ayy n GLY 698 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ayy s SER 699 N -2.34 3.03 -0.07 1.61 1.04 -1.26 -5.11 113.70 110.60 2ayy s SER 699 Ca 0.29 -0.57 -0.01 0.00 0.48 0.00 0.00 55.95 56.13 2ayy s SER 699 Cb 0.40 -1.40 0.03 0.00 0.10 0.00 0.00 66.02 65.15 2ayy s SER 699 CO -0.03 0.09 -0.00 -0.83 0.98 0.00 0.00 173.24 173.45 2ayy s GLY 700 N 0.72 0.48 0.04 7.32 0.00 -1.26 -5.14 107.32 109.48 2ayy s GLY 700 Ca -0.10 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.50 2ayy s GLY 700 CO 0.01 1.11 0.09 0.54 0.00 0.00 0.00 173.10 174.85 2ayy s VAL 701 N 1.93 4.71 0.40 1.40 0.11 -1.26 -5.12 120.40 122.57 2ayy s VAL 701 Ca 0.05 -0.57 0.08 0.00 -2.93 0.00 0.00 61.98 58.60 2ayy s VAL 701 Cb -0.12 -3.22 -0.04 0.00 -1.53 0.00 0.00 36.38 31.47 2ayy s VAL 701 CO -0.05 0.22 0.27 -1.61 -3.33 0.00 0.00 175.10 170.60 2ayy s GLU 702 N -2.12 2.42 -0.57 1.54 8.01 -1.26 -5.10 118.70 121.62 2ayy s GLU 702 Ca 0.27 -1.62 0.01 0.00 0.01 0.00 0.00 54.97 53.64 2ayy s GLU 702 Cb -0.12 -2.22 0.14 0.00 -4.31 0.00 0.00 34.13 27.62 2ayy s GLU 702 CO 0.19 -0.09 0.35 0.20 0.01 0.00 0.00 175.26 175.91 2ayy s GLY 703 N -4.00 2.48 -0.31 -1.39 0.00 -1.26 -5.07 107.32 97.78 2ayy s GLY 703 Ca 0.43 -3.28 -0.22 0.00 0.00 0.00 0.00 44.72 41.65 2ayy s GLY 703 CO 0.25 1.05 0.73 1.08 0.00 0.00 0.00 173.10 176.22 2ayy s LEU 704 N -0.21 4.11 0.00 0.66 2.01 -1.26 -5.04 118.68 118.95 2ayy s LEU 704 Ca 0.17 0.58 0.00 0.00 0.01 0.00 0.00 54.13 54.89 2ayy s LEU 704 Cb -0.23 -2.99 0.00 0.00 0.01 0.00 0.00 46.19 42.98 2ayy s LEU 704 CO -0.02 -0.57 0.00 -1.20 1.01 0.00 0.00 176.35 175.57 2ayy n SER 705 N 6.10 0.93 0.00 2.29 7.64 -1.26 -5.15 113.62 124.16 2ayy n SER 705 Ca 0.02 -0.97 0.00 0.00 1.01 0.00 0.00 58.87 58.94 2ayy n SER 705 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2ayy n SER 705 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayy n GLY 706 N 5.00 0.86 3.77 0.23 0.00 -1.26 -5.15 105.19 108.64 2ayy n GLY 706 Ca 0.00 0.49 -0.38 0.00 0.00 0.00 0.00 46.02 46.13 2ayy n GLY 706 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ayy s LYS 707 N 0.00 4.60 0.17 1.61 2.20 -1.26 -4.97 119.74 122.09 2ayy s LYS 707 Ca 0.00 1.47 0.11 0.00 -0.36 0.00 0.00 55.97 57.18 2ayy s LYS 707 Cb 0.00 -2.94 -0.04 0.00 -1.51 0.00 0.00 37.83 33.34 2ayy s LYS 707 CO 0.00 0.27 -0.21 1.03 -0.36 0.00 0.00 175.35 176.07 2ayy s ARG 708 N -1.81 1.62 -0.17 4.03 0.52 -1.26 -1.79 118.95 120.10 2ayy s ARG 708 Ca 0.48 -1.41 -0.01 0.00 -0.52 0.00 0.00 55.73 54.27 2ayy s ARG 708 Cb -0.23 -1.94 0.04 0.00 0.52 0.00 0.00 34.95 33.35 2ayy s ARG 708 CO 0.29 0.42 -0.04 0.00 0.02 0.00 0.00 175.30 175.99 2ayy s TRP 710 N 1.66 3.21 -0.24 0.00 0.52 0.06 -0.71 118.94 123.44 2ayy s TRP 710 Ca 0.01 0.51 -0.06 0.00 0.02 0.00 0.00 56.10 56.57 2ayy s TRP 710 Cb -0.15 -2.94 -0.02 0.00 -1.15 0.00 0.00 33.47 29.21 2ayy s TRP 710 CO -0.08 -0.46 0.04 -1.17 0.02 0.00 0.00 176.95 175.30 2ayy s LEU 711 N 2.52 3.29 -0.48 2.99 0.20 0.19 -0.80 118.68 126.59 2ayy s LEU 711 Ca 0.23 -0.25 0.05 0.00 0.69 0.00 0.00 54.13 54.85 2ayy s LEU 711 Cb -0.15 -1.87 0.40 0.00 -0.43 0.00 0.00 46.19 44.14 2ayy s LEU 711 CO 0.12 -0.02 1.09 0.00 -0.29 0.00 0.00 176.35 177.24 2ayy n ALA 712 N 4.84 5.01 -2.69 5.97 0.00 0.25 -1.59 120.51 132.31 2ayy n ALA 712 Ca -0.17 -4.41 -0.37 0.00 0.00 0.00 0.00 53.44 48.50 2ayy n ALA 712 Cb 0.51 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 19.28 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 -5.32 5.31 -0.06 0.00 1.01 -1.25 -2.61 120.40 117.47 2ayy s VAL 713 Ca 0.48 0.42 0.14 0.00 0.00 0.00 0.00 61.98 63.02 2ayy s VAL 713 Cb 0.38 -3.59 -0.19 0.00 0.00 0.00 0.00 36.38 32.97 2ayy s VAL 713 CO -0.18 0.34 0.77 0.03 0.00 0.00 0.00 175.10 176.06 2ayy h ARG 714 N 7.18 0.00 -5.64 2.72 3.08 -1.96 -3.44 114.38 116.32 2ayy h ARG 714 Ca -0.38 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.21 2ayy h ARG 714 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.22 2ayy h ARG 714 CO 0.71 0.45 1.59 -0.80 -1.07 0.00 0.00 179.97 180.85 2ayy s ASN 715 N -6.03 4.48 0.09 7.04 0.01 -1.26 -4.85 114.94 114.42 2ayy s ASN 715 Ca -0.04 1.00 -0.25 0.00 -0.71 0.00 0.00 52.86 52.87 2ayy s ASN 715 Cb 0.08 -2.50 -0.15 0.00 0.41 0.00 0.00 41.25 39.09 2ayy s ASN 715 CO 0.82 -2.87 1.72 0.00 -1.51 0.00 0.00 177.10 175.26 2ayy h ALA 716 N 19.16 -0.16 -0.59 0.60 0.00 -1.99 0.36 119.26 136.63 2ayy h ALA 716 Ca -0.24 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2ayy h ALA 716 Cb 1.26 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2ayy h ALA 716 CO 1.16 -0.60 0.30 0.77 0.00 0.00 0.00 179.25 180.89 2ayy h SER 717 N -0.17 0.75 -0.62 0.00 0.02 -1.98 -2.25 113.55 109.29 2ayy h SER 717 Ca -0.01 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 2ayy h SER 717 Cb 0.14 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 2ayy h SER 717 CO 0.01 0.65 0.14 0.25 -1.14 0.00 0.00 176.83 176.74 2ayy h LEU 718 N 0.80 0.95 0.12 5.07 7.12 -1.89 -2.60 115.31 124.89 2ayy h LEU 718 Ca 0.20 -0.24 0.01 0.00 0.13 0.00 0.00 57.88 57.98 2ayy h LEU 718 Cb 0.08 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.95 2ayy h LEU 718 CO -0.03 0.95 -0.14 0.00 -0.13 0.00 0.00 178.44 179.09 2ayy h GLN 720 N -0.30 0.00 0.27 0.00 -0.00 -1.41 -1.64 115.11 112.03 2ayy h GLN 720 Ca 0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2ayy h GLN 720 Cb 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.77 2ayy h GLN 720 CO -0.05 0.38 -0.13 0.35 -0.00 0.00 0.00 178.83 179.38 2ayy h PHE 721 N 0.00 -0.34 -0.26 0.06 3.57 -1.08 -2.86 116.94 116.04 2ayy h PHE 721 Ca -0.00 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.37 2ayy h PHE 721 Cb 0.70 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.54 2ayy h PHE 721 CO 0.00 -0.02 -0.33 1.37 -2.23 0.00 0.00 178.31 177.10 2ayy h LEU 722 N -0.68 0.56 -0.38 0.59 8.10 -1.15 -2.53 115.31 119.81 2ayy h LEU 722 Ca -0.04 -0.22 -0.05 0.00 0.11 0.00 0.00 57.88 57.68 2ayy h LEU 722 Cb 0.47 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.52 2ayy h LEU 722 CO 0.06 0.86 0.05 1.05 -4.11 0.00 0.00 178.44 176.35 2ayy h GLU 723 N 0.46 0.64 -0.32 0.17 -0.00 -1.36 -0.94 114.58 113.23 2ayy h GLU 723 Ca 0.05 -0.18 -0.06 0.00 -0.00 0.00 0.00 59.36 59.18 2ayy h GLU 723 Cb 0.80 -0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 29.46 2ayy h GLU 723 CO 0.07 0.71 -0.05 1.15 -0.00 0.00 0.00 179.01 180.89 2ayy h THR 724 N 0.48 1.21 -0.30 -1.06 2.02 -1.43 -0.86 112.91 112.97 2ayy h THR 724 Ca 0.11 -0.86 -0.07 0.00 0.77 0.00 0.00 66.41 66.36 2ayy h THR 724 Cb 0.39 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2ayy h THR 724 CO 0.01 0.29 -0.11 0.28 0.37 0.00 0.00 175.52 176.36 2ayy h SER 725 N 0.48 0.61 -0.17 4.18 0.02 -1.03 -2.85 113.55 114.79 2ayy h SER 725 Ca 0.10 -0.39 -0.19 0.00 -0.84 0.00 0.00 61.79 60.47 2ayy h SER 725 Cb 0.38 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2ayy h SER 725 CO 0.02 0.86 -0.61 0.25 -1.14 0.00 0.00 176.83 176.20 2ayy h LEU 726 N 0.36 0.89 0.00 5.07 5.85 -0.97 -2.92 115.31 123.58 2ayy h LEU 726 Ca 0.07 -0.51 0.00 0.00 0.84 0.00 0.00 57.88 58.29 2ayy h LEU 726 Cb 0.61 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2ayy h LEU 726 CO 0.04 1.29 0.00 0.00 -0.34 0.00 0.00 178.44 179.43 2ayy n GLN 727 N -3.97 0.01 -0.07 1.25 6.02 -0.35 -2.09 117.38 118.19 2ayy n GLN 727 Ca -0.05 0.28 0.02 0.00 -0.01 0.00 0.00 57.00 57.23 2ayy n GLN 727 Cb 0.66 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.75 2ayy n GLN 727 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ayy h ARG 728 N 0.00 0.67 -0.05 -1.09 2.47 -1.30 -2.84 114.38 112.25 2ayy h ARG 728 Ca 0.00 -0.07 -0.09 0.00 -1.26 0.00 0.00 59.98 58.57 2ayy h ARG 728 Cb 0.21 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.40 2ayy h ARG 728 CO 0.00 0.51 -0.30 1.03 0.56 0.00 0.00 179.97 181.77 2ayy h SER 729 N 0.68 0.36 0.00 7.04 0.87 -1.61 -3.48 113.55 117.41 2ayy h SER 729 Ca 0.17 -0.66 0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2ayy h SER 729 Cb 0.04 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 2ayy h SER 729 CO -0.03 0.97 0.00 0.61 -0.53 0.00 0.00 176.83 177.85 2ayy n GLY 730 N 0.74 0.61 3.30 5.77 0.00 -1.07 -5.13 105.19 109.40 2ayy n GLY 730 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 2ayy n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 731 N -0.68 3.36 0.03 -0.61 1.01 -1.26 -4.67 121.20 118.38 2ayy s ILE 731 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.75 2ayy s ILE 731 Cb 0.00 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 2ayy s ILE 731 CO 0.00 0.35 1.12 0.54 0.00 0.00 0.00 174.94 176.95 2ayy s VAL 732 N 1.46 4.35 0.22 2.92 0.11 -0.74 -4.02 120.40 124.70 2ayy s VAL 732 Ca 0.05 1.69 -0.20 0.00 -2.93 0.00 0.00 61.98 60.58 2ayy s VAL 732 Cb -0.15 -4.08 -0.08 0.00 -1.53 0.00 0.00 36.38 30.54 2ayy s VAL 732 CO -0.03 0.12 0.73 0.68 -3.33 0.00 0.00 175.10 173.27 2ayy s VAL 733 N 1.12 4.56 -0.01 2.04 -7.23 -1.26 -0.91 120.40 118.70 2ayy s VAL 733 Ca 0.56 1.31 -0.01 0.00 -1.81 0.00 0.00 61.98 62.03 2ayy s VAL 733 Cb -0.26 -3.87 0.01 0.00 0.56 0.00 0.00 36.38 32.82 2ayy s VAL 733 CO 0.28 0.22 0.02 -0.89 -0.31 0.00 0.00 175.10 174.43 2ayy s THR 734 N -1.51 -0.01 -0.15 5.32 2.01 0.11 -4.88 115.64 116.53 2ayy s THR 734 Ca 0.43 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 62.18 2ayy s THR 734 Cb -0.17 -0.05 -0.02 0.00 0.01 0.00 0.00 72.50 72.27 2ayy s THR 734 CO 0.21 0.02 1.35 -0.89 -0.69 0.00 0.00 174.62 174.62 2ayy s THR 735 N 0.24 4.12 -0.91 -0.82 2.01 -1.26 -0.64 115.64 118.38 2ayy s THR 735 Ca -0.02 1.35 -0.24 0.00 0.31 0.00 0.00 61.69 63.08 2ayy s THR 735 Cb -0.03 -3.89 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 2ayy s THR 735 CO -0.01 -0.15 1.74 -0.47 -0.69 0.00 0.00 174.62 175.05 2ayy s TYR 736 N 3.71 2.06 -0.88 4.92 5.04 -0.62 -4.72 117.35 126.87 2ayy s TYR 736 Ca 0.59 0.11 0.15 0.00 -2.44 0.00 0.00 57.07 55.48 2ayy s TYR 736 Cb -0.24 -4.30 0.47 0.00 0.35 0.00 0.00 41.96 38.24 2ayy s TYR 736 CO 0.18 -1.87 1.39 -0.85 -1.34 0.00 0.00 175.55 173.06 2ayy n GLU 737 N 8.92 3.04 0.00 4.97 0.28 -1.26 -4.73 120.64 131.87 2ayy n GLU 737 Ca 0.34 -2.45 0.00 0.00 -0.16 0.00 0.00 57.16 54.90 2ayy n GLU 737 Cb 0.49 -1.55 0.00 0.00 1.43 0.00 0.00 31.44 31.81 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ayy n GLY 738 N 0.49 0.83 0.00 -1.84 0.00 -1.26 -5.15 105.19 98.25 2ayy n GLY 738 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 2.26 -3.47 1.61 3.00 -1.26 -5.09 117.38 114.43 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 -0.08 0.00 0.00 0.00 0.00 30.24 30.16 2ayy n GLN 739 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2ayy s GLU 740 N 0.24 4.18 -0.06 -1.09 2.02 -1.26 -5.05 118.70 117.68 2ayy s GLU 740 Ca 0.00 0.11 -0.30 0.00 0.02 0.00 0.00 54.97 54.80 2ayy s GLU 740 Cb 0.00 -3.51 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 2ayy s GLU 740 CO 0.00 0.05 1.33 -2.14 0.02 0.00 0.00 175.26 174.52 2ayy s PRO 741 N 1.05 4.28 -0.02 0.39 0.02 -1.26 -5.03 135.00 134.42 2ayy s PRO 741 Ca 0.17 1.83 -0.14 0.00 0.02 0.00 0.00 61.00 62.87 2ayy s PRO 741 Cb -0.14 -3.66 -0.05 0.00 0.02 0.00 0.00 34.50 30.67 2ayy s PRO 741 CO 0.06 -0.60 0.39 0.99 -0.33 0.00 0.00 177.00 177.52 2ayy s THR 742 N 2.78 5.08 -1.85 0.99 2.01 -1.26 -4.63 115.64 118.76 2ayy s THR 742 Ca 0.60 0.79 0.07 0.00 0.31 0.00 0.00 61.69 63.46 2ayy s THR 742 Cb -0.27 -3.69 0.18 0.00 0.01 0.00 0.00 72.50 68.73 2ayy s THR 742 CO 0.22 0.56 0.94 -0.81 -0.69 0.00 0.00 174.62 174.84 2ayy n PRO 743 N 2.05 0.19 0.00 4.92 -0.04 -1.26 -0.79 135.00 140.07 2ayy n PRO 743 Ca -0.14 0.06 0.03 0.00 -0.04 0.00 0.00 63.50 63.41 2ayy n PRO 743 Cb 0.52 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.50 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 -1.07 1.01 -4.12 0.54 -0.58 -1.26 -2.73 120.64 112.43 2ayy n GLU 744 Ca 0.05 -0.66 -0.23 0.00 -0.42 0.00 0.00 57.16 55.89 2ayy n GLU 744 Cb 0.03 -1.03 -0.05 0.00 -0.57 0.00 0.00 31.44 29.82 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 -0.71 5.43 0.07 1.62 1.01 0.03 -4.74 116.67 119.38 2ayy s ASP 745 Ca 0.06 -0.25 0.08 0.00 0.71 0.00 0.00 52.55 53.14 2ayy s ASP 745 Cb 0.05 -1.36 -0.04 0.00 1.01 0.00 0.00 42.92 42.58 2ayy s ASP 745 CO 0.10 -0.00 -0.17 0.68 0.21 0.00 0.00 175.17 175.99 2ayy s VAL 746 N -2.03 2.92 -0.78 -1.27 -7.23 -1.24 -1.27 120.40 109.49 2ayy s VAL 746 Ca 0.32 -1.29 -0.08 0.00 -1.81 0.00 0.00 61.98 59.12 2ayy s VAL 746 Cb -0.08 -2.28 0.20 0.00 0.56 0.00 0.00 36.38 34.77 2ayy s VAL 746 CO 0.24 0.23 0.68 -0.22 -0.31 0.00 0.00 175.10 175.72 2ayy s LEU 747 N -1.77 6.04 -0.53 1.32 0.20 0.11 -0.76 118.68 123.29 2ayy s LEU 747 Ca 0.17 -2.94 -0.28 0.00 0.69 0.00 0.00 54.13 51.77 2ayy s LEU 747 Cb -0.11 -2.05 0.03 0.00 -0.43 0.00 0.00 46.19 43.64 2ayy s LEU 747 CO 0.08 -0.43 1.14 -0.63 -0.29 0.00 0.00 176.35 176.22 2ayy s ILE 748 N -0.20 4.14 0.22 6.68 1.01 0.02 -0.77 121.20 132.29 2ayy s ILE 748 Ca 0.20 0.97 0.10 0.00 0.00 0.00 0.00 60.65 61.92 2ayy s ILE 748 Cb -0.14 -4.65 -0.04 0.00 0.01 0.00 0.00 42.46 37.64 2ayy s ILE 748 CO -0.07 -1.18 -0.15 0.42 0.00 0.00 0.00 174.94 173.96 2ayy s THR 749 N 4.63 2.82 -0.00 2.92 -4.23 0.02 -0.59 115.64 121.22 2ayy s THR 749 Ca 0.44 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 59.00 2ayy s THR 749 Cb -0.08 -2.42 -0.01 0.00 1.34 0.00 0.00 72.50 71.34 2ayy s THR 749 CO 0.27 -0.21 -0.08 -0.62 -0.54 0.00 0.00 174.62 173.45 2ayy s ASP 750 N -3.04 0.93 0.26 3.99 2.15 -1.07 -0.80 116.67 119.09 2ayy s ASP 750 Ca 0.26 -0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.06 2ayy s ASP 750 Cb -0.07 -0.09 0.00 0.00 -0.30 0.00 0.00 42.92 42.45 2ayy s ASP 750 CO 0.14 0.07 0.00 -0.62 -0.17 0.00 0.00 175.17 174.60 2ayy n GLU 751 N 2.77 -0.90 -2.87 4.34 -0.58 -0.91 -4.36 120.64 118.13 2ayy n GLU 751 Ca -0.14 0.59 -0.44 0.00 -0.42 0.00 0.00 57.16 56.76 2ayy n GLU 751 Cb 0.57 -1.09 -0.01 0.00 -0.57 0.00 0.00 31.44 30.33 2ayy n GLU 751 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ayy s VAL 752 N -1.03 4.71 -0.12 2.62 1.01 -1.26 -4.75 120.40 121.57 2ayy s VAL 752 Ca 0.00 -1.94 0.14 0.00 0.00 0.00 0.00 61.98 60.18 2ayy s VAL 752 Cb 0.00 -4.90 0.03 0.00 0.00 0.00 0.00 36.38 31.51 2ayy s VAL 752 CO 0.00 -1.64 1.42 0.58 0.00 0.00 0.00 175.10 175.46 2ayy h VAL 753 N 5.45 0.97 -5.93 2.92 2.07 -1.95 -3.48 116.25 116.30 2ayy h VAL 753 Ca 0.25 -2.38 -0.39 0.00 0.82 0.00 0.00 66.70 65.00 2ayy h VAL 753 Cb 0.95 2.48 0.09 0.00 -1.52 0.00 0.00 31.29 33.29 2ayy h VAL 753 CO 1.22 0.55 -0.80 -1.20 0.02 0.00 0.00 177.57 177.37 2ayy n SER 754 N -3.24 -1.90 -4.42 0.57 7.64 -1.26 -5.02 113.62 106.00 2ayy n SER 754 Ca 0.02 -0.73 -0.21 0.00 1.01 0.00 0.00 58.87 58.95 2ayy n SER 754 Cb 0.76 -4.47 -0.10 0.00 -1.01 0.00 0.00 64.21 59.39 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 -5.81 1.52 0.44 1.43 3.01 -1.26 -4.98 119.74 114.09 2ayy s LYS 755 Ca 0.06 -1.74 0.07 0.00 -1.01 0.00 0.00 55.97 53.35 2ayy s LYS 755 Cb -0.03 -1.20 -0.02 0.00 -1.01 0.00 0.00 37.83 35.56 2ayy s LYS 755 CO 0.78 0.09 0.27 0.15 0.51 0.00 0.00 175.35 177.15 2ayy s LYS 756 N -3.69 2.31 0.00 1.68 -0.14 -1.26 -4.54 119.74 114.10 2ayy s LYS 756 Ca 0.28 -1.82 -0.07 0.00 -1.36 0.00 0.00 55.97 52.99 2ayy s LYS 756 Cb 0.02 -2.09 0.00 0.00 -1.68 0.00 0.00 37.83 34.08 2ayy s LYS 756 CO 0.11 -0.25 0.14 -0.46 -0.76 0.00 0.00 175.35 174.13 2ayy s TRP 757 N -2.61 0.03 -0.40 3.18 -0.11 -1.26 -5.05 118.94 112.73 2ayy s TRP 757 Ca 0.40 -0.11 0.08 0.00 1.22 0.00 0.00 56.10 57.68 2ayy s TRP 757 Cb 0.01 -0.04 0.25 0.00 -1.50 0.00 0.00 33.47 32.18 2ayy s TRP 757 CO 0.23 -0.28 0.54 0.94 -4.62 0.00 0.00 176.95 173.76 2ayy n GLN 758 N 1.51 0.71 0.00 5.86 -0.06 -1.26 -5.07 117.38 119.07 2ayy n GLN 758 Ca -0.22 -3.12 0.00 0.00 -2.00 0.00 0.00 57.00 51.66 2ayy n GLN 758 Cb 0.56 -1.23 0.00 0.00 -4.06 0.00 0.00 30.24 25.51 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2ayy n GLY 759 N 1.44 5.04 0.23 1.69 0.00 -1.26 -4.10 105.19 108.23 2ayy n GLY 759 Ca 0.20 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.47 -2.28 1.61 9.65 -0.98 -3.44 114.38 118.48 2ayy h ARG 760 Ca 0.00 0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.90 2ayy h ARG 760 Cb 0.00 0.11 -0.17 0.00 -1.39 0.00 0.00 29.97 28.52 2ayy h ARG 760 CO 0.00 -0.24 0.28 0.00 2.80 0.00 0.00 179.97 182.81 2ayy s ALA 761 N -3.93 -1.75 -0.18 2.80 0.00 -1.22 -4.76 121.76 112.71 2ayy s ALA 761 Ca -0.09 1.07 0.01 0.00 0.00 0.00 0.00 51.96 52.95 2ayy s ALA 761 Cb 0.01 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.38 2ayy s ALA 761 CO 0.30 -0.52 -0.14 0.54 0.00 0.00 0.00 175.76 175.94 2ayy s VAL 762 N -2.20 1.77 -0.61 0.00 0.11 -0.53 -0.71 120.40 118.23 2ayy s VAL 762 Ca -0.04 -0.94 -0.14 0.00 -2.93 0.00 0.00 61.98 57.94 2ayy s VAL 762 Cb -0.00 -1.73 0.15 0.00 -1.53 0.00 0.00 36.38 33.27 2ayy s VAL 762 CO -0.01 0.33 0.54 -0.69 -3.33 0.00 0.00 175.10 171.94 2ayy s VAL 763 N 1.37 5.06 -0.26 2.04 1.01 0.05 -0.35 120.40 129.31 2ayy s VAL 763 Ca 0.01 -1.89 -0.12 0.00 0.00 0.00 0.00 61.98 59.99 2ayy s VAL 763 Cb -0.15 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 2ayy s VAL 763 CO -0.10 -0.90 0.22 -0.89 0.00 0.00 0.00 175.10 173.44 2ayy s THR 764 N 1.09 5.30 -0.72 3.92 2.01 -0.09 -0.80 115.64 126.34 2ayy s THR 764 Ca 0.08 0.27 -0.16 0.00 0.31 0.00 0.00 61.69 62.19 2ayy s THR 764 Cb -0.23 -3.56 0.16 0.00 0.01 0.00 0.00 72.50 68.87 2ayy s THR 764 CO -0.01 0.26 0.74 -0.36 -0.69 0.00 0.00 174.62 174.56 2ayy s PHE 765 N 1.59 3.37 0.00 4.92 0.08 0.02 -1.24 117.98 126.73 2ayy s PHE 765 Ca 0.09 -1.50 0.00 0.00 0.12 0.00 0.00 56.93 55.64 2ayy s PHE 765 Cb -0.15 -3.93 0.00 0.00 -0.57 0.00 0.00 43.02 38.37 2ayy s PHE 765 CO 0.09 -1.14 0.00 0.00 -0.10 0.00 0.00 175.22 174.07 2ayy n ARG 767 N -0.38 3.91 -1.20 0.00 1.74 -1.26 -3.49 116.66 115.98 2ayy n ARG 767 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2ayy n ARG 767 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.35 2ayy n ARG 767 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2ayy n ARG 768 N 0.00 3.00 -3.84 5.56 1.74 -1.26 -4.81 116.66 117.05 2ayy n ARG 768 Ca 0.00 -1.74 -0.12 0.00 -0.77 0.00 0.00 57.85 55.22 2ayy n ARG 768 Cb 0.00 -2.45 -0.10 0.00 -1.02 0.00 0.00 32.46 28.89 2ayy n ARG 768 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2ayy s HIS 769 N 1.51 -0.04 0.28 -1.55 3.76 -1.26 -5.17 115.29 112.82 2ayy s HIS 769 Ca 0.68 0.03 0.11 0.00 -0.15 0.00 0.00 55.06 55.73 2ayy s HIS 769 Cb 0.24 0.00 -0.05 0.00 1.11 0.00 0.00 32.58 33.89 2ayy s HIS 769 CO -0.04 -0.30 -0.10 0.42 -0.85 0.00 0.00 174.74 173.87 2ayy s ILE 770 N -1.26 2.90 0.00 0.60 1.01 -1.26 -4.85 121.20 118.34 2ayy s ILE 770 Ca -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 60.65 58.36 2ayy s ILE 770 Cb -0.07 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.83 2ayy s ILE 770 CO 0.02 -0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.20 2ayy n GLY 771 N -0.77 1.13 3.87 6.18 0.00 -1.26 -5.05 105.19 109.30 2ayy n GLY 771 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.74 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 4.77 -0.83 -0.61 1.01 -1.26 -4.58 121.20 119.70 2ayy s ILE 772 Ca 0.00 -1.15 -0.33 0.00 0.00 0.00 0.00 60.65 59.18 2ayy s ILE 772 Cb 0.00 -3.54 -0.19 0.00 0.01 0.00 0.00 42.46 38.74 2ayy s ILE 772 CO 0.00 -0.27 2.55 -2.65 0.00 0.00 0.00 174.94 174.58 2ayy n PRO 773 N -1.00 0.18 -1.37 2.79 -0.02 -1.26 -4.80 135.00 129.52 2ayy n PRO 773 Ca -0.08 0.02 -0.25 0.00 -2.02 0.00 0.00 63.50 61.16 2ayy n PRO 773 Cb 0.57 -1.78 -0.03 0.00 -0.02 0.00 0.00 33.50 32.23 2ayy n PRO 773 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 2ayy n LEU 774 N 10.64 6.53 0.00 2.45 7.94 -1.26 -4.44 117.00 138.85 2ayy n LEU 774 Ca 0.60 -3.93 0.00 0.00 -1.11 0.00 0.00 56.01 51.57 2ayy n LEU 774 Cb 0.09 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 42.85 2ayy n LEU 774 CO 0.89 1.62 0.00 1.21 -1.11 0.00 0.00 177.39 180.00 2ayy n GLU 775 N 0.69 0.00 -1.55 1.96 2.13 -1.26 -4.72 120.64 117.89 2ayy n GLU 775 Ca 0.45 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 58.09 2ayy n GLU 775 Cb 0.55 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.18 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 -1.41 -3.64 5.31 5.02 -1.26 -4.74 118.16 131.43 2ayy n LYS 776 Ca 0.00 1.16 -0.06 0.00 -2.02 0.00 0.00 58.31 57.39 2ayy n LYS 776 Cb 0.00 -5.51 -0.07 0.00 -0.02 0.00 0.00 35.03 29.43 2ayy n LYS 776 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ayy s ALA 777 N -2.65 -2.12 -0.71 7.82 0.00 -1.26 -5.09 121.76 117.75 2ayy s ALA 777 Ca 0.00 1.87 -0.26 0.00 0.00 0.00 0.00 51.96 53.57 2ayy s ALA 777 Cb 0.00 -1.60 -0.10 0.00 0.00 0.00 0.00 23.12 21.42 2ayy s ALA 777 CO 0.00 -0.21 2.32 -2.14 0.00 0.00 0.00 175.76 175.72 2ayy s PRO 778 N 0.36 1.92 0.00 0.00 0.02 -1.26 -2.08 135.00 133.96 2ayy s PRO 778 Ca 0.02 0.67 0.00 0.00 0.02 0.00 0.00 61.00 61.71 2ayy s PRO 778 Cb -0.05 -4.73 0.00 0.00 0.02 0.00 0.00 34.50 29.74 2ayy s PRO 778 CO -0.10 -3.88 0.00 0.41 -0.33 0.00 0.00 177.00 173.10 2ayy n GLY 779 N 6.51 0.93 3.64 0.52 0.00 -1.26 -5.09 105.19 110.44 2ayy n GLY 779 Ca 0.41 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 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 2.52 -0.06 1.61 -1.05 -0.88 -1.46 118.70 119.39 2ayy s GLU 780 Ca 0.00 -0.79 0.02 0.00 -0.15 0.00 0.00 54.97 54.04 2ayy s GLU 780 Cb 0.00 -2.51 0.02 0.00 -0.44 0.00 0.00 34.13 31.20 2ayy s GLU 780 CO 0.00 0.57 -0.09 -1.58 0.95 0.00 0.00 175.26 175.11 2ayy s TRP 781 N -1.16 1.14 -0.13 4.83 0.52 0.53 -4.25 118.94 120.42 2ayy s TRP 781 Ca 0.21 -0.39 0.01 0.00 0.02 0.00 0.00 56.10 55.95 2ayy s TRP 781 Cb -0.11 -0.89 0.02 0.00 -1.15 0.00 0.00 33.47 31.33 2ayy s TRP 781 CO 0.13 -0.24 -0.16 0.54 0.02 0.00 0.00 176.95 177.24 2ayy s VAL 782 N 0.80 1.62 0.28 4.03 0.11 -1.26 -0.91 120.40 125.06 2ayy s VAL 782 Ca -0.13 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.25 2ayy s VAL 782 Cb -0.15 -1.49 -0.03 0.00 -1.53 0.00 0.00 36.38 33.19 2ayy s VAL 782 CO 0.02 0.47 0.26 -2.28 -3.33 0.00 0.00 175.10 170.23 2ayy s HIS 783 N 1.18 1.37 0.32 1.54 2.46 -0.37 -4.92 115.29 116.87 2ayy s HIS 783 Ca -0.02 -1.46 -0.09 0.00 0.47 0.00 0.00 55.06 53.96 2ayy s HIS 783 Cb -0.14 -0.53 -0.06 0.00 -0.13 0.00 0.00 32.58 31.71 2ayy s HIS 783 CO -0.06 -0.82 0.65 -1.54 -2.47 0.00 0.00 174.74 170.50 2ayy s SER 784 N -3.26 6.54 -0.41 9.88 1.04 -1.26 -0.64 113.70 125.60 2ayy s SER 784 Ca 0.38 0.96 0.03 0.00 0.48 0.00 0.00 55.95 57.80 2ayy s SER 784 Cb 0.04 -2.25 0.55 0.00 0.10 0.00 0.00 66.02 64.46 2ayy s SER 784 CO 0.20 -0.24 1.82 1.33 0.98 0.00 0.00 173.24 177.32 2ayy n VAL 785 N -0.84 2.95 -0.09 5.02 0.24 -1.23 -4.48 118.33 119.90 2ayy n VAL 785 Ca 0.01 -1.75 -0.23 0.00 -2.04 0.00 0.00 64.34 60.33 2ayy n VAL 785 Cb 0.54 -0.63 -0.12 0.00 -1.47 0.00 0.00 33.84 32.16 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ayy n ALA 786 N -0.87 1.08 -3.87 2.33 0.00 -1.26 -4.79 120.51 113.13 2ayy n ALA 786 Ca 0.51 -0.83 -0.34 0.00 0.00 0.00 0.00 53.44 52.79 2ayy n ALA 786 Cb 1.40 -0.29 -0.13 0.00 0.00 0.00 0.00 19.45 20.43 2ayy n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayy s ALA 787 N -2.49 3.15 -0.74 0.00 0.00 -1.26 -4.93 121.76 115.48 2ayy s ALA 787 Ca -0.31 -2.73 0.12 0.00 0.00 0.00 0.00 51.96 49.04 2ayy s ALA 787 Cb 0.09 -2.27 0.58 0.00 0.00 0.00 0.00 23.12 21.52 2ayy s ALA 787 CO 0.61 -1.83 1.38 -0.35 0.00 0.00 0.00 175.76 175.57 2ayy n PRO 788 N 4.15 0.06 -0.34 0.00 -0.04 -1.26 -2.52 135.00 135.06 2ayy n PRO 788 Ca 0.02 0.45 0.05 0.00 -0.04 0.00 0.00 63.50 63.98 2ayy n PRO 788 Cb 0.40 -1.66 0.23 0.00 -0.04 0.00 0.00 33.50 32.42 2ayy n PRO 788 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2ayy h HIS 789 N 0.00 1.11 -0.52 0.54 -0.00 -2.01 -1.90 115.15 112.37 2ayy h HIS 789 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2ayy h HIS 789 Cb 0.13 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 27.18 2ayy h HIS 789 CO 0.00 0.54 0.00 -0.85 -0.00 0.00 0.00 177.93 177.62 2ayy n GLU 790 N -4.52 2.57 0.18 5.26 0.28 -1.05 -4.30 120.64 119.06 2ayy n GLU 790 Ca 0.15 -2.41 -0.08 0.00 -0.16 0.00 0.00 57.16 54.67 2ayy n GLU 790 Cb 0.24 -1.54 -0.04 0.00 1.43 0.00 0.00 31.44 31.54 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 4.38 -0.42 -1.12 -1.84 5.85 -1.44 -0.57 115.31 120.15 2ayy h LEU 791 Ca 0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2ayy h LEU 791 Cb 0.98 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 2ayy h LEU 791 CO 0.00 -0.14 -0.14 -0.65 -0.34 0.00 0.00 178.44 177.16 2ayy h PRO 792 N -0.81 0.00 -0.13 5.25 0.11 -1.80 -2.68 132.00 131.93 2ayy h PRO 792 Ca -0.05 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.91 2ayy h PRO 792 Cb 0.38 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 2ayy h PRO 792 CO 0.08 0.14 -0.54 0.00 -0.21 0.00 0.00 178.00 177.47 2ayy h ALA 793 N 1.86 0.81 -0.19 -0.75 0.00 -1.75 -0.11 119.26 119.13 2ayy h ALA 793 Ca -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2ayy h ALA 793 Cb 0.71 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2ayy h ALA 793 CO 0.02 0.69 -0.02 1.25 0.00 0.00 0.00 179.25 181.19 2ayy h LEU 794 N 0.31 0.35 -1.58 0.00 5.85 -0.77 -2.54 115.31 116.93 2ayy h LEU 794 Ca 0.01 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.40 2ayy h LEU 794 Cb 1.05 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 2ayy h LEU 794 CO 0.09 0.60 0.28 -0.07 -0.34 0.00 0.00 178.44 179.00 2ayy h LEU 795 N 0.09 0.49 0.30 2.25 3.38 -1.37 -2.36 115.31 118.09 2ayy h LEU 795 Ca 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2ayy h LEU 795 Cb 0.43 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2ayy h LEU 795 CO 0.01 0.35 -0.15 0.00 0.09 0.00 0.00 178.44 178.75 2ayy h ALA 796 N 1.73 -0.41 0.00 1.53 0.00 -0.78 -1.93 119.26 119.41 2ayy h ALA 796 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ayy h ALA 796 Cb -0.07 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ayy h ALA 796 CO -0.03 -0.68 -0.06 0.07 0.00 0.00 0.00 179.25 178.54 2ayy h ARG 797 N -0.50 0.00 -0.46 0.00 0.11 -1.23 0.38 114.38 112.68 2ayy h ARG 797 Ca -0.04 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.91 2ayy h ARG 797 Cb 0.38 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.44 2ayy h ARG 797 CO 0.07 0.06 -0.20 0.82 0.10 0.00 0.00 179.97 180.82 2ayy h ILE 798 N 0.00 1.27 -0.40 0.08 2.04 -1.14 -2.80 117.51 116.56 2ayy h ILE 798 Ca -0.00 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.51 2ayy h ILE 798 Cb 0.43 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2ayy h ILE 798 CO 0.01 0.46 0.00 -1.22 0.00 0.00 0.00 178.15 177.40 2ayy n TYR 799 N -4.11 0.73 -2.31 1.37 4.01 -0.25 -4.89 117.16 111.71 2ayy n TYR 799 Ca 0.00 -0.32 -0.10 0.00 -0.16 0.00 0.00 57.90 57.33 2ayy n TYR 799 Cb 0.44 -0.09 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 2ayy n TYR 799 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2ayy n LEU 800 N 0.63 -1.62 -4.85 7.72 4.32 -0.58 -5.02 117.00 117.60 2ayy n LEU 800 Ca 0.15 -0.04 -0.38 0.00 -0.02 0.00 0.00 56.01 55.71 2ayy n LEU 800 Cb 0.47 -1.65 -0.06 0.00 -1.62 0.00 0.00 43.42 40.56 2ayy n LEU 800 CO 0.12 -0.04 0.02 -0.63 -1.22 0.00 0.00 177.39 175.64 2ayy s ILE 801 N -2.59 5.17 0.16 -0.08 1.01 0.12 -4.96 121.20 120.04 2ayy s ILE 801 Ca 0.04 0.64 0.23 0.00 0.00 0.00 0.00 60.65 61.57 2ayy s ILE 801 Cb -0.02 -3.62 0.22 0.00 0.01 0.00 0.00 42.46 39.06 2ayy s ILE 801 CO 0.05 0.59 1.83 -0.33 0.00 0.00 0.00 174.94 177.08 2ayy h GLU 802 N 4.76 0.00 -3.83 2.79 3.07 -1.95 -3.28 114.58 116.13 2ayy h GLU 802 Ca -0.53 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 57.74 2ayy h GLU 802 Cb 1.22 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.15 2ayy h GLU 802 CO 0.60 0.24 2.86 -0.12 -1.40 0.00 0.00 179.01 181.19 2ayy n MET 803 N -3.44 2.36 -2.27 2.33 1.56 -1.26 -4.86 117.12 111.54 2ayy n MET 803 Ca -0.00 -1.99 -0.08 0.00 -0.27 0.00 0.00 57.70 55.36 2ayy n MET 803 Cb 0.42 -2.87 -0.00 0.00 2.15 0.00 0.00 33.22 32.93 2ayy n MET 803 CO 0.00 0.00 0.00 -0.85 -0.73 0.00 0.00 175.97 174.39 2ayy n GLU 804 N 5.46 1.26 -3.36 2.12 -0.00 -1.26 -4.49 120.64 120.37 2ayy n GLU 804 Ca 0.54 -1.09 -0.11 0.00 -0.00 0.00 0.00 57.16 56.50 2ayy n GLU 804 Cb 0.30 0.13 -0.08 0.00 -0.00 0.00 0.00 31.44 31.79 2ayy n GLU 804 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.13 176.01 2ayy s SER 805 N -2.01 0.47 0.27 -1.84 0.01 -1.26 -4.96 113.70 104.38 2ayy s SER 805 Ca 0.09 0.03 0.06 0.00 1.31 0.00 0.00 55.95 57.44 2ayy s SER 805 Cb -0.01 1.00 -0.02 0.00 0.21 0.00 0.00 66.02 67.20 2ayy s SER 805 CO 0.06 -0.32 0.39 -0.62 0.41 0.00 0.00 173.24 173.16 2ayy s ASP 806 N 2.51 6.17 -0.41 2.44 -1.08 -1.26 -4.82 116.67 120.22 2ayy s ASP 806 Ca 0.11 -0.03 0.01 0.00 -0.52 0.00 0.00 52.55 52.13 2ayy s ASP 806 Cb -0.15 -1.63 0.13 0.00 -1.46 0.00 0.00 42.92 39.81 2ayy s ASP 806 CO -0.19 -0.19 0.21 -0.62 0.52 0.00 0.00 175.17 174.90 2ayy s ASP 807 N -4.04 3.70 -1.42 -0.34 2.15 -1.26 -5.03 116.67 110.43 2ayy s ASP 807 Ca 0.38 -2.40 -0.08 0.00 0.43 0.00 0.00 52.55 50.88 2ayy s ASP 807 Cb -0.09 -0.97 0.06 0.00 -0.30 0.00 0.00 42.92 41.62 2ayy s ASP 807 CO 0.30 -0.30 2.47 -0.81 -0.17 0.00 0.00 175.17 176.66 2ayy n PRO 808 N 3.84 4.06 -3.71 4.34 -0.04 -1.26 -4.89 135.00 137.34 2ayy n PRO 808 Ca 0.07 -3.03 -0.38 0.00 -0.04 0.00 0.00 63.50 60.12 2ayy n PRO 808 Cb 0.36 -2.77 -0.12 0.00 -0.04 0.00 0.00 33.50 30.93 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ayy s ALA 809 N 0.39 3.10 -0.09 0.55 0.00 -1.26 -5.08 121.76 119.38 2ayy s ALA 809 Ca 0.56 -1.78 -0.20 0.00 0.00 0.00 0.00 51.96 50.54 2ayy s ALA 809 Cb 0.17 -2.36 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 2ayy s ALA 809 CO -0.07 -1.38 0.56 1.21 0.00 0.00 0.00 175.76 176.08 2ayy s ASN 810 N 1.48 6.81 -0.16 0.00 2.47 -1.26 -5.06 114.94 119.23 2ayy s ASN 810 Ca -0.01 0.97 -0.10 0.00 0.42 0.00 0.00 52.86 54.15 2ayy s ASN 810 Cb -0.20 -2.33 -0.05 0.00 -1.45 0.00 0.00 41.25 37.22 2ayy s ASN 810 CO 0.03 -0.01 0.18 0.00 -3.72 0.00 0.00 177.10 173.58 2ayy s ALA 811 N 0.54 3.74 -0.38 1.71 0.00 -1.26 -5.07 121.76 121.03 2ayy s ALA 811 Ca 0.30 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.64 2ayy s ALA 811 Cb -0.16 -2.15 0.10 0.00 0.00 0.00 0.00 23.12 20.91 2ayy s ALA 811 CO 0.13 0.31 0.14 -1.17 0.00 0.00 0.00 175.76 175.18 2ayy s LEU 812 N -0.15 5.00 -0.51 0.00 2.96 -1.26 -5.07 118.68 119.65 2ayy s LEU 812 Ca 0.13 -2.01 -0.21 0.00 -0.22 0.00 0.00 54.13 51.82 2ayy s LEU 812 Cb -0.12 -1.76 0.05 0.00 0.50 0.00 0.00 46.19 44.86 2ayy s LEU 812 CO 0.02 -0.47 0.71 -2.16 -1.32 0.00 0.00 176.35 173.12 2ayy s PRO 813 N 1.08 3.19 -0.76 0.98 0.04 -1.26 -4.98 135.00 133.28 2ayy s PRO 813 Ca 0.08 -0.69 0.03 0.00 0.04 0.00 0.00 61.00 60.46 2ayy s PRO 813 Cb -0.21 -4.07 0.22 0.00 0.04 0.00 0.00 34.50 30.47 2ayy s PRO 813 CO -0.05 -1.27 0.74 0.43 0.04 0.00 0.00 177.00 176.89 2ayy n SER 814 N 6.50 3.87 0.01 6.66 7.64 -1.26 -4.89 113.62 132.15 2ayy n SER 814 Ca -0.04 -3.29 -0.12 0.00 1.01 0.00 0.00 58.87 56.42 2ayy n SER 814 Cb 0.46 -0.84 -0.10 0.00 -1.01 0.00 0.00 64.21 62.72 2ayy n SER 814 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2ayy h THR 815 N 3.80 1.24 0.00 0.44 1.35 -2.07 -3.58 112.91 114.09 2ayy h THR 815 Ca 0.17 -1.31 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 2ayy h THR 815 Cb 0.72 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.20 2ayy h THR 815 CO 0.85 0.31 0.00 -0.67 -0.25 0.00 0.00 175.52 175.76