#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 -0.34 3.08 -5.12 0.00 -1.26 -5.14 105.19 96.42 2ayy n GLY 697 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 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 0.59 -0.36 -0.02 0.00 -1.26 -5.11 107.32 101.17 2ayy s GLY 698 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2ayy s GLY 698 CO 0.00 -0.74 0.15 -0.56 0.00 0.00 0.00 173.10 171.95 2ayy s SER 699 N -1.25 3.84 0.98 1.64 0.01 -1.26 -5.13 113.70 112.54 2ayy s SER 699 Ca -0.04 -2.04 -0.12 0.00 1.31 0.00 0.00 55.95 55.06 2ayy s SER 699 Cb -0.08 -0.91 0.18 0.00 0.21 0.00 0.00 66.02 65.42 2ayy s SER 699 CO 0.01 -0.36 1.09 -0.83 0.41 0.00 0.00 173.24 173.57 2ayy s GLY 700 N 1.12 1.57 0.53 3.44 0.00 -1.26 -5.02 107.32 107.70 2ayy s GLY 700 Ca 0.13 -0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.36 2ayy s GLY 700 CO -0.14 0.27 1.01 0.54 0.00 0.00 0.00 173.10 174.79 2ayy s VAL 701 N -2.97 4.17 0.40 1.40 0.11 -1.26 -5.07 120.40 117.18 2ayy s VAL 701 Ca 0.65 1.11 -0.07 0.00 -2.93 0.00 0.00 61.98 60.74 2ayy s VAL 701 Cb -0.18 -3.56 0.09 0.00 -1.53 0.00 0.00 36.38 31.21 2ayy s VAL 701 CO 0.57 -0.53 0.51 -0.62 -3.33 0.00 0.00 175.10 171.71 2ayy n GLU 702 N -1.56 -0.70 -3.93 1.54 -0.58 -1.26 -5.05 120.64 109.10 2ayy n GLU 702 Ca 0.08 -0.80 -0.35 0.00 -0.42 0.00 0.00 57.16 55.67 2ayy n GLU 702 Cb 0.53 -0.56 -0.14 0.00 -0.57 0.00 0.00 31.44 30.71 2ayy n GLU 702 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2ayy s GLY 703 N -4.03 1.70 0.07 0.62 0.00 -1.26 -5.10 107.32 99.32 2ayy s GLY 703 Ca 0.30 -1.62 -0.11 0.00 0.00 0.00 0.00 44.72 43.29 2ayy s GLY 703 CO 0.21 0.61 0.40 1.08 0.00 0.00 0.00 173.10 175.41 2ayy s LEU 704 N 1.29 4.37 0.36 0.66 2.01 -1.26 -5.09 118.68 121.02 2ayy s LEU 704 Ca -0.03 0.82 -0.10 0.00 0.01 0.00 0.00 54.13 54.82 2ayy s LEU 704 Cb -0.18 -2.92 -0.07 0.00 0.01 0.00 0.00 46.19 43.03 2ayy s LEU 704 CO -0.02 0.19 0.72 -0.94 1.01 0.00 0.00 176.35 177.31 2ayy s SER 705 N -1.66 6.57 0.00 2.29 1.04 -1.26 -5.10 113.70 115.58 2ayy s SER 705 Ca 0.32 1.09 0.00 0.00 0.48 0.00 0.00 55.95 57.83 2ayy s SER 705 Cb -0.14 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.68 2ayy s SER 705 CO 0.17 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.69 2ayy n GLY 706 N -0.99 1.23 3.76 7.32 0.00 -1.26 -5.01 105.19 110.23 2ayy n GLY 706 Ca 0.02 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.08 2ayy n GLY 706 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ayy s LYS 707 N 1.42 3.43 0.02 1.61 1.02 -1.26 -4.84 119.74 121.14 2ayy s LYS 707 Ca 0.00 2.33 0.07 0.00 0.02 0.00 0.00 55.97 58.39 2ayy s LYS 707 Cb 0.00 -2.47 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 2ayy s LYS 707 CO 0.00 -0.99 -0.20 0.50 -0.92 0.00 0.00 175.35 173.74 2ayy s ARG 708 N -2.67 1.42 -0.03 1.68 3.00 -1.26 -0.77 118.95 120.32 2ayy s ARG 708 Ca 0.66 -0.82 -0.05 0.00 -1.00 0.00 0.00 55.73 54.51 2ayy s ARG 708 Cb -0.42 -1.46 0.01 0.00 0.00 0.00 0.00 34.95 33.08 2ayy s ARG 708 CO 0.52 0.38 0.12 0.00 0.00 0.00 0.00 175.30 176.33 2ayy s TRP 710 N -0.58 3.43 -0.29 0.00 0.52 -0.00 -0.80 118.94 121.22 2ayy s TRP 710 Ca -0.07 0.34 -0.01 0.00 0.02 0.00 0.00 56.10 56.39 2ayy s TRP 710 Cb -0.04 -2.12 0.05 0.00 -1.15 0.00 0.00 33.47 30.22 2ayy s TRP 710 CO 0.01 0.36 -0.02 -1.17 0.02 0.00 0.00 176.95 176.14 2ayy s LEU 711 N 0.13 3.85 -0.48 2.99 2.96 0.02 -0.96 118.68 127.19 2ayy s LEU 711 Ca 0.09 -1.33 0.04 0.00 -0.22 0.00 0.00 54.13 52.72 2ayy s LEU 711 Cb -0.11 -1.68 0.41 0.00 0.50 0.00 0.00 46.19 45.31 2ayy s LEU 711 CO -0.01 -0.25 1.17 0.00 -1.32 0.00 0.00 176.35 175.94 2ayy n ALA 712 N 4.58 5.17 -2.67 5.97 0.00 0.36 -0.96 120.51 132.95 2ayy n ALA 712 Ca -0.13 -4.33 -0.38 0.00 0.00 0.00 0.00 53.44 48.60 2ayy n ALA 712 Cb 0.43 -0.66 -0.07 0.00 0.00 0.00 0.00 19.45 19.15 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 -5.47 5.19 -0.15 0.00 1.01 -1.23 -2.36 120.40 117.39 2ayy s VAL 713 Ca 0.48 0.73 0.19 0.00 0.00 0.00 0.00 61.98 63.39 2ayy s VAL 713 Cb 0.40 -3.74 0.17 0.00 0.00 0.00 0.00 36.38 33.21 2ayy s VAL 713 CO -0.20 0.25 1.58 0.03 0.00 0.00 0.00 175.10 176.76 2ayy h ARG 714 N 7.35 0.00 -5.87 2.72 2.47 -1.95 -3.38 114.38 115.72 2ayy h ARG 714 Ca -0.36 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.80 2ayy h ARG 714 Cb 1.16 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.40 2ayy h ARG 714 CO 0.72 0.32 1.65 1.21 0.56 0.00 0.00 179.97 184.42 2ayy s ASN 715 N -6.33 6.28 0.49 7.04 3.84 -1.26 -4.81 114.94 120.19 2ayy s ASN 715 Ca 0.04 -1.81 0.17 0.00 0.21 0.00 0.00 52.86 51.47 2ayy s ASN 715 Cb 0.08 -2.58 1.19 0.00 -0.55 0.00 0.00 41.25 39.39 2ayy s ASN 715 CO 0.70 -1.73 2.06 0.00 -2.79 0.00 0.00 177.10 175.34 2ayy h ALA 716 N 9.04 2.09 0.34 1.71 0.00 -1.98 0.41 119.26 130.86 2ayy h ALA 716 Ca 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 2ayy h ALA 716 Cb 0.94 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2ayy h ALA 716 CO 1.39 -0.16 -0.16 0.66 0.00 0.00 0.00 179.25 180.97 2ayy h SER 717 N 0.18 -0.39 -0.47 0.00 4.64 -1.95 -1.60 113.55 113.97 2ayy h SER 717 Ca 0.15 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2ayy h SER 717 Cb 0.37 0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2ayy h SER 717 CO -0.02 -0.10 0.27 0.25 -0.87 0.00 0.00 176.83 176.36 2ayy h LEU 718 N -0.68 0.57 -0.96 5.97 6.46 -1.67 -2.57 115.31 122.43 2ayy h LEU 718 Ca -0.05 -0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2ayy h LEU 718 Cb 0.48 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 2ayy h LEU 718 CO 0.08 0.47 0.50 0.00 -0.62 0.00 0.00 178.44 178.87 2ayy h GLN 720 N 1.24 0.56 -0.04 0.00 1.08 -1.09 -0.55 115.11 116.31 2ayy h GLN 720 Ca 0.32 -0.21 -0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2ayy h GLN 720 Cb -0.00 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.39 2ayy h GLN 720 CO -0.05 0.75 -0.02 0.74 -0.95 0.00 0.00 178.83 179.30 2ayy h PHE 721 N 0.50 0.09 -0.37 2.96 -1.00 -0.93 -2.26 116.94 115.93 2ayy h PHE 721 Ca 0.07 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.71 2ayy h PHE 721 Cb 0.66 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.19 2ayy h PHE 721 CO 0.03 0.46 -0.26 1.37 -1.61 0.00 0.00 178.31 178.30 2ayy h LEU 722 N -0.31 0.78 -0.70 1.54 8.10 -1.20 -2.35 115.31 121.18 2ayy h LEU 722 Ca 0.01 -0.29 -0.02 0.00 0.11 0.00 0.00 57.88 57.68 2ayy h LEU 722 Cb 0.43 -0.21 -0.03 0.00 -0.44 0.00 0.00 40.66 40.41 2ayy h LEU 722 CO 0.01 1.00 0.36 1.05 -4.11 0.00 0.00 178.44 176.75 2ayy h GLU 723 N 0.66 0.99 -0.47 0.17 4.11 -1.10 -1.63 114.58 117.32 2ayy h GLU 723 Ca 0.08 -0.13 -0.06 0.00 0.07 0.00 0.00 59.36 59.32 2ayy h GLU 723 Cb 0.78 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2ayy h GLU 723 CO 0.06 0.76 0.03 1.15 0.07 0.00 0.00 179.01 181.08 2ayy h THR 724 N 0.97 1.23 -0.39 -1.06 2.02 -1.23 -0.65 112.91 113.80 2ayy h THR 724 Ca 0.24 -0.93 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 2ayy h THR 724 Cb 0.08 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2ayy h THR 724 CO -0.03 0.33 -0.00 0.28 0.37 0.00 0.00 175.52 176.46 2ayy h SER 725 N 0.71 0.67 1.03 4.18 0.02 -0.84 -3.12 113.55 116.21 2ayy h SER 725 Ca 0.15 -0.31 -0.19 0.00 -0.84 0.00 0.00 61.79 60.59 2ayy h SER 725 Cb 0.40 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 2ayy h SER 725 CO 0.01 0.82 -1.00 0.17 -1.14 0.00 0.00 176.83 175.69 2ayy h LEU 726 N 0.51 0.00 -0.77 5.07 8.10 -1.17 -3.25 115.31 123.80 2ayy h LEU 726 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.10 2ayy h LEU 726 Cb 0.47 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.69 2ayy h LEU 726 CO 0.02 0.84 0.00 1.56 -4.11 0.00 0.00 178.44 176.75 2ayy h GLN 727 N 0.00 0.00 0.00 0.17 4.20 -1.09 -0.98 115.11 117.40 2ayy h GLN 727 Ca -0.06 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2ayy h GLN 727 Cb 1.69 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.47 2ayy h GLN 727 CO 0.10 0.00 -0.02 0.00 -0.67 0.00 0.00 178.83 178.24 2ayy h ARG 728 N 0.00 0.00 -0.05 1.46 3.08 -1.58 -1.60 114.38 115.69 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 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2ayy h ARG 728 CO 0.00 0.02 0.00 0.43 -1.07 0.00 0.00 179.97 179.35 2ayy n SER 729 N -3.39 0.91 0.00 7.04 7.64 -0.37 -4.86 113.62 120.59 2ayy n SER 729 Ca -0.02 -1.44 0.00 0.00 1.01 0.00 0.00 58.87 58.41 2ayy n SER 729 Cb 0.12 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 2ayy n SER 729 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ayy n GLY 730 N 1.04 0.73 3.84 0.23 0.00 -0.60 -5.00 105.19 105.43 2ayy n GLY 730 Ca 0.18 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 4.71 -0.08 -0.61 1.01 -1.25 -4.09 121.20 118.88 2ayy s ILE 731 Ca 0.00 0.97 0.02 0.00 0.00 0.00 0.00 60.65 61.64 2ayy s ILE 731 Cb 0.00 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2ayy s ILE 731 CO 0.00 0.02 -0.15 0.54 0.00 0.00 0.00 174.94 175.35 2ayy s VAL 732 N -1.74 2.98 0.12 2.92 0.11 0.05 -4.32 120.40 120.51 2ayy s VAL 732 Ca 0.47 -0.73 0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2ayy s VAL 732 Cb -0.13 -2.19 -0.04 0.00 -1.53 0.00 0.00 36.38 32.49 2ayy s VAL 732 CO 0.19 0.56 0.25 0.68 -3.33 0.00 0.00 175.10 173.45 2ayy s VAL 733 N -0.24 5.28 -0.04 2.04 -7.23 -1.26 -1.90 120.40 117.04 2ayy s VAL 733 Ca 0.01 -0.61 -0.01 0.00 -1.81 0.00 0.00 61.98 59.56 2ayy s VAL 733 Cb -0.13 -3.66 0.03 0.00 0.56 0.00 0.00 36.38 33.17 2ayy s VAL 733 CO 0.03 -0.01 0.04 -0.89 -0.31 0.00 0.00 175.10 173.96 2ayy s THR 734 N -1.65 -0.01 -0.11 5.32 2.01 0.02 -4.93 115.64 116.29 2ayy s THR 734 Ca 0.34 0.33 -0.33 0.00 0.31 0.00 0.00 61.69 62.35 2ayy s THR 734 Cb -0.12 -0.21 -0.10 0.00 0.01 0.00 0.00 72.50 72.08 2ayy s THR 734 CO 0.28 0.18 1.98 0.41 -0.69 0.00 0.00 174.62 176.78 2ayy n THR 735 N 5.06 0.55 -2.49 -0.82 -1.04 -1.26 -0.80 114.28 113.48 2ayy n THR 735 Ca -0.08 -0.18 -0.42 0.00 -2.04 0.00 0.00 64.05 61.33 2ayy n THR 735 Cb 0.50 -2.04 -0.00 0.00 -1.82 0.00 0.00 70.33 66.97 2ayy n THR 735 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2ayy n TYR 736 N 7.87 4.49 -3.58 -1.42 9.36 -0.13 -4.80 117.16 128.94 2ayy n TYR 736 Ca 0.25 -2.78 -0.31 0.00 3.32 0.00 0.00 57.90 58.38 2ayy n TYR 736 Cb 0.33 -2.63 -0.08 0.00 -0.63 0.00 0.00 39.34 36.33 2ayy n TYR 736 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2ayy n GLU 737 N 8.24 2.54 -2.35 2.98 -0.58 -1.26 -4.68 120.64 125.52 2ayy n GLU 737 Ca 0.49 -4.56 -0.05 0.00 -0.42 0.00 0.00 57.16 52.61 2ayy n GLU 737 Cb 0.46 -2.33 0.03 0.00 -0.57 0.00 0.00 31.44 29.02 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 1.58 0.20 3.78 0.62 0.00 -1.26 -5.07 105.19 105.04 2ayy n GLY 738 Ca 0.25 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.17 2.21 0.32 1.61 -1.52 -1.26 -5.12 119.66 111.73 2ayy s GLN 739 Ca 0.04 -2.05 -0.26 0.00 -1.95 0.00 0.00 55.36 51.14 2ayy s GLN 739 Cb -0.01 -1.87 -0.10 0.00 -0.22 0.00 0.00 33.01 30.81 2ayy s GLN 739 CO 0.24 -0.31 0.97 -1.21 -0.25 0.00 0.00 175.29 174.73 2ayy s GLU 740 N -3.98 4.55 -0.18 2.91 2.02 -1.26 -5.04 118.70 117.73 2ayy s GLU 740 Ca 0.30 1.41 -0.23 0.00 0.02 0.00 0.00 54.97 56.47 2ayy s GLU 740 Cb 0.02 -2.84 -0.02 0.00 0.10 0.00 0.00 34.13 31.39 2ayy s GLU 740 CO 0.17 0.23 0.73 -1.25 0.02 0.00 0.00 175.26 175.16 2ayy s PRO 741 N -1.99 4.27 -0.12 0.39 0.05 -1.26 -5.07 135.00 131.27 2ayy s PRO 741 Ca 0.50 0.83 -0.03 0.00 0.05 0.00 0.00 61.00 62.35 2ayy s PRO 741 Cb -0.21 -3.57 -0.03 0.00 0.05 0.00 0.00 34.50 30.74 2ayy s PRO 741 CO 0.26 -0.26 -0.02 0.95 0.05 0.00 0.00 177.00 177.98 2ayy s THR 742 N 1.96 4.05 0.17 1.26 -4.23 -1.25 -4.82 115.64 112.78 2ayy s THR 742 Ca 0.34 -0.32 0.35 0.00 -1.18 0.00 0.00 61.69 60.87 2ayy s THR 742 Cb -0.16 -2.73 0.37 0.00 1.34 0.00 0.00 72.50 71.31 2ayy s THR 742 CO 0.12 0.55 2.04 1.55 -0.54 0.00 0.00 174.62 178.33 2ayy h PRO 743 N 5.96 0.00 0.00 3.99 0.13 -1.85 -2.05 132.00 138.18 2ayy h PRO 743 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2ayy h PRO 743 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2ayy h PRO 743 CO 0.59 0.00 -1.15 0.39 -0.23 0.00 0.00 178.00 177.60 2ayy n GLU 744 N -2.87 0.19 -3.60 0.86 -0.58 -1.26 -2.11 120.64 111.27 2ayy n GLU 744 Ca -0.01 -0.04 -0.20 0.00 -0.42 0.00 0.00 57.16 56.50 2ayy n GLU 744 Cb 0.18 -1.53 -0.02 0.00 -0.57 0.00 0.00 31.44 29.51 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 -3.50 5.54 0.09 1.62 1.01 -0.77 -4.77 116.67 115.88 2ayy s ASP 745 Ca 0.04 -0.40 0.10 0.00 0.71 0.00 0.00 52.55 53.00 2ayy s ASP 745 Cb 0.15 -1.00 -0.04 0.00 1.01 0.00 0.00 42.92 43.05 2ayy s ASP 745 CO 0.85 -0.44 -0.25 0.68 0.21 0.00 0.00 175.17 176.21 2ayy s VAL 746 N -2.28 2.34 -0.42 -1.27 -7.23 -1.26 -1.12 120.40 109.16 2ayy s VAL 746 Ca 0.44 -1.54 -0.09 0.00 -1.81 0.00 0.00 61.98 58.98 2ayy s VAL 746 Cb -0.07 -2.00 0.09 0.00 0.56 0.00 0.00 36.38 34.96 2ayy s VAL 746 CO 0.29 0.21 0.27 -0.22 -0.31 0.00 0.00 175.10 175.34 2ayy s LEU 747 N -1.72 5.22 -0.49 1.32 0.20 -0.13 -0.82 118.68 122.26 2ayy s LEU 747 Ca 0.14 -1.58 -0.22 0.00 0.69 0.00 0.00 54.13 53.15 2ayy s LEU 747 Cb -0.10 -1.98 0.04 0.00 -0.43 0.00 0.00 46.19 43.72 2ayy s LEU 747 CO 0.05 -0.56 0.76 -0.63 -0.29 0.00 0.00 176.35 175.69 2ayy s ILE 748 N 1.40 4.67 0.26 6.68 1.01 -0.13 -0.76 121.20 134.32 2ayy s ILE 748 Ca 0.04 0.11 0.11 0.00 0.00 0.00 0.00 60.65 60.90 2ayy s ILE 748 Cb -0.23 -4.35 -0.05 0.00 0.01 0.00 0.00 42.46 37.84 2ayy s ILE 748 CO 0.01 -0.82 -0.13 0.42 0.00 0.00 0.00 174.94 174.42 2ayy s THR 749 N 3.22 2.86 -0.02 2.92 -4.23 0.31 -0.49 115.64 120.22 2ayy s THR 749 Ca 0.25 -2.13 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 2ayy s THR 749 Cb -0.14 -2.49 0.01 0.00 1.34 0.00 0.00 72.50 71.21 2ayy s THR 749 CO 0.18 -0.34 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.29 2ayy s ASP 750 N -3.42 0.43 0.88 3.99 2.15 -1.00 -2.29 116.67 117.42 2ayy s ASP 750 Ca 0.29 -0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.22 2ayy s ASP 750 Cb -0.06 -0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.42 2ayy s ASP 750 CO 0.16 -0.02 0.00 -0.62 -0.17 0.00 0.00 175.17 174.52 2ayy n GLU 751 N 3.52 0.00 -1.05 4.34 -0.58 -1.03 -4.13 120.64 121.71 2ayy n GLU 751 Ca -0.19 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.41 2ayy n GLU 751 Cb 0.55 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.30 2ayy n GLU 751 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2ayy n VAL 752 N 0.00 2.95 -2.22 2.62 3.14 -1.26 -4.61 118.33 118.95 2ayy n VAL 752 Ca 0.00 -1.73 -0.39 0.00 -2.96 0.00 0.00 64.34 59.26 2ayy n VAL 752 Cb 0.00 -1.82 0.01 0.00 -1.06 0.00 0.00 33.84 30.97 2ayy n VAL 752 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ayy n VAL 753 N 1.93 5.11 -2.48 1.55 0.24 -1.26 -4.94 118.33 118.48 2ayy n VAL 753 Ca 0.39 -4.95 -0.39 0.00 -2.04 0.00 0.00 64.34 57.35 2ayy n VAL 753 Cb 0.78 -1.61 -0.03 0.00 -1.47 0.00 0.00 33.84 31.51 2ayy n VAL 753 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2ayy s SER 754 N -0.72 6.34 0.00 -1.34 0.01 -1.26 -4.89 113.70 111.84 2ayy s SER 754 Ca 0.47 -1.52 -0.14 0.00 1.31 0.00 0.00 55.95 56.07 2ayy s SER 754 Cb 0.26 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.94 2ayy s SER 754 CO -0.19 -1.66 0.30 -1.59 0.41 0.00 0.00 173.24 170.51 2ayy s LYS 755 N 5.15 0.71 -0.06 12.44 -2.85 -1.26 -4.86 119.74 129.01 2ayy s LYS 755 Ca 0.51 -0.30 -0.25 0.00 -1.00 0.00 0.00 55.97 54.93 2ayy s LYS 755 Cb -0.00 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 2ayy s LYS 755 CO -0.05 -0.21 0.76 0.15 0.10 0.00 0.00 175.35 176.10 2ayy s LYS 756 N -1.72 4.45 -0.03 1.78 -0.14 -1.26 -4.91 119.74 117.91 2ayy s LYS 756 Ca -0.11 0.98 0.00 0.00 -1.36 0.00 0.00 55.97 55.48 2ayy s LYS 756 Cb -0.04 -3.46 -0.04 0.00 -1.68 0.00 0.00 37.83 32.62 2ayy s LYS 756 CO 0.02 0.02 0.01 -0.46 -0.76 0.00 0.00 175.35 174.18 2ayy s TRP 757 N 0.93 3.14 -0.62 3.18 -0.11 -1.26 -5.07 118.94 119.13 2ayy s TRP 757 Ca 0.40 0.14 0.01 0.00 1.22 0.00 0.00 56.10 57.87 2ayy s TRP 757 Cb -0.18 -1.72 0.15 0.00 -1.50 0.00 0.00 33.47 30.22 2ayy s TRP 757 CO 0.19 0.48 0.40 -0.65 -4.62 0.00 0.00 176.95 172.75 2ayy s GLN 758 N -1.37 2.37 0.00 5.86 1.11 -1.26 -4.98 119.66 121.39 2ayy s GLN 758 Ca 0.18 -2.74 0.00 0.00 0.01 0.00 0.00 55.36 52.81 2ayy s GLN 758 Cb -0.12 -3.54 0.00 0.00 -1.01 0.00 0.00 33.01 28.34 2ayy s GLN 758 CO 0.08 -1.17 0.00 0.41 0.01 0.00 0.00 175.29 174.62 2ayy n GLY 759 N 3.03 3.70 0.08 3.09 0.00 -1.26 -3.84 105.19 109.99 2ayy n GLY 759 Ca 0.09 -0.18 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.06 -1.99 1.61 9.65 -0.57 -3.44 114.38 119.58 2ayy h ARG 760 Ca 0.00 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.91 2ayy h ARG 760 Cb 0.00 0.01 -0.19 0.00 -1.39 0.00 0.00 29.97 28.40 2ayy h ARG 760 CO 0.00 0.56 0.39 0.00 2.80 0.00 0.00 179.97 183.71 2ayy s ALA 761 N -2.91 -1.82 -0.27 2.80 0.00 -1.25 -4.67 121.76 113.63 2ayy s ALA 761 Ca -0.14 1.28 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 2ayy s ALA 761 Cb -0.01 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.04 2ayy s ALA 761 CO 0.51 -0.45 -0.01 0.08 0.00 0.00 0.00 175.76 175.89 2ayy s VAL 762 N -1.78 3.14 -0.44 0.00 1.01 -0.98 -0.95 120.40 120.39 2ayy s VAL 762 Ca -0.03 -1.06 -0.11 0.00 0.00 0.00 0.00 61.98 60.77 2ayy s VAL 762 Cb -0.00 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.80 2ayy s VAL 762 CO 0.01 0.08 0.31 -0.69 0.00 0.00 0.00 175.10 174.81 2ayy s VAL 763 N 1.34 4.56 -0.12 2.92 1.01 0.06 -0.48 120.40 129.70 2ayy s VAL 763 Ca -0.01 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.65 2ayy s VAL 763 Cb -0.18 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 2ayy s VAL 763 CO -0.02 -0.56 -0.14 -0.89 0.00 0.00 0.00 175.10 173.50 2ayy s THR 764 N 1.49 3.00 -0.25 3.92 2.01 0.16 -0.53 115.64 125.44 2ayy s THR 764 Ca 0.03 -0.69 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 2ayy s THR 764 Cb -0.24 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 2ayy s THR 764 CO 0.03 0.53 0.11 -0.36 -0.69 0.00 0.00 174.62 174.24 2ayy s PHE 765 N 0.22 3.15 0.24 4.92 0.40 -0.97 -2.39 117.98 123.55 2ayy s PHE 765 Ca -0.09 -0.19 -0.19 0.00 -0.60 0.00 0.00 56.93 55.86 2ayy s PHE 765 Cb -0.15 -2.26 0.02 0.00 0.51 0.00 0.00 43.02 41.14 2ayy s PHE 765 CO 0.05 -0.23 0.62 0.00 0.70 0.00 0.00 175.22 176.36 2ayy n ARG 767 N -0.41 0.89 -4.31 0.00 5.12 -1.26 -2.38 116.66 114.30 2ayy n ARG 767 Ca -0.07 -0.06 -0.19 0.00 -1.93 0.00 0.00 57.85 55.60 2ayy n ARG 767 Cb 0.61 -1.13 -0.15 0.00 -1.16 0.00 0.00 32.46 30.63 2ayy n ARG 767 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2ayy s ARG 768 N -2.39 0.81 -0.02 5.56 0.52 -1.26 -5.06 118.95 117.10 2ayy s ARG 768 Ca -0.02 -0.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.97 2ayy s ARG 768 Cb 0.05 -0.77 -0.01 0.00 0.52 0.00 0.00 34.95 34.74 2ayy s ARG 768 CO 0.31 0.09 -0.13 -3.38 0.02 0.00 0.00 175.30 172.22 2ayy s HIS 769 N 0.19 1.22 0.00 -0.53 -3.43 -1.26 -4.90 115.29 106.58 2ayy s HIS 769 Ca -0.03 -0.27 0.00 0.00 -0.80 0.00 0.00 55.06 53.96 2ayy s HIS 769 Cb -0.08 -0.81 0.00 0.00 -1.43 0.00 0.00 32.58 30.26 2ayy s HIS 769 CO 0.00 -0.06 0.00 -0.89 -2.00 0.00 0.00 174.74 171.79 2ayy n ILE 770 N 2.95 0.00 -0.74 -5.38 5.41 -1.26 -4.84 119.36 115.50 2ayy n ILE 770 Ca -0.16 0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.40 2ayy n ILE 770 Cb 0.55 -0.09 0.08 0.00 -0.71 0.00 0.00 39.64 39.47 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 4.19 4.16 3.78 7.39 0.00 -1.26 -4.92 105.19 118.52 2ayy n GLY 771 Ca 0.00 -1.10 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.63 5.26 -0.05 -0.61 -1.09 -1.26 -4.14 121.20 116.67 2ayy s ILE 772 Ca 0.39 0.59 -0.30 0.00 -2.23 0.00 0.00 60.65 59.11 2ayy s ILE 772 Cb 0.32 -3.62 -0.07 0.00 -1.58 0.00 0.00 42.46 37.51 2ayy s ILE 772 CO 0.03 0.47 1.88 -2.84 -1.23 0.00 0.00 174.94 173.25 2ayy s PRO 773 N -0.15 3.97 -0.58 2.79 0.02 -1.26 -4.91 135.00 134.87 2ayy s PRO 773 Ca 0.19 2.31 0.01 0.00 0.02 0.00 0.00 61.00 63.52 2ayy s PRO 773 Cb -0.14 -4.13 0.43 0.00 0.02 0.00 0.00 34.50 30.68 2ayy s PRO 773 CO 0.07 -1.13 1.75 1.47 -0.33 0.00 0.00 177.00 178.83 2ayy n LEU 774 N 8.13 6.75 0.00 -5.54 -0.00 -1.26 -4.50 117.00 120.58 2ayy n LEU 774 Ca 0.20 -4.56 0.00 0.00 -0.00 0.00 0.00 56.01 51.65 2ayy n LEU 774 Cb 0.43 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.05 2ayy n LEU 774 CO 0.66 1.74 0.00 1.21 -0.00 0.00 0.00 177.39 181.00 2ayy n GLU 775 N -0.77 0.00 -1.80 1.47 2.13 -1.26 -4.64 120.64 115.77 2ayy n GLU 775 Ca 0.55 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 58.20 2ayy n GLU 775 Cb 0.67 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.33 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 -1.56 -3.64 5.31 4.76 -1.26 -4.84 118.16 130.93 2ayy n LYS 776 Ca 0.00 0.92 -0.10 0.00 -2.87 0.00 0.00 58.31 56.26 2ayy n LYS 776 Cb 0.00 -5.34 -0.07 0.00 -1.84 0.00 0.00 35.03 27.78 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 -2.55 -1.95 0.00 7.82 0.00 -1.26 -5.05 121.76 118.77 2ayy s ALA 777 Ca 0.00 1.89 -0.02 0.00 0.00 0.00 0.00 51.96 53.83 2ayy s ALA 777 Cb 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 23.12 21.63 2ayy s ALA 777 CO 0.00 -0.25 1.76 -2.30 0.00 0.00 0.00 175.76 174.97 2ayy n PRO 778 N 2.25 0.88 0.00 0.00 -0.02 -1.26 -2.17 135.00 134.68 2ayy n PRO 778 Ca -0.13 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 2ayy n PRO 778 Cb 0.56 -1.51 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 2.22 1.00 3.14 -1.23 0.00 -1.26 -4.97 105.19 104.09 2ayy n GLY 779 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 0.55 -0.05 1.61 -1.05 -0.92 -2.33 118.70 116.50 2ayy s GLU 780 Ca 0.00 -0.43 -0.01 0.00 -0.15 0.00 0.00 54.97 54.38 2ayy s GLU 780 Cb 0.00 0.23 0.03 0.00 -0.44 0.00 0.00 34.13 33.95 2ayy s GLU 780 CO 0.00 -0.14 0.01 -1.58 0.95 0.00 0.00 175.26 174.50 2ayy s TRP 781 N -1.63 0.45 0.11 4.83 0.52 0.37 -4.14 118.94 119.45 2ayy s TRP 781 Ca -0.13 -0.03 0.10 0.00 0.02 0.00 0.00 56.10 56.06 2ayy s TRP 781 Cb -0.06 -0.62 -0.04 0.00 -1.15 0.00 0.00 33.47 31.60 2ayy s TRP 781 CO 0.01 -0.24 -0.26 0.54 0.02 0.00 0.00 176.95 177.02 2ayy s VAL 782 N 1.71 2.34 -0.11 4.03 0.11 -1.26 -0.67 120.40 126.54 2ayy s VAL 782 Ca 0.00 -1.66 -0.28 0.00 -2.93 0.00 0.00 61.98 57.11 2ayy s VAL 782 Cb -0.13 -2.02 0.07 0.00 -1.53 0.00 0.00 36.38 32.77 2ayy s VAL 782 CO -0.03 0.13 0.67 -2.28 -3.33 0.00 0.00 175.10 170.26 2ayy s HIS 783 N -1.03 -0.67 0.13 1.54 2.46 -1.01 -4.92 115.29 111.80 2ayy s HIS 783 Ca 0.14 1.32 -0.33 0.00 0.47 0.00 0.00 55.06 56.66 2ayy s HIS 783 Cb -0.10 0.35 -0.13 0.00 -0.13 0.00 0.00 32.58 32.57 2ayy s HIS 783 CO 0.06 -0.52 1.68 0.43 -2.47 0.00 0.00 174.74 173.91 2ayy n SER 784 N 1.49 3.41 -4.57 9.88 7.64 -1.24 -1.43 113.62 128.80 2ayy n SER 784 Ca -0.18 1.05 -0.26 0.00 1.01 0.00 0.00 58.87 60.50 2ayy n SER 784 Cb 0.56 -1.46 -0.07 0.00 -1.01 0.00 0.00 64.21 62.24 2ayy n SER 784 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2ayy s VAL 785 N 1.60 3.44 -0.21 0.44 0.11 -1.00 -4.70 120.40 120.08 2ayy s VAL 785 Ca 0.80 -0.67 -0.27 0.00 -2.93 0.00 0.00 61.98 58.92 2ayy s VAL 785 Cb -0.63 -4.33 0.08 0.00 -1.53 0.00 0.00 36.38 29.97 2ayy s VAL 785 CO 0.39 -0.83 0.76 0.00 -3.33 0.00 0.00 175.10 172.08 2ayy s ALA 786 N 11.75 -1.80 0.05 1.54 0.00 -1.26 -4.92 121.76 127.11 2ayy s ALA 786 Ca 0.71 1.83 0.00 0.00 0.00 0.00 0.00 51.96 54.50 2ayy s ALA 786 Cb -0.03 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.18 2ayy s ALA 786 CO 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 175.76 175.53 2ayy n ALA 787 N 2.14 -2.36 0.66 0.00 0.00 -1.26 -4.75 120.51 114.94 2ayy n ALA 787 Ca -0.15 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2ayy n ALA 787 Cb 0.56 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2ayy n ALA 787 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2ayy n PRO 788 N 1.21 0.66 -0.08 0.00 -0.02 -1.26 -3.56 135.00 131.96 2ayy n PRO 788 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 2ayy n PRO 788 Cb 0.00 -1.29 -0.07 0.00 -0.02 0.00 0.00 33.50 32.13 2ayy n PRO 788 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ayy h HIS 789 N 0.44 0.00 0.00 6.00 -0.00 -2.03 -3.39 115.15 116.17 2ayy h HIS 789 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2ayy h HIS 789 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.83 2ayy h HIS 789 CO 0.00 0.67 0.00 1.05 -0.00 0.00 0.00 177.93 179.65 2ayy h GLU 790 N -1.00 0.00 0.88 5.26 9.09 -1.87 -3.21 114.58 123.74 2ayy h GLU 790 Ca -0.11 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.26 2ayy h GLU 790 Cb 0.75 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 2ayy h GLU 790 CO -0.07 0.00 -0.47 -0.07 0.05 0.00 0.00 179.01 178.45 2ayy h LEU 791 N 0.00 -1.15 -0.70 3.06 3.38 -1.75 0.14 115.31 118.28 2ayy h LEU 791 Ca 0.00 0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2ayy h LEU 791 Cb 0.87 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2ayy h LEU 791 CO 0.00 -0.76 -0.56 -0.65 0.09 0.00 0.00 178.44 176.56 2ayy h PRO 792 N -1.24 0.00 -0.21 1.13 0.11 -1.77 -2.64 132.00 127.38 2ayy h PRO 792 Ca -0.12 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 2ayy h PRO 792 Cb 0.97 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 2ayy h PRO 792 CO 0.17 0.56 -0.03 0.00 -0.21 0.00 0.00 178.00 178.49 2ayy h ALA 793 N 1.44 0.28 -0.41 -0.75 0.00 -1.54 -1.28 119.26 117.01 2ayy h ALA 793 Ca -0.01 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.56 2ayy h ALA 793 Cb 1.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2ayy h ALA 793 CO 0.07 0.04 -0.18 1.25 0.00 0.00 0.00 179.25 180.43 2ayy h LEU 794 N 0.13 0.86 -0.72 0.00 5.85 -0.99 -2.39 115.31 118.06 2ayy h LEU 794 Ca 0.06 -0.40 0.06 0.00 0.84 0.00 0.00 57.88 58.43 2ayy h LEU 794 Cb 0.45 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2ayy h LEU 794 CO 0.02 1.07 0.42 -0.07 -0.34 0.00 0.00 178.44 179.53 2ayy h LEU 795 N 0.65 0.64 -0.72 2.25 3.38 -1.40 -0.10 115.31 120.01 2ayy h LEU 795 Ca 0.09 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2ayy h LEU 795 Cb 0.74 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 2ayy h LEU 795 CO 0.06 0.41 0.05 0.00 0.09 0.00 0.00 178.44 179.05 2ayy h ALA 796 N 1.36 0.93 0.00 1.53 0.00 -1.12 -1.28 119.26 120.68 2ayy h ALA 796 Ca 0.32 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2ayy h ALA 796 Cb 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2ayy h ALA 796 CO -0.17 0.65 -0.32 -0.09 0.00 0.00 0.00 179.25 179.32 2ayy h ARG 797 N 0.96 0.00 -0.03 0.00 2.43 -0.82 0.35 114.38 117.27 2ayy h ARG 797 Ca 0.18 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.20 2ayy h ARG 797 Cb 0.48 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2ayy h ARG 797 CO 0.02 0.32 -0.60 0.82 -1.51 0.00 0.00 179.97 179.02 2ayy h ILE 798 N 0.00 1.41 -0.43 1.20 2.04 -0.44 -3.27 117.51 118.02 2ayy h ILE 798 Ca -0.00 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.83 2ayy h ILE 798 Cb 0.60 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2ayy h ILE 798 CO 0.04 0.59 0.00 0.00 0.00 0.00 0.00 178.15 178.79 2ayy n TYR 799 N -4.21 0.95 -3.08 1.37 4.19 -0.54 -4.92 117.16 110.92 2ayy n TYR 799 Ca -0.10 -0.38 -0.13 0.00 3.31 0.00 0.00 57.90 60.59 2ayy n TYR 799 Cb 0.66 -0.16 0.07 0.00 0.49 0.00 0.00 39.34 40.40 2ayy n TYR 799 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 2ayy n LEU 800 N 0.67 -4.64 0.00 2.98 -0.00 -0.81 -5.04 117.00 110.16 2ayy n LEU 800 Ca 0.17 -0.58 -0.17 0.00 -0.00 0.00 0.00 56.01 55.42 2ayy n LEU 800 Cb 0.61 -2.81 0.02 0.00 -0.00 0.00 0.00 43.42 41.24 2ayy n LEU 800 CO 0.15 0.17 0.15 -0.38 -0.00 0.00 0.00 177.39 177.49 2ayy n ILE 801 N -3.24 0.00 0.01 1.96 2.08 0.12 -5.02 119.36 115.27 2ayy n ILE 801 Ca -0.13 -1.56 0.01 0.00 0.56 0.00 0.00 62.75 61.64 2ayy n ILE 801 Cb 0.62 -0.36 0.34 0.00 -0.75 0.00 0.00 39.64 39.48 2ayy n ILE 801 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2ayy h GLU 802 N 0.00 0.49 -6.67 0.38 3.07 -1.97 -3.43 114.58 106.45 2ayy h GLU 802 Ca -0.24 -0.09 -0.51 0.00 -0.50 0.00 0.00 59.36 58.02 2ayy h GLU 802 Cb 0.95 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 2ayy h GLU 802 CO 0.36 0.48 0.47 -1.64 -1.40 0.00 0.00 179.01 177.28 2ayy s MET 803 N -5.06 4.61 0.00 2.33 -1.94 -1.26 -5.04 119.30 112.94 2ayy s MET 803 Ca -0.07 1.71 0.00 0.00 -1.71 0.00 0.00 55.69 55.61 2ayy s MET 803 Cb 0.16 -3.27 0.00 0.00 2.01 0.00 0.00 34.83 33.73 2ayy s MET 803 CO 0.75 0.10 0.00 -0.85 -0.01 0.00 0.00 175.02 175.02 2ayy n GLU 804 N 2.26 2.89 -2.21 2.03 -0.00 -1.26 -3.02 120.64 121.33 2ayy n GLU 804 Ca 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.86 2ayy n GLU 804 Cb 0.46 0.00 -0.04 0.00 -0.00 0.00 0.00 31.44 31.86 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 -0.13 5.54 -1.21 -1.84 0.01 -1.26 -4.74 113.70 110.08 2ayy s SER 805 Ca 0.00 -1.66 -0.17 0.00 1.31 0.00 0.00 55.95 55.43 2ayy s SER 805 Cb 0.00 -2.58 0.11 0.00 0.21 0.00 0.00 66.02 63.76 2ayy s SER 805 CO 0.00 -2.50 1.55 -0.62 0.41 0.00 0.00 173.24 172.08 2ayy s ASP 806 N 6.15 6.87 -0.09 2.44 2.15 -1.26 -4.97 116.67 127.96 2ayy s ASP 806 Ca 0.64 -2.51 0.00 0.00 0.43 0.00 0.00 52.55 51.11 2ayy s ASP 806 Cb -0.01 -2.50 -0.03 0.00 -0.30 0.00 0.00 42.92 40.09 2ayy s ASP 806 CO 0.08 -1.04 -0.08 1.51 -0.17 0.00 0.00 175.17 175.47 2ayy s ASP 807 N 3.75 4.56 0.16 -0.34 -4.77 -1.26 -4.96 116.67 113.80 2ayy s ASP 807 Ca 0.47 -0.09 -0.04 0.00 -3.30 0.00 0.00 52.55 49.59 2ayy s ASP 807 Cb 0.00 -1.31 -0.05 0.00 -1.09 0.00 0.00 42.92 40.47 2ayy s ASP 807 CO 0.02 0.30 0.39 -2.16 0.70 0.00 0.00 175.17 174.42 2ayy s PRO 808 N -0.45 3.61 -0.74 2.11 0.04 -1.26 -5.05 135.00 133.26 2ayy s PRO 808 Ca 0.06 -0.10 0.04 0.00 0.04 0.00 0.00 61.00 61.04 2ayy s PRO 808 Cb -0.12 -2.83 0.26 0.00 0.04 0.00 0.00 34.50 31.84 2ayy s PRO 808 CO 0.02 0.45 0.88 0.00 0.04 0.00 0.00 177.00 178.39 2ayy n ALA 809 N -0.04 4.26 -2.51 8.56 0.00 -1.26 -4.99 120.51 124.54 2ayy n ALA 809 Ca -0.02 -4.77 -0.43 0.00 0.00 0.00 0.00 53.44 48.22 2ayy n ALA 809 Cb 0.52 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2ayy n ALA 809 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2ayy n ASN 810 N 1.04 4.96 -4.78 0.00 5.15 -1.26 -4.99 115.26 115.38 2ayy n ASN 810 Ca 0.28 -3.00 -0.33 0.00 -0.60 0.00 0.00 54.58 50.93 2ayy n ASN 810 Cb 0.39 -1.57 0.03 0.00 -0.53 0.00 0.00 39.78 38.10 2ayy n ASN 810 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ayy s ALA 811 N 1.70 2.58 -0.11 5.20 0.00 -1.26 -5.04 121.76 124.82 2ayy s ALA 811 Ca 0.44 0.58 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2ayy s ALA 811 Cb 0.05 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 2ayy s ALA 811 CO 0.00 -1.04 -0.08 -1.17 0.00 0.00 0.00 175.76 173.46 2ayy s LEU 812 N -4.51 3.01 -0.32 0.00 0.20 -1.26 -5.05 118.68 110.75 2ayy s LEU 812 Ca 0.68 -0.17 -0.36 0.00 0.69 0.00 0.00 54.13 54.96 2ayy s LEU 812 Cb -0.20 -1.68 -0.13 0.00 -0.43 0.00 0.00 46.19 43.75 2ayy s LEU 812 CO 0.37 0.24 2.07 -2.65 -0.29 0.00 0.00 176.35 176.08 2ayy n PRO 813 N 3.07 1.16 -3.09 0.98 -0.02 -1.26 -4.87 135.00 130.97 2ayy n PRO 813 Ca -0.18 0.36 -0.44 0.00 -2.02 0.00 0.00 63.50 61.21 2ayy n PRO 813 Cb 0.53 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.64 2ayy n PRO 813 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2ayy s SER 814 N 6.20 7.14 0.90 2.55 0.01 -1.26 -5.01 113.70 124.23 2ayy s SER 814 Ca 1.06 -3.16 -0.14 0.00 1.31 0.00 0.00 55.95 55.02 2ayy s SER 814 Cb -0.91 -2.33 0.15 0.00 0.21 0.00 0.00 66.02 63.14 2ayy s SER 814 CO 0.53 -0.59 1.25 -0.89 0.41 0.00 0.00 173.24 173.95 2ayy s THR 815 N 0.58 1.99 0.00 1.44 2.01 -1.26 -5.35 115.64 115.05 2ayy s THR 815 Ca 0.37 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.37 2ayy s THR 815 Cb -0.06 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2ayy s THR 815 CO -0.03 0.00 0.00 -0.67 -0.69 0.00 0.00 174.62 173.23