#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 0.20 0.00 3.17 0.00 -1.26 -5.14 105.19 102.16 2ayy n GLY 697 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2ayy n GLY 697 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ayy n GLY 698 N 0.00 1.85 3.83 -0.02 0.00 -1.26 -5.07 105.19 104.53 2ayy n GLY 698 Ca 0.00 -1.26 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 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 0.00 6.91 -0.29 1.61 1.04 -1.26 -5.06 113.70 116.64 2ayy s SER 699 Ca 0.00 1.22 0.03 0.00 0.48 0.00 0.00 55.95 57.68 2ayy s SER 699 Cb 0.00 -2.34 0.20 0.00 0.10 0.00 0.00 66.02 63.97 2ayy s SER 699 CO 0.00 0.05 0.64 -0.83 0.98 0.00 0.00 173.24 174.08 2ayy s GLY 700 N -1.75 -1.17 -0.08 7.32 0.00 -1.26 -5.13 107.32 105.24 2ayy s GLY 700 Ca 0.41 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.46 2ayy s GLY 700 CO 0.20 3.68 -0.07 0.14 0.00 0.00 0.00 173.10 177.05 2ayy s VAL 701 N 2.85 0.85 -0.75 1.40 1.01 -1.26 -5.09 120.40 119.41 2ayy s VAL 701 Ca 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2ayy s VAL 701 Cb -0.10 -0.87 0.18 0.00 0.00 0.00 0.00 36.38 35.59 2ayy s VAL 701 CO -0.25 0.32 0.57 -1.83 0.00 0.00 0.00 175.10 173.92 2ayy s GLU 702 N 1.39 2.74 -1.22 2.72 1.03 -1.26 -4.99 118.70 119.11 2ayy s GLU 702 Ca -0.02 -3.16 -0.09 0.00 0.03 0.00 0.00 54.97 51.72 2ayy s GLU 702 Cb -0.13 -3.65 0.20 0.00 -0.80 0.00 0.00 34.13 29.74 2ayy s GLU 702 CO -0.04 -1.25 1.67 0.41 -1.33 0.00 0.00 175.26 174.73 2ayy n GLY 703 N 2.39 4.51 3.56 -3.83 0.00 -1.26 -4.96 105.19 105.59 2ayy n GLY 703 Ca 0.18 -2.21 -0.42 0.00 0.00 0.00 0.00 46.02 43.57 2ayy n GLY 703 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ayy s LEU 704 N -0.30 3.53 0.00 0.99 2.01 -1.26 -4.97 118.68 118.68 2ayy s LEU 704 Ca 0.38 -0.16 0.00 0.00 0.01 0.00 0.00 54.13 54.36 2ayy s LEU 704 Cb 0.05 -2.92 0.00 0.00 0.01 0.00 0.00 46.19 43.33 2ayy s LEU 704 CO 0.02 -1.53 0.00 -1.54 1.01 0.00 0.00 176.35 174.31 2ayy n SER 705 N 8.48 1.11 0.00 2.29 3.41 -1.26 -5.11 113.62 122.54 2ayy n SER 705 Ca 0.05 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 2ayy n SER 705 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2ayy n SER 705 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ayy n GLY 706 N 2.78 0.67 3.80 5.00 0.00 -1.26 -5.09 105.19 111.09 2ayy n GLY 706 Ca 0.00 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.19 3.33 0.02 1.61 -0.14 -1.23 -4.80 119.74 118.34 2ayy s LYS 707 Ca 0.00 1.23 0.06 0.00 -1.36 0.00 0.00 55.97 55.91 2ayy s LYS 707 Cb 0.00 -2.03 -0.03 0.00 -1.68 0.00 0.00 37.83 34.09 2ayy s LYS 707 CO 0.00 -0.81 -0.16 0.50 -0.76 0.00 0.00 175.35 174.12 2ayy s ARG 708 N -3.99 2.19 -0.01 1.68 3.00 -1.26 -0.51 118.95 120.04 2ayy s ARG 708 Ca 0.64 -0.91 0.00 0.00 -1.00 0.00 0.00 55.73 54.47 2ayy s ARG 708 Cb -0.16 -2.25 0.01 0.00 0.00 0.00 0.00 34.95 32.55 2ayy s ARG 708 CO 0.36 0.56 0.00 0.00 0.00 0.00 0.00 175.30 176.22 2ayy s TRP 710 N 0.53 3.05 -0.11 0.00 0.52 -0.76 -1.06 118.94 121.11 2ayy s TRP 710 Ca -0.05 -0.00 0.01 0.00 0.02 0.00 0.00 56.10 56.08 2ayy s TRP 710 Cb -0.07 -1.82 0.02 0.00 -1.15 0.00 0.00 33.47 30.44 2ayy s TRP 710 CO -0.01 0.27 -0.15 -0.48 0.02 0.00 0.00 176.95 176.60 2ayy s LEU 711 N -0.47 1.70 -0.58 2.99 2.34 -0.55 -1.00 118.68 123.11 2ayy s LEU 711 Ca 0.08 -0.43 0.06 0.00 0.06 0.00 0.00 54.13 53.90 2ayy s LEU 711 Cb -0.12 -1.10 0.27 0.00 -0.56 0.00 0.00 46.19 44.68 2ayy s LEU 711 CO 0.02 0.00 0.75 0.00 -1.06 0.00 0.00 176.35 176.07 2ayy n ALA 712 N 4.31 3.88 -3.10 1.48 0.00 0.29 -0.83 120.51 126.53 2ayy n ALA 712 Ca -0.19 -4.52 -0.33 0.00 0.00 0.00 0.00 53.44 48.40 2ayy n ALA 712 Cb 0.51 -0.86 -0.14 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.66 3.07 -0.71 0.00 1.01 -1.26 -2.58 120.40 117.27 2ayy s VAL 713 Ca 0.41 -0.65 0.26 0.00 0.00 0.00 0.00 61.98 61.99 2ayy s VAL 713 Cb 0.18 -2.29 0.21 0.00 0.00 0.00 0.00 36.38 34.48 2ayy s VAL 713 CO -0.05 0.52 1.64 0.54 0.00 0.00 0.00 175.10 177.75 2ayy n ARG 714 N 3.59 0.27 -2.67 2.72 5.12 -1.26 -4.64 116.66 119.78 2ayy n ARG 714 Ca -0.18 0.17 -0.42 0.00 -1.93 0.00 0.00 57.85 55.49 2ayy n ARG 714 Cb 0.53 -1.77 -0.03 0.00 -1.16 0.00 0.00 32.46 30.03 2ayy n ARG 714 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2ayy s ASN 715 N -4.42 6.40 0.15 0.55 0.01 -1.26 -4.89 114.94 111.48 2ayy s ASN 715 Ca 0.09 -1.25 -0.18 0.00 -0.71 0.00 0.00 52.86 50.81 2ayy s ASN 715 Cb 0.13 -2.51 0.06 0.00 0.41 0.00 0.00 41.25 39.33 2ayy s ASN 715 CO 0.63 -1.50 1.68 0.00 -1.51 0.00 0.00 177.10 176.40 2ayy h ALA 716 N 9.64 0.20 -0.75 0.60 0.00 -1.99 0.23 119.26 127.20 2ayy h ALA 716 Ca 0.01 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2ayy h ALA 716 Cb 1.03 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2ayy h ALA 716 CO 1.30 -0.47 0.29 0.77 0.00 0.00 0.00 179.25 181.14 2ayy h SER 717 N -0.02 1.05 0.00 0.00 0.02 -1.98 -1.58 113.55 111.04 2ayy h SER 717 Ca 0.16 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2ayy h SER 717 Cb 0.26 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.53 2ayy h SER 717 CO -0.35 0.94 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.21 2ayy h LEU 718 N 1.09 -0.00 -0.60 5.07 3.38 -1.77 -2.52 115.31 119.96 2ayy h LEU 718 Ca 0.25 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 2ayy h LEU 718 Cb 0.23 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 2ayy h LEU 718 CO -0.02 0.45 -0.12 0.00 0.09 0.00 0.00 178.44 178.84 2ayy h GLN 720 N 0.88 0.95 -0.14 0.00 4.15 -1.36 -1.90 115.11 117.69 2ayy h GLN 720 Ca 0.14 -0.22 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 2ayy h GLN 720 Cb 0.67 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 28.23 2ayy h GLN 720 CO 0.05 0.86 -0.00 0.74 -1.93 0.00 0.00 178.83 178.55 2ayy h PHE 721 N 0.90 0.27 -0.28 3.99 -1.00 -0.97 -2.82 116.94 117.03 2ayy h PHE 721 Ca 0.19 -0.05 -0.07 0.00 2.81 0.00 0.00 57.97 60.85 2ayy h PHE 721 Cb 0.36 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 2ayy h PHE 721 CO 0.02 0.48 -0.10 1.37 -1.61 0.00 0.00 178.31 178.47 2ayy h LEU 722 N -0.02 0.58 -0.68 1.54 8.10 -1.24 -2.53 115.31 121.05 2ayy h LEU 722 Ca 0.04 -0.39 0.01 0.00 0.11 0.00 0.00 57.88 57.66 2ayy h LEU 722 Cb 0.37 -0.16 -0.04 0.00 -0.44 0.00 0.00 40.66 40.40 2ayy h LEU 722 CO 0.01 0.83 0.45 1.05 -4.11 0.00 0.00 178.44 176.67 2ayy h GLU 723 N 0.32 0.87 -0.37 0.17 4.11 -1.39 -0.23 114.58 118.06 2ayy h GLU 723 Ca 0.07 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.36 2ayy h GLU 723 Cb 0.60 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 2ayy h GLU 723 CO 0.03 0.58 -0.14 1.15 0.07 0.00 0.00 179.01 180.70 2ayy h THR 724 N 0.90 1.25 0.09 -1.06 2.02 -1.48 -1.85 112.91 112.78 2ayy h THR 724 Ca 0.26 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 2ayy h THR 724 Cb -0.07 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 2ayy h THR 724 CO -0.07 0.39 -0.05 0.28 0.37 0.00 0.00 175.52 176.44 2ayy h SER 725 N 0.60 -0.11 0.95 4.18 0.02 -0.89 -3.24 113.55 115.07 2ayy h SER 725 Ca 0.10 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 2ayy h SER 725 Cb 0.59 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 2ayy h SER 725 CO 0.04 0.39 -0.13 0.17 -1.14 0.00 0.00 176.83 176.16 2ayy h LEU 726 N -0.65 0.00 -2.25 5.07 8.10 -1.09 -2.67 115.31 121.83 2ayy h LEU 726 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.97 2ayy h LEU 726 Cb 0.52 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.74 2ayy h LEU 726 CO 0.02 0.13 -0.02 1.56 -4.11 0.00 0.00 178.44 176.02 2ayy h GLN 727 N 0.00 0.00 0.00 0.17 1.08 -1.36 -1.70 115.11 113.31 2ayy h GLN 727 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2ayy h GLN 727 Cb 0.64 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 2ayy h GLN 727 CO 0.02 0.02 0.00 0.54 -0.95 0.00 0.00 178.83 178.46 2ayy n ARG 728 N -3.20 0.02 -0.14 1.46 1.74 -1.01 -1.21 116.66 114.34 2ayy n ARG 728 Ca -0.02 0.25 0.11 0.00 -0.77 0.00 0.00 57.85 57.43 2ayy n ARG 728 Cb 0.18 -1.50 0.29 0.00 -1.02 0.00 0.00 32.46 30.41 2ayy n ARG 728 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ayy n SER 729 N -1.47 2.51 -0.07 0.55 2.88 -0.64 -4.91 113.62 112.46 2ayy n SER 729 Ca 0.04 -1.86 0.00 0.00 -1.33 0.00 0.00 58.87 55.71 2ayy n SER 729 Cb 0.15 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 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 1.30 0.47 3.70 0.46 0.00 -0.35 -4.90 105.19 105.88 2ayy n GLY 730 Ca 0.17 -0.85 -0.35 0.00 0.00 0.00 0.00 46.02 44.99 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 -2.15 5.36 -0.24 -0.61 1.01 -1.23 -3.50 121.20 119.84 2ayy s ILE 731 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 60.65 60.59 2ayy s ILE 731 Cb 0.00 -3.46 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 2ayy s ILE 731 CO 0.00 0.41 0.79 0.54 0.00 0.00 0.00 174.94 176.68 2ayy s VAL 732 N 0.59 4.86 0.11 2.92 0.11 0.33 -4.48 120.40 124.83 2ayy s VAL 732 Ca 0.08 1.49 -0.18 0.00 -2.93 0.00 0.00 61.98 60.44 2ayy s VAL 732 Cb -0.12 -4.08 -0.07 0.00 -1.53 0.00 0.00 36.38 30.58 2ayy s VAL 732 CO 0.00 -0.05 0.58 0.68 -3.33 0.00 0.00 175.10 172.97 2ayy s VAL 733 N 2.78 4.76 -0.02 2.04 -7.23 -1.26 -2.13 120.40 119.34 2ayy s VAL 733 Ca 0.33 1.11 0.01 0.00 -1.81 0.00 0.00 61.98 61.62 2ayy s VAL 733 Cb -0.15 -3.85 0.01 0.00 0.56 0.00 0.00 36.38 32.95 2ayy s VAL 733 CO 0.07 0.44 -0.03 -0.89 -0.31 0.00 0.00 175.10 174.38 2ayy s THR 734 N -1.24 0.35 -0.12 5.32 2.01 -0.22 -4.96 115.64 116.78 2ayy s THR 734 Ca 0.33 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.94 2ayy s THR 734 Cb -0.18 -0.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.94 2ayy s THR 734 CO 0.19 0.15 1.39 -0.89 -0.69 0.00 0.00 174.62 174.77 2ayy s THR 735 N 0.50 4.03 -0.55 -0.82 2.01 -1.26 -1.48 115.64 118.07 2ayy s THR 735 Ca -0.06 1.26 -0.28 0.00 0.31 0.00 0.00 61.69 62.92 2ayy s THR 735 Cb -0.09 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.63 2ayy s THR 735 CO -0.01 -0.10 1.35 -0.47 -0.69 0.00 0.00 174.62 174.70 2ayy s TYR 736 N 3.60 2.39 0.00 4.92 5.04 -0.01 -4.79 117.35 128.49 2ayy s TYR 736 Ca 0.61 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.73 2ayy s TYR 736 Cb -0.26 -4.42 0.00 0.00 0.35 0.00 0.00 41.96 37.63 2ayy s TYR 736 CO 0.20 -1.86 0.00 0.39 -1.34 0.00 0.00 175.55 172.94 2ayy n GLU 737 N 8.52 0.00 -2.67 4.97 -0.58 -1.26 -4.55 120.64 125.07 2ayy n GLU 737 Ca 0.12 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.77 2ayy n GLU 737 Cb 0.49 -0.04 0.04 0.00 -0.57 0.00 0.00 31.44 31.36 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 3.47 1.50 3.75 0.62 0.00 -1.26 -5.11 105.19 108.16 2ayy n GLY 738 Ca 0.00 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.70 2.22 0.19 1.61 1.11 -1.26 -5.13 119.66 115.70 2ayy s GLN 739 Ca 0.26 -1.91 -0.14 0.00 0.01 0.00 0.00 55.36 53.59 2ayy s GLN 739 Cb 0.45 -1.95 -0.07 0.00 -1.01 0.00 0.00 33.01 30.42 2ayy s GLN 739 CO 0.02 -0.18 0.58 -1.21 0.01 0.00 0.00 175.29 174.51 2ayy s GLU 740 N -3.94 3.97 0.35 2.91 0.41 -1.26 -5.07 118.70 116.07 2ayy s GLU 740 Ca 0.38 0.49 -0.22 0.00 -0.41 0.00 0.00 54.97 55.21 2ayy s GLU 740 Cb 0.03 -2.82 -0.10 0.00 -1.78 0.00 0.00 34.13 29.46 2ayy s GLU 740 CO 0.21 0.41 0.90 -1.25 -0.49 0.00 0.00 175.26 175.03 2ayy s PRO 741 N -2.24 4.35 -0.09 0.39 0.04 -1.26 -5.08 135.00 131.12 2ayy s PRO 741 Ca 0.42 1.13 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 2ayy s PRO 741 Cb -0.14 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.83 2ayy s PRO 741 CO 0.20 0.17 -0.03 0.99 0.04 0.00 0.00 177.00 178.36 2ayy s THR 742 N -1.85 3.99 -1.05 1.26 2.01 -1.26 -4.86 115.64 113.88 2ayy s THR 742 Ca 0.54 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 62.26 2ayy s THR 742 Cb -0.14 -2.66 0.08 0.00 0.01 0.00 0.00 72.50 69.79 2ayy s THR 742 CO 0.19 0.59 1.27 -0.81 -0.69 0.00 0.00 174.62 175.16 2ayy n PRO 743 N 2.33 0.01 -0.00 4.92 -0.04 -1.26 -1.31 135.00 139.65 2ayy n PRO 743 Ca -0.18 0.33 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 2ayy n PRO 743 Cb 0.53 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 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 -1.48 0.06 -3.87 0.54 -0.58 -1.26 -1.96 120.64 112.09 2ayy n GLU 744 Ca 0.02 -0.02 -0.21 0.00 -0.42 0.00 0.00 57.16 56.54 2ayy n GLU 744 Cb 0.10 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.43 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 -3.15 5.60 0.10 1.62 1.01 -0.43 -4.76 116.67 116.67 2ayy s ASP 745 Ca 0.07 -0.30 0.10 0.00 0.71 0.00 0.00 52.55 53.13 2ayy s ASP 745 Cb 0.16 -1.26 -0.04 0.00 1.01 0.00 0.00 42.92 42.79 2ayy s ASP 745 CO 0.87 -0.23 -0.26 0.68 0.21 0.00 0.00 175.17 176.43 2ayy s VAL 746 N -2.19 2.19 -0.38 -1.27 -7.23 -1.26 -1.37 120.40 108.89 2ayy s VAL 746 Ca 0.38 -1.62 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 2ayy s VAL 746 Cb -0.07 -1.91 0.05 0.00 0.56 0.00 0.00 36.38 35.00 2ayy s VAL 746 CO 0.27 0.18 0.20 -0.22 -0.31 0.00 0.00 175.10 175.22 2ayy s LEU 747 N -1.76 4.78 -0.48 1.32 0.20 -0.88 -1.83 118.68 120.02 2ayy s LEU 747 Ca 0.13 -1.23 -0.22 0.00 0.69 0.00 0.00 54.13 53.50 2ayy s LEU 747 Cb -0.10 -1.97 0.04 0.00 -0.43 0.00 0.00 46.19 43.73 2ayy s LEU 747 CO 0.05 -0.43 0.74 -0.63 -0.29 0.00 0.00 176.35 175.78 2ayy s ILE 748 N 1.46 4.70 0.15 6.68 1.01 -0.17 -0.73 121.20 134.31 2ayy s ILE 748 Ca 0.01 0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.82 2ayy s ILE 748 Cb -0.21 -4.33 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2ayy s ILE 748 CO 0.04 -0.79 -0.17 -0.89 0.00 0.00 0.00 174.94 173.13 2ayy s THR 749 N 3.13 1.68 0.09 2.92 2.01 0.13 -0.55 115.64 125.05 2ayy s THR 749 Ca 0.24 -1.87 -0.07 0.00 0.31 0.00 0.00 61.69 60.31 2ayy s THR 749 Cb -0.14 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.59 2ayy s THR 749 CO 0.18 -0.35 0.15 1.51 -0.69 0.00 0.00 174.62 175.42 2ayy s ASP 750 N -2.62 0.20 0.71 3.53 -4.77 -1.07 -0.65 116.67 112.01 2ayy s ASP 750 Ca 0.14 -0.78 0.00 0.00 -3.30 0.00 0.00 52.55 48.61 2ayy s ASP 750 Cb -0.05 0.32 0.00 0.00 -1.09 0.00 0.00 42.92 42.10 2ayy s ASP 750 CO 0.06 -0.72 0.00 1.21 0.70 0.00 0.00 175.17 176.41 2ayy n GLU 751 N -0.04 0.00 -2.93 2.11 2.13 -1.02 -4.43 120.64 116.45 2ayy n GLU 751 Ca -0.13 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.25 2ayy n GLU 751 Cb 0.62 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.30 2ayy n GLU 751 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ayy s VAL 752 N 0.00 4.57 -0.12 6.31 1.01 -1.26 -4.74 120.40 126.16 2ayy s VAL 752 Ca 0.00 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.09 2ayy s VAL 752 Cb 0.00 -4.68 -0.10 0.00 0.00 0.00 0.00 36.38 31.59 2ayy s VAL 752 CO 0.00 -1.42 -0.07 0.52 0.00 0.00 0.00 175.10 174.14 2ayy n VAL 753 N 5.68 0.76 -3.40 2.92 0.31 -1.26 -5.02 118.33 118.32 2ayy n VAL 753 Ca 0.05 -0.35 -0.24 0.00 -0.01 0.00 0.00 64.34 63.79 2ayy n VAL 753 Cb 0.46 -0.89 0.04 0.00 -0.91 0.00 0.00 33.84 32.55 2ayy n VAL 753 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2ayy n SER 754 N -2.72 -5.76 -4.13 4.52 7.64 -1.26 -4.99 113.62 106.92 2ayy n SER 754 Ca -0.22 -0.46 -0.17 0.00 1.01 0.00 0.00 58.87 59.03 2ayy n SER 754 Cb 0.79 -4.60 -0.12 0.00 -1.01 0.00 0.00 64.21 59.26 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 -6.09 0.75 0.37 1.43 3.01 -1.26 -5.04 119.74 112.91 2ayy s LYS 755 Ca 0.47 -0.83 0.08 0.00 -1.01 0.00 0.00 55.97 54.68 2ayy s LYS 755 Cb -0.22 -0.70 -0.05 0.00 -1.01 0.00 0.00 37.83 35.86 2ayy s LYS 755 CO 0.58 0.16 0.14 0.15 0.51 0.00 0.00 175.35 176.89 2ayy s LYS 756 N -1.51 2.26 -0.24 1.68 -0.14 -1.26 -4.94 119.74 115.59 2ayy s LYS 756 Ca -0.03 -1.70 -0.01 0.00 -1.36 0.00 0.00 55.97 52.87 2ayy s LYS 756 Cb -0.09 -2.06 0.03 0.00 -1.68 0.00 0.00 37.83 34.03 2ayy s LYS 756 CO 0.01 0.02 -0.08 -0.46 -0.76 0.00 0.00 175.35 174.08 2ayy s TRP 757 N -2.51 3.08 -1.23 3.18 -0.11 -1.26 -5.02 118.94 115.07 2ayy s TRP 757 Ca 0.39 -1.72 -0.07 0.00 1.22 0.00 0.00 56.10 55.92 2ayy s TRP 757 Cb 0.00 -2.02 0.20 0.00 -1.50 0.00 0.00 33.47 30.16 2ayy s TRP 757 CO 0.22 -0.77 1.82 0.94 -4.62 0.00 0.00 176.95 174.54 2ayy n GLN 758 N 4.62 3.96 0.00 5.86 7.27 -1.26 -4.87 117.38 132.96 2ayy n GLN 758 Ca -0.16 -3.81 0.00 0.00 0.07 0.00 0.00 57.00 53.10 2ayy n GLN 758 Cb 0.46 -2.79 0.00 0.00 2.41 0.00 0.00 30.24 30.33 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2ayy n GLY 759 N 2.27 4.53 0.24 1.69 0.00 -1.26 -4.18 105.19 108.49 2ayy n GLY 759 Ca 0.38 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.55 -3.26 1.61 2.43 -0.56 -3.45 114.38 110.61 2ayy h ARG 760 Ca 0.00 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 2ayy h ARG 760 Cb 0.00 0.13 -0.13 0.00 -0.42 0.00 0.00 29.97 29.55 2ayy h ARG 760 CO 0.00 -0.37 0.00 0.00 -1.51 0.00 0.00 179.97 178.10 2ayy s ALA 761 N -4.13 -1.12 -0.00 2.80 0.00 -1.24 -4.93 121.76 113.14 2ayy s ALA 761 Ca -0.08 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.06 2ayy s ALA 761 Cb 0.01 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 2ayy s ALA 761 CO 0.25 -0.67 -0.18 0.08 0.00 0.00 0.00 175.76 175.24 2ayy s VAL 762 N -3.71 2.75 -0.38 0.00 1.01 -0.53 -2.07 120.40 117.47 2ayy s VAL 762 Ca 0.02 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.01 2ayy s VAL 762 Cb 0.01 -2.10 0.12 0.00 0.00 0.00 0.00 36.38 34.41 2ayy s VAL 762 CO -0.12 0.47 0.15 -0.69 0.00 0.00 0.00 175.10 174.92 2ayy s VAL 763 N -0.80 1.43 -0.15 2.92 1.01 0.09 -0.58 120.40 124.32 2ayy s VAL 763 Ca 0.13 -2.14 -0.05 0.00 0.00 0.00 0.00 61.98 59.92 2ayy s VAL 763 Cb -0.10 -2.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 2ayy s VAL 763 CO 0.02 -0.76 0.02 -0.89 0.00 0.00 0.00 175.10 173.50 2ayy s THR 764 N 0.88 4.43 -0.43 3.92 2.01 -0.08 -0.69 115.64 125.67 2ayy s THR 764 Ca 0.14 -0.17 -0.16 0.00 0.31 0.00 0.00 61.69 61.80 2ayy s THR 764 Cb -0.21 -2.94 0.03 0.00 0.01 0.00 0.00 72.50 69.39 2ayy s THR 764 CO -0.11 0.51 0.38 -0.36 -0.69 0.00 0.00 174.62 174.36 2ayy s PHE 765 N -0.02 3.21 -0.03 4.92 0.40 0.18 -2.04 117.98 124.60 2ayy s PHE 765 Ca 0.04 -0.57 -0.17 0.00 -0.60 0.00 0.00 56.93 55.62 2ayy s PHE 765 Cb -0.13 -2.85 0.03 0.00 0.51 0.00 0.00 43.02 40.59 2ayy s PHE 765 CO 0.02 -0.69 0.37 0.00 0.70 0.00 0.00 175.22 175.62 2ayy n ARG 767 N 1.35 0.00 -2.61 0.00 1.74 -1.26 -4.13 116.66 111.75 2ayy n ARG 767 Ca -0.20 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.44 2ayy n ARG 767 Cb 0.56 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.00 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 -0.22 3.48 -3.73 5.56 5.12 -1.26 -4.90 116.66 120.71 2ayy n ARG 768 Ca 0.00 -3.65 -0.12 0.00 -1.93 0.00 0.00 57.85 52.15 2ayy n ARG 768 Cb 0.00 -3.01 -0.11 0.00 -1.16 0.00 0.00 32.46 28.19 2ayy n ARG 768 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ayy s HIS 769 N 1.11 -0.46 -0.01 -1.55 2.46 -1.26 -5.05 115.29 110.54 2ayy s HIS 769 Ca 0.42 1.06 0.02 0.00 0.47 0.00 0.00 55.06 57.03 2ayy s HIS 769 Cb 0.04 0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.62 2ayy s HIS 769 CO 0.00 -0.24 0.04 -0.89 -2.47 0.00 0.00 174.74 171.18 2ayy n ILE 770 N 3.45 0.04 -0.24 0.89 5.41 -1.26 -4.72 119.36 122.92 2ayy n ILE 770 Ca -0.18 -0.07 0.09 0.00 1.00 0.00 0.00 62.75 63.60 2ayy n ILE 770 Cb 0.56 0.12 0.36 0.00 -0.71 0.00 0.00 39.64 39.97 2ayy n ILE 770 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 2ayy h GLY 771 N 0.46 1.12 -5.74 7.39 0.00 -1.98 -3.39 103.07 100.92 2ayy h GLY 771 Ca -0.01 -0.31 -0.65 0.00 0.00 0.00 0.00 47.33 46.36 2ayy h GLY 771 CO 0.00 0.16 -0.58 -0.42 0.00 0.00 0.00 176.54 175.70 2ayy s ILE 772 N -5.70 4.69 -0.07 2.60 1.01 -1.26 -4.83 121.20 117.64 2ayy s ILE 772 Ca -0.10 -0.09 -0.31 0.00 0.00 0.00 0.00 60.65 60.16 2ayy s ILE 772 Cb 0.21 -3.05 -0.09 0.00 0.01 0.00 0.00 42.46 39.54 2ayy s ILE 772 CO 0.78 0.54 2.03 -0.81 0.00 0.00 0.00 174.94 177.48 2ayy n PRO 773 N 2.83 2.41 -2.50 2.79 -0.04 -1.26 -4.90 135.00 134.33 2ayy n PRO 773 Ca -0.18 0.84 -0.43 0.00 -0.04 0.00 0.00 63.50 63.69 2ayy n PRO 773 Cb 0.53 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 2ayy n PRO 773 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2ayy n LEU 774 N 8.45 6.30 0.00 1.53 -0.00 -1.26 -4.75 117.00 127.27 2ayy n LEU 774 Ca 0.24 -4.61 0.00 0.00 -0.00 0.00 0.00 56.01 51.64 2ayy n LEU 774 Cb 0.38 -1.51 0.00 0.00 -0.00 0.00 0.00 43.42 42.29 2ayy n LEU 774 CO 0.69 1.23 0.00 1.21 -0.00 0.00 0.00 177.39 180.52 2ayy n GLU 775 N 4.25 0.00 -2.00 1.47 2.13 -1.26 -4.84 120.64 120.40 2ayy n GLU 775 Ca 0.39 0.00 -0.14 0.00 0.66 0.00 0.00 57.16 58.07 2ayy n GLU 775 Cb 0.38 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.06 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 13.95 -1.78 -3.61 5.31 4.76 -1.26 -4.85 118.16 130.68 2ayy n LYS 776 Ca 0.00 0.73 -0.02 0.00 -2.87 0.00 0.00 58.31 56.15 2ayy n LYS 776 Cb 0.00 -5.19 -0.06 0.00 -1.84 0.00 0.00 35.03 27.93 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 -2.47 -2.27 -0.62 7.82 0.00 -1.26 -5.10 121.76 117.86 2ayy s ALA 777 Ca 0.00 2.22 -0.26 0.00 0.00 0.00 0.00 51.96 53.92 2ayy s ALA 777 Cb 0.00 -1.72 -0.09 0.00 0.00 0.00 0.00 23.12 21.31 2ayy s ALA 777 CO 0.00 -0.47 2.35 -2.14 0.00 0.00 0.00 175.76 175.50 2ayy s PRO 778 N 1.61 1.99 0.00 0.00 0.02 -1.26 -1.63 135.00 135.73 2ayy s PRO 778 Ca -0.08 0.96 0.00 0.00 0.02 0.00 0.00 61.00 61.90 2ayy s PRO 778 Cb -0.05 -4.66 0.00 0.00 0.02 0.00 0.00 34.50 29.82 2ayy s PRO 778 CO -0.16 -3.64 0.00 0.41 -0.33 0.00 0.00 177.00 173.28 2ayy n GLY 779 N 6.29 0.68 3.31 0.52 0.00 -1.26 -5.12 105.19 109.61 2ayy n GLY 779 Ca 0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.09 2ayy n GLY 779 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ayy s GLU 780 N 0.00 2.42 0.12 1.61 0.41 -0.65 -1.45 118.70 121.17 2ayy s GLU 780 Ca 0.00 -0.88 0.08 0.00 -0.41 0.00 0.00 54.97 53.76 2ayy s GLU 780 Cb 0.00 -2.16 -0.04 0.00 -1.78 0.00 0.00 34.13 30.15 2ayy s GLU 780 CO 0.00 0.47 -0.20 -1.58 -0.49 0.00 0.00 175.26 173.46 2ayy s TRP 781 N -0.37 1.80 0.01 1.61 0.52 0.25 -4.13 118.94 118.63 2ayy s TRP 781 Ca 0.03 -0.43 -0.10 0.00 0.02 0.00 0.00 56.10 55.62 2ayy s TRP 781 Cb -0.12 -0.96 0.01 0.00 -1.15 0.00 0.00 33.47 31.25 2ayy s TRP 781 CO 0.02 0.24 0.19 0.54 0.02 0.00 0.00 176.95 177.97 2ayy s VAL 782 N -1.44 0.08 0.18 4.03 0.11 -1.25 -0.90 120.40 121.21 2ayy s VAL 782 Ca 0.09 -0.68 -0.24 0.00 -2.93 0.00 0.00 61.98 58.23 2ayy s VAL 782 Cb -0.09 -0.58 0.06 0.00 -1.53 0.00 0.00 36.38 34.24 2ayy s VAL 782 CO 0.05 -0.37 0.76 -2.28 -3.33 0.00 0.00 175.10 169.93 2ayy s HIS 783 N -1.61 -0.30 0.15 1.54 2.46 -0.87 -4.97 115.29 111.68 2ayy s HIS 783 Ca -0.13 -0.01 -0.30 0.00 0.47 0.00 0.00 55.06 55.10 2ayy s HIS 783 Cb -0.06 0.63 -0.07 0.00 -0.13 0.00 0.00 32.58 32.95 2ayy s HIS 783 CO 0.01 -0.94 1.23 -1.54 -2.47 0.00 0.00 174.74 171.03 2ayy s SER 784 N -2.81 7.04 -1.14 9.88 1.04 -1.26 -0.89 113.70 125.56 2ayy s SER 784 Ca 0.07 2.20 -0.11 0.00 0.48 0.00 0.00 55.95 58.60 2ayy s SER 784 Cb -0.03 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.43 2ayy s SER 784 CO -0.02 -0.44 2.31 0.52 0.98 0.00 0.00 173.24 176.59 2ayy n VAL 785 N 3.05 2.94 -0.71 5.02 0.31 -1.26 -3.74 118.33 123.94 2ayy n VAL 785 Ca 0.06 -1.96 0.00 0.00 -0.01 0.00 0.00 64.34 62.43 2ayy n VAL 785 Cb 0.45 -2.35 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 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 4.87 0.00 -3.56 3.52 0.00 -1.26 -5.07 120.51 119.01 2ayy n ALA 786 Ca 0.55 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.88 2ayy n ALA 786 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 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 0.00 -1.22 -2.05 0.00 0.00 -1.25 -5.01 121.76 112.23 2ayy s ALA 787 Ca 0.00 1.59 0.16 0.00 0.00 0.00 0.00 51.96 53.71 2ayy s ALA 787 Cb 0.00 -0.94 0.46 0.00 0.00 0.00 0.00 23.12 22.64 2ayy s ALA 787 CO 0.00 -0.27 1.38 -0.35 0.00 0.00 0.00 175.76 176.53 2ayy n PRO 788 N 3.69 2.14 0.17 0.00 -0.04 -1.26 -4.47 135.00 135.23 2ayy n PRO 788 Ca -0.19 -1.76 0.06 0.00 -0.04 0.00 0.00 63.50 61.57 2ayy n PRO 788 Cb 0.56 -1.39 0.13 0.00 -0.04 0.00 0.00 33.50 32.76 2ayy n PRO 788 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 2ayy h HIS 789 N 2.93 0.00 0.00 0.54 2.07 -1.99 -3.26 115.15 115.44 2ayy h HIS 789 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2ayy h HIS 789 Cb 0.67 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.65 2ayy h HIS 789 CO 0.31 0.35 -0.51 -0.85 -3.07 0.00 0.00 177.93 174.16 2ayy n GLU 790 N -3.22 3.43 0.37 5.12 0.00 -1.26 -4.66 120.64 120.41 2ayy n GLU 790 Ca 0.02 -0.00 -0.16 0.00 0.00 0.00 0.00 57.16 57.03 2ayy n GLU 790 Cb 0.64 -1.01 -0.08 0.00 0.00 0.00 0.00 31.44 31.00 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 0.00 -0.82 -1.11 -1.84 6.46 -1.81 0.03 115.31 116.23 2ayy h LEU 791 Ca 0.00 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.72 2ayy h LEU 791 Cb 0.26 0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 2ayy h LEU 791 CO 0.00 -0.45 0.02 -0.65 -0.62 0.00 0.00 178.44 176.74 2ayy h PRO 792 N -1.22 0.65 -0.65 5.25 0.11 -1.86 -1.30 132.00 132.99 2ayy h PRO 792 Ca -0.10 -0.15 -0.09 0.00 0.11 0.00 0.00 66.00 65.78 2ayy h PRO 792 Cb 0.75 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 2ayy h PRO 792 CO 0.16 0.65 0.07 0.00 -0.21 0.00 0.00 178.00 178.68 2ayy h ALA 793 N 1.41 0.90 -0.38 -0.75 0.00 -1.82 -0.90 119.26 117.72 2ayy h ALA 793 Ca 0.13 -0.29 -0.16 0.00 0.00 0.00 0.00 54.91 54.60 2ayy h ALA 793 Cb 0.36 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2ayy h ALA 793 CO 0.01 0.67 -0.38 1.25 0.00 0.00 0.00 179.25 180.80 2ayy h LEU 794 N 1.01 0.99 -0.68 0.00 5.85 -0.56 -0.43 115.31 121.49 2ayy h LEU 794 Ca 0.19 -0.45 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 2ayy h LEU 794 Cb 0.48 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 2ayy h LEU 794 CO 0.02 1.25 0.41 0.25 -0.34 0.00 0.00 178.44 180.02 2ayy h LEU 795 N 0.76 0.81 -1.14 2.25 7.12 -1.07 0.41 115.31 124.45 2ayy h LEU 795 Ca 0.06 -0.06 -0.08 0.00 0.13 0.00 0.00 57.88 57.94 2ayy h LEU 795 Cb 0.97 -0.20 -0.01 0.00 -0.53 0.00 0.00 40.66 40.88 2ayy h LEU 795 CO 0.09 0.63 -0.22 0.00 -0.13 0.00 0.00 178.44 178.82 2ayy h ALA 796 N 1.21 1.28 -0.25 1.25 0.00 -1.00 -0.99 119.26 120.77 2ayy h ALA 796 Ca 0.24 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2ayy h ALA 796 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2ayy h ALA 796 CO -0.05 0.48 -0.03 -0.09 0.00 0.00 0.00 179.25 179.56 2ayy h ARG 797 N 0.31 0.47 -0.42 0.00 2.43 -0.30 0.45 114.38 117.31 2ayy h ARG 797 Ca 0.05 -0.16 -0.04 0.00 -0.81 0.00 0.00 59.98 59.02 2ayy h ARG 797 Cb 0.56 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2ayy h ARG 797 CO 0.04 0.66 0.10 0.82 -1.51 0.00 0.00 179.97 180.08 2ayy h ILE 798 N 0.23 1.23 0.00 1.20 2.04 -0.68 -2.56 117.51 118.98 2ayy h ILE 798 Ca 0.07 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2ayy h ILE 798 Cb 0.47 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 37.50 2ayy h ILE 798 CO 0.02 0.28 0.00 -1.22 0.00 0.00 0.00 178.15 177.23 2ayy n TYR 799 N -4.53 0.00 -3.45 1.37 4.01 -0.40 -4.89 117.16 109.27 2ayy n TYR 799 Ca -0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 2ayy n TYR 799 Cb 0.21 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.32 2ayy n TYR 799 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 2ayy n LEU 800 N -0.84 -4.03 -0.01 7.72 7.94 -0.93 -4.98 117.00 121.88 2ayy n LEU 800 Ca 0.16 -0.65 -0.00 0.00 -1.11 0.00 0.00 56.01 54.41 2ayy n LEU 800 Cb 0.07 -3.08 -0.00 0.00 0.53 0.00 0.00 43.42 40.94 2ayy n LEU 800 CO 0.12 0.37 -0.03 0.40 -1.11 0.00 0.00 177.39 177.14 2ayy h ILE 801 N -1.85 0.00 0.00 1.96 1.08 -0.36 -3.50 117.51 114.85 2ayy h ILE 801 Ca -0.59 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 2ayy h ILE 801 Cb 1.34 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.09 2ayy h ILE 801 CO 0.50 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 179.17 2ayy n GLU 802 N -2.59 0.00 -1.74 2.37 2.13 -1.25 -5.06 120.64 114.50 2ayy n GLU 802 Ca -0.01 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.39 2ayy n GLU 802 Cb 0.02 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.70 2ayy n GLU 802 CO 0.00 0.00 0.00 -1.64 -0.41 0.00 0.00 177.13 175.08 2ayy s MET 803 N -1.46 4.09 -0.17 5.31 -1.94 -1.26 -4.93 119.30 118.95 2ayy s MET 803 Ca 0.00 2.49 -0.08 0.00 -1.71 0.00 0.00 55.69 56.38 2ayy s MET 803 Cb 0.00 -4.14 -0.05 0.00 2.01 0.00 0.00 34.83 32.66 2ayy s MET 803 CO 0.00 -1.00 0.12 -2.00 -0.01 0.00 0.00 175.02 172.13 2ayy s GLU 804 N 4.49 3.87 -0.65 2.03 2.56 -1.26 -2.64 118.70 127.10 2ayy s GLU 804 Ca 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 54.97 55.61 2ayy s GLU 804 Cb -0.40 -3.30 0.16 0.00 2.00 0.00 0.00 34.13 32.59 2ayy s GLU 804 CO 0.39 0.48 0.46 -1.54 -0.56 0.00 0.00 175.26 174.49 2ayy s SER 805 N -0.17 5.16 0.02 -1.70 1.04 -1.26 -4.98 113.70 111.81 2ayy s SER 805 Ca 0.10 -3.03 0.01 0.00 0.48 0.00 0.00 55.95 53.51 2ayy s SER 805 Cb -0.11 -1.82 -0.04 0.00 0.10 0.00 0.00 66.02 64.15 2ayy s SER 805 CO 0.00 -0.31 0.07 -0.62 0.98 0.00 0.00 173.24 173.36 2ayy s ASP 806 N 0.34 5.54 -0.12 7.02 2.15 -1.26 -4.99 116.67 125.35 2ayy s ASP 806 Ca 0.19 0.07 -0.01 0.00 0.43 0.00 0.00 52.55 53.23 2ayy s ASP 806 Cb -0.19 -1.54 0.03 0.00 -0.30 0.00 0.00 42.92 40.92 2ayy s ASP 806 CO -0.04 0.24 -0.05 -0.62 -0.17 0.00 0.00 175.17 174.53 2ayy s ASP 807 N -1.93 2.21 -0.53 -0.34 2.15 -1.26 -5.09 116.67 111.88 2ayy s ASP 807 Ca 0.25 -0.35 -0.27 0.00 0.43 0.00 0.00 52.55 52.60 2ayy s ASP 807 Cb -0.12 -0.75 -0.02 0.00 -0.30 0.00 0.00 42.92 41.73 2ayy s ASP 807 CO 0.16 -0.16 1.81 -2.84 -0.17 0.00 0.00 175.17 173.97 2ayy s PRO 808 N 1.76 2.87 0.27 4.34 0.02 -1.26 -4.99 135.00 138.02 2ayy s PRO 808 Ca 0.04 0.83 0.07 0.00 0.02 0.00 0.00 61.00 61.96 2ayy s PRO 808 Cb -0.13 -4.31 -0.04 0.00 0.02 0.00 0.00 34.50 30.04 2ayy s PRO 808 CO -0.07 -2.43 0.19 0.00 -0.33 0.00 0.00 177.00 174.35 2ayy s ALA 809 N 8.26 3.58 -0.05 -1.55 0.00 -1.26 -5.13 121.76 125.62 2ayy s ALA 809 Ca 0.70 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2ayy s ALA 809 Cb -0.15 -1.20 0.02 0.00 0.00 0.00 0.00 23.12 21.79 2ayy s ALA 809 CO 0.25 0.20 -0.03 1.21 0.00 0.00 0.00 175.76 177.39 2ayy s ASN 810 N -3.85 1.00 -0.20 0.00 2.47 -1.26 -5.13 114.94 107.97 2ayy s ASN 810 Ca 0.34 -0.11 -0.04 0.00 0.42 0.00 0.00 52.86 53.47 2ayy s ASN 810 Cb -0.07 -0.43 -0.02 0.00 -1.45 0.00 0.00 41.25 39.28 2ayy s ASN 810 CO 0.25 -0.08 -0.03 0.00 -3.72 0.00 0.00 177.10 173.52 2ayy s ALA 811 N 1.10 2.93 -0.22 1.71 0.00 -1.26 -5.09 121.76 120.93 2ayy s ALA 811 Ca -0.08 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.79 2ayy s ALA 811 Cb -0.14 -1.68 -0.03 0.00 0.00 0.00 0.00 23.12 21.26 2ayy s ALA 811 CO -0.01 -0.15 0.06 -0.51 0.00 0.00 0.00 175.76 175.15 2ayy s LEU 812 N 1.01 3.58 0.47 0.00 1.43 -1.26 -5.09 118.68 118.83 2ayy s LEU 812 Ca 0.01 -0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 52.79 2ayy s LEU 812 Cb -0.14 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 2ayy s LEU 812 CO 0.01 0.06 1.22 -2.84 0.23 0.00 0.00 176.35 175.03 2ayy s PRO 813 N 1.05 3.63 -0.11 1.29 0.02 -1.26 -5.04 135.00 134.58 2ayy s PRO 813 Ca 0.04 1.91 -0.04 0.00 0.02 0.00 0.00 61.00 62.94 2ayy s PRO 813 Cb -0.14 -2.40 -0.03 0.00 0.02 0.00 0.00 34.50 31.94 2ayy s PRO 813 CO 0.03 -0.69 0.02 -1.12 -0.33 0.00 0.00 177.00 174.91 2ayy s SER 814 N -1.21 5.38 -0.44 2.53 0.01 -1.26 -5.06 113.70 113.65 2ayy s SER 814 Ca 0.65 0.14 -0.28 0.00 1.31 0.00 0.00 55.95 57.77 2ayy s SER 814 Cb -0.32 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.25 2ayy s SER 814 CO 0.39 0.33 1.66 -0.89 0.41 0.00 0.00 173.24 175.13 2ayy s THR 815 N -0.56 3.60 0.00 1.44 2.01 -1.26 -5.37 115.64 115.51 2ayy s THR 815 Ca 0.10 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.66 2ayy s THR 815 Cb -0.12 -3.96 0.00 0.00 0.01 0.00 0.00 72.50 68.43 2ayy s THR 815 CO 0.02 -0.71 0.10 -0.67 -0.69 0.00 0.00 174.62 172.67