#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 0.84 3.01 3.03 0.00 -1.26 -5.11 105.19 105.71 2ayy n GLY 697 Ca 0.00 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.91 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 2.08 -0.15 -0.02 0.00 -1.26 -5.09 107.32 102.88 2ayy s GLY 698 Ca 0.00 -2.73 -0.05 0.00 0.00 0.00 0.00 44.72 41.94 2ayy s GLY 698 CO 0.00 0.97 0.03 -1.35 0.00 0.00 0.00 173.10 172.74 2ayy s SER 699 N 0.69 5.36 -0.14 1.64 1.04 -1.26 -5.10 113.70 115.93 2ayy s SER 699 Ca 0.12 0.06 -0.10 0.00 0.48 0.00 0.00 55.95 56.52 2ayy s SER 699 Cb -0.21 -1.80 0.04 0.00 0.10 0.00 0.00 66.02 64.15 2ayy s SER 699 CO -0.06 0.24 0.34 -0.83 0.98 0.00 0.00 173.24 173.91 2ayy s GLY 700 N -0.02 -0.26 -0.18 7.32 0.00 -1.26 -5.14 107.32 107.78 2ayy s GLY 700 Ca 0.04 1.16 -0.05 0.00 0.00 0.00 0.00 44.72 45.87 2ayy s GLY 700 CO 0.02 1.21 0.01 0.14 0.00 0.00 0.00 173.10 174.48 2ayy s VAL 701 N 0.82 4.19 0.04 1.40 1.01 -1.26 -5.10 120.40 121.50 2ayy s VAL 701 Ca -0.05 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.70 2ayy s VAL 701 Cb -0.06 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2ayy s VAL 701 CO -0.06 0.45 0.07 -1.61 0.00 0.00 0.00 175.10 173.95 2ayy s GLU 702 N 0.66 2.94 -0.56 2.72 2.02 -1.26 -5.08 118.70 120.15 2ayy s GLU 702 Ca 0.00 -0.60 -0.11 0.00 0.02 0.00 0.00 54.97 54.28 2ayy s GLU 702 Cb -0.14 -2.77 0.14 0.00 0.10 0.00 0.00 34.13 31.46 2ayy s GLU 702 CO 0.02 0.61 0.47 0.20 0.02 0.00 0.00 175.26 176.57 2ayy s GLY 703 N -2.02 2.19 -0.46 -1.39 0.00 -1.26 -5.04 107.32 99.35 2ayy s GLY 703 Ca 0.25 -2.72 -0.28 0.00 0.00 0.00 0.00 44.72 41.97 2ayy s GLY 703 CO 0.17 1.16 1.10 1.08 0.00 0.00 0.00 173.10 176.61 2ayy s LEU 704 N 1.14 3.72 0.19 0.66 2.01 -1.26 -5.01 118.68 120.13 2ayy s LEU 704 Ca 0.08 0.47 0.08 0.00 0.01 0.00 0.00 54.13 54.77 2ayy s LEU 704 Cb -0.24 -3.49 -0.04 0.00 0.01 0.00 0.00 46.19 42.42 2ayy s LEU 704 CO -0.01 -1.18 -0.16 -0.94 1.01 0.00 0.00 176.35 175.06 2ayy s SER 705 N 2.35 2.64 0.00 2.29 1.04 -1.26 -5.13 113.70 115.63 2ayy s SER 705 Ca 0.46 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.94 2ayy s SER 705 Cb -0.08 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.89 2ayy s SER 705 CO 0.29 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.02 2ayy n GLY 706 N -0.08 -0.02 3.86 7.32 0.00 -1.26 -5.11 105.19 109.90 2ayy n GLY 706 Ca -0.10 0.75 -0.31 0.00 0.00 0.00 0.00 46.02 46.36 2ayy n GLY 706 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ayy s LYS 707 N 0.00 3.86 0.09 1.61 -2.85 -1.25 -4.91 119.74 116.27 2ayy s LYS 707 Ca 0.00 0.75 0.09 0.00 -1.00 0.00 0.00 55.97 55.81 2ayy s LYS 707 Cb 0.00 -2.23 -0.03 0.00 -2.06 0.00 0.00 37.83 33.51 2ayy s LYS 707 CO 0.00 -0.20 -0.23 1.03 0.10 0.00 0.00 175.35 176.04 2ayy s ARG 708 N -4.07 1.36 -0.05 1.78 1.81 -1.26 -0.94 118.95 117.58 2ayy s ARG 708 Ca 0.56 -1.15 -0.04 0.00 -1.72 0.00 0.00 55.73 53.38 2ayy s ARG 708 Cb -0.10 -1.64 0.02 0.00 -0.45 0.00 0.00 34.95 32.78 2ayy s ARG 708 CO 0.33 0.40 0.13 0.00 -0.68 0.00 0.00 175.30 175.48 2ayy s TRP 710 N 0.28 3.00 -0.09 0.00 0.52 -0.47 -0.83 118.94 121.35 2ayy s TRP 710 Ca -0.02 0.06 0.03 0.00 0.02 0.00 0.00 56.10 56.20 2ayy s TRP 710 Cb -0.03 -1.70 0.01 0.00 -1.15 0.00 0.00 33.47 30.59 2ayy s TRP 710 CO -0.01 0.39 -0.19 -0.51 0.02 0.00 0.00 176.95 176.65 2ayy s LEU 711 N -1.07 1.91 -0.51 2.99 1.02 0.28 -0.63 118.68 122.67 2ayy s LEU 711 Ca 0.15 -0.46 0.07 0.00 0.02 0.00 0.00 54.13 53.91 2ayy s LEU 711 Cb -0.11 -1.18 0.35 0.00 0.02 0.00 0.00 46.19 45.26 2ayy s LEU 711 CO 0.04 0.10 0.89 0.00 0.02 0.00 0.00 176.35 177.40 2ayy n ALA 712 N 3.69 3.88 -3.50 4.21 0.00 0.35 -0.82 120.51 128.31 2ayy n ALA 712 Ca -0.20 -4.28 -0.35 0.00 0.00 0.00 0.00 53.44 48.60 2ayy n ALA 712 Cb 0.52 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 19.05 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 -3.88 3.34 -1.11 0.00 1.01 -1.26 -2.61 120.40 115.90 2ayy s VAL 713 Ca 0.46 -0.73 0.29 0.00 0.00 0.00 0.00 61.98 62.00 2ayy s VAL 713 Cb 0.31 -2.63 0.31 0.00 0.00 0.00 0.00 36.38 34.37 2ayy s VAL 713 CO -0.12 0.26 1.96 0.54 0.00 0.00 0.00 175.10 177.74 2ayy n ARG 714 N 4.77 0.11 -2.53 2.72 5.12 -1.26 -4.59 116.66 121.00 2ayy n ARG 714 Ca -0.17 -0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.35 2ayy n ARG 714 Cb 0.49 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.26 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 -2.89 6.35 0.19 0.55 0.01 -1.26 -4.86 114.94 113.03 2ayy s ASN 715 Ca 0.18 -1.14 -0.11 0.00 -0.71 0.00 0.00 52.86 51.07 2ayy s ASN 715 Cb 0.19 -2.57 0.20 0.00 0.41 0.00 0.00 41.25 39.49 2ayy s ASN 715 CO 0.51 -1.65 1.77 0.00 -1.51 0.00 0.00 177.10 176.23 2ayy h ALA 716 N 9.97 0.74 -0.55 0.60 0.00 -1.99 0.30 119.26 128.33 2ayy h ALA 716 Ca 0.07 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2ayy h ALA 716 Cb 1.02 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2ayy h ALA 716 CO 1.38 -0.11 0.26 0.77 0.00 0.00 0.00 179.25 181.56 2ayy h SER 717 N 0.49 0.72 -0.06 0.00 0.02 -1.97 -0.97 113.55 111.78 2ayy h SER 717 Ca 0.27 -0.13 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2ayy h SER 717 Cb 0.23 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.59 2ayy h SER 717 CO -0.21 0.65 -0.13 0.25 -1.14 0.00 0.00 176.83 176.25 2ayy h LEU 718 N 0.74 0.22 -0.63 5.07 6.46 -1.78 -2.71 115.31 122.68 2ayy h LEU 718 Ca 0.19 -0.57 -0.07 0.00 -0.12 0.00 0.00 57.88 57.31 2ayy h LEU 718 Cb 0.12 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2ayy h LEU 718 CO -0.02 0.75 0.12 0.00 -0.62 0.00 0.00 178.44 178.66 2ayy h GLN 720 N 0.95 0.94 0.09 0.00 5.75 -1.26 0.26 115.11 121.85 2ayy h GLN 720 Ca 0.19 -0.29 -0.00 0.00 -0.15 0.00 0.00 58.65 58.40 2ayy h GLN 720 Cb 0.41 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.87 2ayy h GLN 720 CO 0.01 0.95 -0.04 0.35 -2.65 0.00 0.00 178.83 177.44 2ayy h PHE 721 N 0.82 -0.11 -0.48 3.99 3.57 -1.17 -2.46 116.94 121.11 2ayy h PHE 721 Ca 0.16 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.52 2ayy h PHE 721 Cb 0.50 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 2ayy h PHE 721 CO 0.04 0.05 -0.23 1.37 -2.23 0.00 0.00 178.31 177.31 2ayy h LEU 722 N -0.26 1.03 -0.62 0.59 8.10 -0.97 -2.18 115.31 121.00 2ayy h LEU 722 Ca -0.01 -0.40 -0.11 0.00 0.11 0.00 0.00 57.88 57.46 2ayy h LEU 722 Cb 0.22 -0.28 -0.02 0.00 -0.44 0.00 0.00 40.66 40.14 2ayy h LEU 722 CO 0.02 1.20 -0.13 1.05 -4.11 0.00 0.00 178.44 176.47 2ayy h GLU 723 N 0.85 0.95 -0.16 0.17 4.11 -0.95 0.26 114.58 119.81 2ayy h GLU 723 Ca 0.11 -0.35 -0.02 0.00 0.07 0.00 0.00 59.36 59.16 2ayy h GLU 723 Cb 0.81 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2ayy h GLU 723 CO 0.07 1.02 0.00 1.15 0.07 0.00 0.00 179.01 181.32 2ayy h THR 724 N 0.84 1.25 -0.79 -1.06 2.02 -1.39 -2.19 112.91 111.59 2ayy h THR 724 Ca 0.13 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 66.50 2ayy h THR 724 Cb 0.68 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 2ayy h THR 724 CO 0.05 0.24 0.52 0.28 0.37 0.00 0.00 175.52 176.98 2ayy h SER 725 N 0.02 0.91 0.12 4.18 0.02 -1.22 -2.45 113.55 115.12 2ayy h SER 725 Ca 0.04 -0.02 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 2ayy h SER 725 Cb 0.36 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2ayy h SER 725 CO 0.01 0.66 -0.25 0.25 -1.14 0.00 0.00 176.83 176.35 2ayy h LEU 726 N 1.07 0.23 -2.00 5.07 5.85 -0.87 -2.74 115.31 121.92 2ayy h LEU 726 Ca 0.29 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 2ayy h LEU 726 Cb -0.12 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.84 2ayy h LEU 726 CO -0.06 0.49 -0.10 1.56 -0.34 0.00 0.00 178.44 179.99 2ayy h GLN 727 N 0.21 0.00 0.00 1.25 1.08 -0.89 -0.49 115.11 116.27 2ayy h GLN 727 Ca 0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2ayy h GLN 727 Cb 0.57 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.00 2ayy h GLN 727 CO 0.04 0.10 0.00 0.54 -0.95 0.00 0.00 178.83 178.56 2ayy n ARG 728 N -3.81 0.12 0.00 1.46 3.00 -1.03 -1.30 116.66 115.10 2ayy n ARG 728 Ca -0.02 0.21 0.12 0.00 -0.01 0.00 0.00 57.85 58.15 2ayy n ARG 728 Cb 0.20 -1.50 0.14 0.00 0.00 0.00 0.00 32.46 31.30 2ayy n ARG 728 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2ayy n SER 729 N -1.33 2.70 -0.35 0.55 2.88 -0.19 -4.95 113.62 112.93 2ayy n SER 729 Ca 0.05 -1.88 0.00 0.00 -1.33 0.00 0.00 58.87 55.71 2ayy n SER 729 Cb 0.09 0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 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 1.34 0.79 3.44 0.46 0.00 -0.42 -5.03 105.19 105.76 2ayy n GLY 730 Ca 0.14 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.70 3.27 -0.24 -0.61 1.01 -1.25 -3.92 121.20 116.75 2ayy s ILE 731 Ca 0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 2ayy s ILE 731 Cb 0.00 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.08 2ayy s ILE 731 CO 0.00 0.54 0.59 0.54 0.00 0.00 0.00 174.94 176.61 2ayy s VAL 732 N 0.03 5.02 -0.10 2.92 0.11 -0.12 -4.46 120.40 123.81 2ayy s VAL 732 Ca -0.03 1.06 -0.10 0.00 -2.93 0.00 0.00 61.98 59.97 2ayy s VAL 732 Cb -0.14 -3.90 -0.05 0.00 -1.53 0.00 0.00 36.38 30.76 2ayy s VAL 732 CO 0.04 0.07 0.23 0.68 -3.33 0.00 0.00 175.10 172.78 2ayy s VAL 733 N 2.27 5.35 0.03 2.04 -7.23 -1.26 -1.95 120.40 119.66 2ayy s VAL 733 Ca 0.25 0.41 0.03 0.00 -1.81 0.00 0.00 61.98 60.85 2ayy s VAL 733 Cb -0.16 -3.51 -0.02 0.00 0.56 0.00 0.00 36.38 33.25 2ayy s VAL 733 CO 0.09 0.57 -0.08 -0.89 -0.31 0.00 0.00 175.10 174.47 2ayy s THR 734 N -0.75 0.63 0.00 5.32 2.01 -0.01 -4.97 115.64 117.88 2ayy s THR 734 Ca 0.17 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 2ayy s THR 734 Cb -0.13 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 2ayy s THR 734 CO 0.06 -0.16 1.08 -0.89 -0.69 0.00 0.00 174.62 174.02 2ayy s THR 735 N -0.92 4.50 -0.28 -0.82 2.01 -1.26 -0.56 115.64 118.32 2ayy s THR 735 Ca -0.04 1.80 -0.21 0.00 0.31 0.00 0.00 61.69 63.54 2ayy s THR 735 Cb -0.07 -4.15 -0.01 0.00 0.01 0.00 0.00 72.50 68.27 2ayy s THR 735 CO 0.00 0.11 0.67 -0.47 -0.69 0.00 0.00 174.62 174.24 2ayy s TYR 736 N 1.29 3.25 -0.02 4.92 5.04 -0.00 -4.82 117.35 127.00 2ayy s TYR 736 Ca 0.54 0.78 -0.01 0.00 -2.44 0.00 0.00 57.07 55.94 2ayy s TYR 736 Cb -0.24 -2.96 -0.01 0.00 0.35 0.00 0.00 41.96 39.10 2ayy s TYR 736 CO 0.27 -0.41 -0.03 0.39 -1.34 0.00 0.00 175.55 174.43 2ayy n GLU 737 N 5.86 0.05 -1.54 4.97 1.02 -1.26 -4.65 120.64 125.09 2ayy n GLU 737 Ca 0.00 0.02 -0.01 0.00 -0.02 0.00 0.00 57.16 57.16 2ayy n GLU 737 Cb 0.49 -0.74 0.02 0.00 -0.02 0.00 0.00 31.44 31.18 2ayy n GLU 737 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ayy n GLY 738 N 3.04 -0.33 3.96 0.62 0.00 -1.26 -5.16 105.19 106.06 2ayy n GLY 738 Ca -0.04 -0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2ayy n GLY 738 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ayy s GLN 739 N 0.02 2.27 -0.07 1.61 1.11 -1.26 -5.06 119.66 118.28 2ayy s GLN 739 Ca 0.02 -0.67 -0.25 0.00 0.01 0.00 0.00 55.36 54.47 2ayy s GLN 739 Cb 0.08 -2.36 -0.03 0.00 -1.01 0.00 0.00 33.01 29.69 2ayy s GLN 739 CO -0.02 -1.02 0.76 -1.21 0.01 0.00 0.00 175.29 173.81 2ayy s GLU 740 N -4.99 4.44 0.12 2.91 8.01 -1.26 -5.02 118.70 122.90 2ayy s GLU 740 Ca 0.60 0.98 -0.31 0.00 0.01 0.00 0.00 54.97 56.24 2ayy s GLU 740 Cb -0.10 -3.47 -0.08 0.00 -4.31 0.00 0.00 34.13 26.18 2ayy s GLU 740 CO 0.41 -0.01 1.43 -2.14 0.01 0.00 0.00 175.26 174.97 2ayy s PRO 741 N 1.01 4.29 -0.07 0.39 0.02 -1.26 -5.03 135.00 134.35 2ayy s PRO 741 Ca 0.40 2.13 -0.03 0.00 0.02 0.00 0.00 61.00 63.52 2ayy s PRO 741 Cb -0.18 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.04 2ayy s PRO 741 CO 0.19 -0.49 0.06 0.99 -0.33 0.00 0.00 177.00 177.42 2ayy s THR 742 N 1.24 4.76 -2.00 0.99 2.01 -1.26 -4.47 115.64 116.91 2ayy s THR 742 Ca 0.66 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.52 2ayy s THR 742 Cb -0.38 -3.07 0.07 0.00 0.01 0.00 0.00 72.50 69.12 2ayy s THR 742 CO 0.30 0.54 0.56 -0.81 -0.69 0.00 0.00 174.62 174.52 2ayy n PRO 743 N 1.83 0.41 -0.00 4.92 -0.04 -1.26 -1.55 135.00 139.31 2ayy n PRO 743 Ca -0.17 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.32 2ayy n PRO 743 Cb 0.54 -1.09 -0.05 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.59 3.55 -4.41 0.54 1.02 -1.26 -3.64 120.64 115.85 2ayy n GLU 744 Ca 0.02 -0.02 -0.25 0.00 -0.02 0.00 0.00 57.16 56.89 2ayy n GLU 744 Cb 0.01 -0.94 -0.09 0.00 -0.02 0.00 0.00 31.44 30.40 2ayy n GLU 744 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2ayy s ASP 745 N -1.99 4.04 0.06 1.62 -4.77 -0.59 -4.56 116.67 110.49 2ayy s ASP 745 Ca 0.02 -1.12 0.06 0.00 -3.30 0.00 0.00 52.55 48.21 2ayy s ASP 745 Cb 0.06 -0.46 -0.03 0.00 -1.09 0.00 0.00 42.92 41.40 2ayy s ASP 745 CO 0.32 -0.30 -0.17 0.68 0.70 0.00 0.00 175.17 176.41 2ayy s VAL 746 N -2.58 1.36 -0.58 2.11 -7.23 -1.26 -1.21 120.40 111.02 2ayy s VAL 746 Ca 0.35 -1.25 -0.19 0.00 -1.81 0.00 0.00 61.98 59.08 2ayy s VAL 746 Cb 0.03 -1.24 0.10 0.00 0.56 0.00 0.00 36.38 35.82 2ayy s VAL 746 CO 0.19 -0.04 0.68 -0.22 -0.31 0.00 0.00 175.10 175.40 2ayy s LEU 747 N -1.50 5.37 -0.52 1.32 0.20 -1.00 -1.37 118.68 121.19 2ayy s LEU 747 Ca 0.03 -1.38 -0.24 0.00 0.69 0.00 0.00 54.13 53.22 2ayy s LEU 747 Cb -0.09 -2.31 0.04 0.00 -0.43 0.00 0.00 46.19 43.39 2ayy s LEU 747 CO 0.02 -1.07 0.92 -0.63 -0.29 0.00 0.00 176.35 175.31 2ayy s ILE 748 N 2.62 4.43 0.22 6.68 1.01 0.20 -0.73 121.20 135.64 2ayy s ILE 748 Ca 0.11 0.42 0.11 0.00 0.00 0.00 0.00 60.65 61.29 2ayy s ILE 748 Cb -0.24 -4.49 -0.05 0.00 0.01 0.00 0.00 42.46 37.69 2ayy s ILE 748 CO 0.07 -1.00 -0.21 -0.89 0.00 0.00 0.00 174.94 172.91 2ayy s THR 749 N 3.84 2.26 -0.09 2.92 2.01 0.11 -0.50 115.64 126.18 2ayy s THR 749 Ca 0.32 -2.17 0.04 0.00 0.31 0.00 0.00 61.69 60.19 2ayy s THR 749 Cb -0.12 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.25 2ayy s THR 749 CO 0.21 -0.29 -0.23 1.51 -0.69 0.00 0.00 174.62 175.13 2ayy s ASP 750 N -3.04 3.21 0.54 3.53 -4.77 -1.07 -0.61 116.67 114.46 2ayy s ASP 750 Ca 0.23 -0.51 0.00 0.00 -3.30 0.00 0.00 52.55 48.97 2ayy s ASP 750 Cb -0.06 -1.29 0.00 0.00 -1.09 0.00 0.00 42.92 40.48 2ayy s ASP 750 CO 0.11 0.18 0.00 -0.62 0.70 0.00 0.00 175.17 175.54 2ayy n GLU 751 N 3.37 0.00 -2.90 2.11 -0.58 0.05 -4.57 120.64 118.11 2ayy n GLU 751 Ca -0.18 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.14 2ayy n GLU 751 Cb 0.53 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.35 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 0.00 4.77 0.00 2.62 1.01 -1.26 -4.76 120.40 122.78 2ayy s VAL 752 Ca 0.00 1.30 0.00 0.00 0.00 0.00 0.00 61.98 63.28 2ayy s VAL 752 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 2ayy s VAL 752 CO 0.00 -0.24 0.00 0.52 0.00 0.00 0.00 175.10 175.38 2ayy n VAL 753 N 5.52 0.00 -2.26 2.92 0.31 -1.26 -5.02 118.33 118.54 2ayy n VAL 753 Ca 0.05 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.17 2ayy n VAL 753 Cb 0.48 -0.47 -0.02 0.00 -0.91 0.00 0.00 33.84 32.92 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 -1.92 -5.79 -3.78 4.52 7.64 -1.26 -4.97 113.62 108.06 2ayy n SER 754 Ca 0.00 0.08 -0.27 0.00 1.01 0.00 0.00 58.87 59.69 2ayy n SER 754 Cb 0.00 -4.87 -0.17 0.00 -1.01 0.00 0.00 64.21 58.16 2ayy n SER 754 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2ayy s LYS 755 N -4.82 0.83 -0.41 1.43 2.20 -1.26 -5.06 119.74 112.65 2ayy s LYS 755 Ca 0.00 -0.39 -0.29 0.00 -0.36 0.00 0.00 55.97 54.93 2ayy s LYS 755 Cb 0.00 -1.95 0.02 0.00 -1.51 0.00 0.00 37.83 34.39 2ayy s LYS 755 CO 0.00 -0.56 1.18 0.15 -0.36 0.00 0.00 175.35 175.76 2ayy s LYS 756 N 1.81 3.82 0.09 4.03 -0.14 -1.26 -5.00 119.74 123.09 2ayy s LYS 756 Ca -0.00 0.83 -0.23 0.00 -1.36 0.00 0.00 55.97 55.21 2ayy s LYS 756 Cb -0.16 -3.87 -0.07 0.00 -1.68 0.00 0.00 37.83 32.05 2ayy s LYS 756 CO -0.07 -1.25 0.70 -0.46 -0.76 0.00 0.00 175.35 173.51 2ayy s TRP 757 N 4.36 3.81 0.00 3.18 -0.11 -1.26 -5.05 118.94 123.88 2ayy s TRP 757 Ca 0.50 1.45 0.00 0.00 1.22 0.00 0.00 56.10 59.27 2ayy s TRP 757 Cb -0.10 -2.69 0.00 0.00 -1.50 0.00 0.00 33.47 29.17 2ayy s TRP 757 CO 0.27 0.46 0.00 1.04 -4.62 0.00 0.00 176.95 174.09 2ayy n GLN 758 N 2.05 0.00 0.00 5.86 3.00 -1.26 -4.71 117.38 122.32 2ayy n GLN 758 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 2ayy n GLN 758 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.74 2ayy n GLN 758 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2ayy n GLY 759 N 3.65 2.46 0.09 1.08 0.00 -1.26 -3.51 105.19 107.70 2ayy n GLY 759 Ca 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -2.00 1.61 9.65 -1.13 -3.39 114.38 119.12 2ayy h ARG 760 Ca 0.00 0.00 0.22 0.00 -1.10 0.00 0.00 59.98 59.10 2ayy h ARG 760 Cb 0.00 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.47 2ayy h ARG 760 CO 0.00 0.99 0.61 0.00 2.80 0.00 0.00 179.97 184.37 2ayy s ALA 761 N -2.31 -1.88 -0.08 2.80 0.00 -1.23 -4.90 121.76 114.16 2ayy s ALA 761 Ca -0.25 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.27 2ayy s ALA 761 Cb 0.02 0.47 -0.02 0.00 0.00 0.00 0.00 23.12 23.59 2ayy s ALA 761 CO 0.63 -0.96 -0.15 0.08 0.00 0.00 0.00 175.76 175.35 2ayy s VAL 762 N -2.94 2.93 -0.54 0.00 1.01 -0.98 -2.37 120.40 117.50 2ayy s VAL 762 Ca 0.12 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 2ayy s VAL 762 Cb 0.01 -2.17 0.14 0.00 0.00 0.00 0.00 36.38 34.36 2ayy s VAL 762 CO -0.02 0.56 0.34 -0.69 0.00 0.00 0.00 175.10 175.30 2ayy s VAL 763 N -0.26 3.50 -0.51 2.92 1.01 0.10 -0.64 120.40 126.52 2ayy s VAL 763 Ca 0.01 -2.64 -0.16 0.00 0.00 0.00 0.00 61.98 59.19 2ayy s VAL 763 Cb -0.13 -3.33 0.10 0.00 0.00 0.00 0.00 36.38 33.02 2ayy s VAL 763 CO 0.03 -0.80 0.47 0.42 0.00 0.00 0.00 175.10 175.21 2ayy s THR 764 N 0.38 5.18 -1.15 3.92 -4.23 -0.05 -0.72 115.64 118.98 2ayy s THR 764 Ca 0.14 -1.20 -0.17 0.00 -1.18 0.00 0.00 61.69 59.28 2ayy s THR 764 Cb -0.21 -4.24 0.13 0.00 1.34 0.00 0.00 72.50 69.51 2ayy s THR 764 CO -0.04 -0.74 1.43 -0.36 -0.54 0.00 0.00 174.62 174.37 2ayy s PHE 765 N 1.75 3.19 -0.04 3.99 0.40 0.22 -2.52 117.98 124.97 2ayy s PHE 765 Ca 0.05 -1.76 0.04 0.00 -0.60 0.00 0.00 56.93 54.66 2ayy s PHE 765 Cb -0.26 -4.43 -0.03 0.00 0.51 0.00 0.00 43.02 38.81 2ayy s PHE 765 CO 0.05 -1.55 -0.16 0.00 0.70 0.00 0.00 175.22 174.26 2ayy n ARG 767 N 2.32 2.30 -2.68 0.00 1.85 -1.26 -3.16 116.66 116.02 2ayy n ARG 767 Ca -0.17 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.61 2ayy n ARG 767 Cb 0.52 -1.23 0.08 0.00 -1.05 0.00 0.00 32.46 30.78 2ayy n ARG 767 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2ayy n ARG 768 N -2.38 1.19 -3.15 2.89 3.00 -1.26 -4.98 116.66 111.96 2ayy n ARG 768 Ca -0.15 -2.47 0.05 0.00 -0.01 0.00 0.00 57.85 55.26 2ayy n ARG 768 Cb 0.78 -0.59 -0.01 0.00 0.00 0.00 0.00 32.46 32.65 2ayy n ARG 768 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2ayy s HIS 769 N -1.35 -1.27 -1.17 -1.55 2.46 -1.26 -5.08 115.29 106.07 2ayy s HIS 769 Ca 0.24 1.06 -0.09 0.00 0.47 0.00 0.00 55.06 56.74 2ayy s HIS 769 Cb 0.43 0.34 0.24 0.00 -0.13 0.00 0.00 32.58 33.45 2ayy s HIS 769 CO -0.03 -0.72 1.48 -0.89 -2.47 0.00 0.00 174.74 172.11 2ayy n ILE 770 N 5.39 4.66 0.02 0.89 5.41 -1.26 -4.67 119.36 129.79 2ayy n ILE 770 Ca 0.01 -5.15 -0.19 0.00 1.00 0.00 0.00 62.75 58.43 2ayy n ILE 770 Cb 0.54 -2.36 -0.14 0.00 -0.71 0.00 0.00 39.64 36.96 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 7.31 0.26 -5.24 7.39 0.00 -1.98 -3.46 103.07 107.34 2ayy h GLY 771 Ca 0.27 -0.67 -0.67 0.00 0.00 0.00 0.00 47.33 46.26 2ayy h GLY 771 CO 1.31 0.59 -0.58 -0.42 0.00 0.00 0.00 176.54 177.44 2ayy s ILE 772 N -2.58 4.69 -0.49 2.60 -1.09 -1.26 -4.61 121.20 118.46 2ayy s ILE 772 Ca -0.16 -0.23 -0.46 0.00 -2.23 0.00 0.00 60.65 57.56 2ayy s ILE 772 Cb 0.07 -3.05 -0.20 0.00 -1.58 0.00 0.00 42.46 37.70 2ayy s ILE 772 CO 0.80 0.51 1.67 -2.65 -1.23 0.00 0.00 174.94 174.04 2ayy n PRO 773 N 1.73 0.05 -1.67 2.79 -0.02 -1.26 -4.78 135.00 131.84 2ayy n PRO 773 Ca -0.17 0.02 -0.42 0.00 -2.02 0.00 0.00 63.50 60.91 2ayy n PRO 773 Cb 0.53 -1.53 -0.01 0.00 -0.02 0.00 0.00 33.50 32.48 2ayy n PRO 773 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 2ayy n LEU 774 N 4.46 6.55 0.00 2.45 -0.00 -1.26 -4.79 117.00 124.41 2ayy n LEU 774 Ca 0.34 -4.00 0.00 0.00 -0.00 0.00 0.00 56.01 52.35 2ayy n LEU 774 Cb -0.05 -1.60 0.00 0.00 -0.00 0.00 0.00 43.42 41.77 2ayy n LEU 774 CO 0.89 0.94 0.00 1.21 -0.00 0.00 0.00 177.39 180.43 2ayy n GLU 775 N 6.21 0.00 -3.46 1.47 2.13 -1.25 -4.79 120.64 120.95 2ayy n GLU 775 Ca 0.52 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 58.09 2ayy n GLU 775 Cb 0.39 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.10 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 -3.78 -3.64 5.31 4.76 -1.26 -4.86 118.16 128.69 2ayy n LYS 776 Ca 0.00 0.52 -0.07 0.00 -2.87 0.00 0.00 58.31 55.90 2ayy n LYS 776 Cb 0.00 -5.27 -0.07 0.00 -1.84 0.00 0.00 35.03 27.85 2ayy n LYS 776 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2ayy s ALA 777 N -3.02 -2.06 0.00 7.82 0.00 -1.26 -5.04 121.76 118.19 2ayy s ALA 777 Ca 0.45 1.78 0.00 0.00 0.00 0.00 0.00 51.96 54.19 2ayy s ALA 777 Cb -0.23 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.39 2ayy s ALA 777 CO 0.55 -0.20 1.24 -2.30 0.00 0.00 0.00 175.76 175.06 2ayy n PRO 778 N 1.77 0.68 0.00 0.00 -0.02 -1.26 -2.76 135.00 133.41 2ayy n PRO 778 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2ayy n PRO 778 Cb 0.57 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 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 1.49 0.00 2.88 -1.23 0.00 -1.26 -5.00 105.19 102.06 2ayy n GLY 779 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.74 0.03 -0.09 1.61 -1.05 -1.11 -2.33 118.70 115.03 2ayy s GLU 780 Ca 0.00 0.15 0.03 0.00 -0.15 0.00 0.00 54.97 55.01 2ayy s GLU 780 Cb 0.00 -0.09 -0.01 0.00 -0.44 0.00 0.00 34.13 33.59 2ayy s GLU 780 CO 0.00 -0.08 -0.20 -1.58 0.95 0.00 0.00 175.26 174.35 2ayy s TRP 781 N 0.53 2.61 -0.03 4.83 0.52 0.19 -3.78 118.94 123.82 2ayy s TRP 781 Ca -0.04 -0.67 0.07 0.00 0.02 0.00 0.00 56.10 55.47 2ayy s TRP 781 Cb -0.06 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.55 2ayy s TRP 781 CO -0.02 -0.19 -0.24 0.54 0.02 0.00 0.00 176.95 177.06 2ayy s VAL 782 N -0.00 1.88 -0.10 4.03 0.11 -1.26 -0.87 120.40 124.20 2ayy s VAL 782 Ca -0.06 -1.01 -0.30 0.00 -2.93 0.00 0.00 61.98 57.68 2ayy s VAL 782 Cb -0.15 -1.57 0.08 0.00 -1.53 0.00 0.00 36.38 33.21 2ayy s VAL 782 CO 0.05 0.53 0.74 -2.28 -3.33 0.00 0.00 175.10 170.81 2ayy s HIS 783 N -0.46 -0.63 0.19 1.54 2.46 -1.05 -4.96 115.29 112.39 2ayy s HIS 783 Ca 0.06 1.15 -0.30 0.00 0.47 0.00 0.00 55.06 56.44 2ayy s HIS 783 Cb -0.10 0.40 -0.08 0.00 -0.13 0.00 0.00 32.58 32.67 2ayy s HIS 783 CO 0.00 -0.54 1.11 -1.12 -2.47 0.00 0.00 174.74 171.73 2ayy s SER 784 N -0.97 7.24 0.00 9.88 0.01 -1.19 -0.64 113.70 128.03 2ayy s SER 784 Ca -0.08 2.12 0.12 0.00 1.31 0.00 0.00 55.95 59.43 2ayy s SER 784 Cb -0.01 -2.61 0.65 0.00 0.21 0.00 0.00 66.02 64.27 2ayy s SER 784 CO 0.07 -0.24 1.27 1.33 0.41 0.00 0.00 173.24 176.09 2ayy n VAL 785 N 2.31 0.52 1.05 3.43 0.24 -1.26 -2.37 118.33 122.25 2ayy n VAL 785 Ca 0.03 0.13 0.11 0.00 -2.04 0.00 0.00 64.34 62.57 2ayy n VAL 785 Cb 0.46 -0.93 0.56 0.00 -1.47 0.00 0.00 33.84 32.46 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 -1.22 2.16 -3.79 2.33 0.00 -1.26 -4.29 120.51 114.44 2ayy n ALA 786 Ca 0.07 -0.11 -0.30 0.00 0.00 0.00 0.00 53.44 53.10 2ayy n ALA 786 Cb 0.08 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.59 1.94 -1.17 0.00 0.00 -1.00 -5.05 121.76 113.89 2ayy s ALA 787 Ca 0.21 -2.04 -0.07 0.00 0.00 0.00 0.00 51.96 50.06 2ayy s ALA 787 Cb 0.15 -1.75 0.24 0.00 0.00 0.00 0.00 23.12 21.77 2ayy s ALA 787 CO 0.35 -1.76 1.66 -0.35 0.00 0.00 0.00 175.76 175.66 2ayy n PRO 788 N 4.45 4.09 0.00 0.00 -0.04 -1.26 -4.41 135.00 137.83 2ayy n PRO 788 Ca 0.01 -4.09 0.00 0.00 -0.04 0.00 0.00 63.50 59.38 2ayy n PRO 788 Cb 0.40 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 2ayy n PRO 788 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2ayy n HIS 789 N 2.50 0.00 1.38 0.54 1.44 -1.26 -4.91 115.22 114.91 2ayy n HIS 789 Ca 0.32 0.00 0.14 0.00 -2.01 0.00 0.00 57.72 56.17 2ayy n HIS 789 Cb 0.35 0.00 0.49 0.00 0.12 0.00 0.00 29.99 30.94 2ayy n HIS 789 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2ayy n GLU 790 N -1.29 1.06 0.25 -1.40 0.00 -1.26 -4.33 120.64 113.67 2ayy n GLU 790 Ca 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 57.16 56.43 2ayy n GLU 790 Cb 0.00 -1.49 -0.08 0.00 0.00 0.00 0.00 31.44 29.87 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 1.38 -0.94 -1.67 -1.84 5.85 -1.91 0.07 115.31 116.25 2ayy h LEU 791 Ca 0.00 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 2ayy h LEU 791 Cb 0.46 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 2ayy h LEU 791 CO 0.00 -0.51 -0.19 1.55 -0.34 0.00 0.00 178.44 178.95 2ayy h PRO 792 N -0.77 0.00 -0.23 5.25 0.13 -1.88 -2.61 132.00 131.88 2ayy h PRO 792 Ca -0.04 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 2ayy h PRO 792 Cb 0.68 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2ayy h PRO 792 CO -0.03 0.19 -0.20 0.00 -0.23 0.00 0.00 178.00 177.74 2ayy h ALA 793 N 1.81 0.34 -0.53 -0.56 0.00 -1.67 -1.18 119.26 117.47 2ayy h ALA 793 Ca -0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 2ayy h ALA 793 Cb 0.38 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2ayy h ALA 793 CO 0.02 0.27 0.27 -0.07 0.00 0.00 0.00 179.25 179.75 2ayy h LEU 794 N 0.24 0.67 -0.60 0.00 3.38 -0.80 -1.42 115.31 116.79 2ayy h LEU 794 Ca 0.04 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2ayy h LEU 794 Cb 0.74 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 2ayy h LEU 794 CO 0.05 0.59 0.31 -0.07 0.09 0.00 0.00 178.44 179.41 2ayy h LEU 795 N 0.70 0.76 -0.50 1.67 4.07 -1.41 -0.91 115.31 119.70 2ayy h LEU 795 Ca 0.18 -0.11 0.02 0.00 0.08 0.00 0.00 57.88 58.05 2ayy h LEU 795 Cb 0.08 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 2ayy h LEU 795 CO -0.03 0.66 0.31 0.00 -1.08 0.00 0.00 178.44 178.30 2ayy h ALA 796 N 1.14 0.64 -0.73 1.53 0.00 -0.95 -0.24 119.26 120.65 2ayy h ALA 796 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 2ayy h ALA 796 Cb 0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2ayy h ALA 796 CO -0.03 0.03 0.46 -0.09 0.00 0.00 0.00 179.25 179.62 2ayy h ARG 797 N 0.62 0.88 -0.71 0.00 2.43 -0.79 0.43 114.38 117.24 2ayy h ARG 797 Ca 0.20 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 2ayy h ARG 797 Cb -0.01 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.31 2ayy h ARG 797 CO -0.07 0.58 0.32 0.82 -1.51 0.00 0.00 179.97 180.10 2ayy h ILE 798 N 0.90 1.23 -0.17 1.20 2.04 -0.63 -2.10 117.51 119.99 2ayy h ILE 798 Ca 0.29 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2ayy h ILE 798 Cb 0.01 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 2ayy h ILE 798 CO -0.11 0.28 0.00 -1.22 0.00 0.00 0.00 178.15 177.11 2ayy n TYR 799 N -4.32 0.28 -2.37 1.37 4.01 -0.15 -4.86 117.16 111.12 2ayy n TYR 799 Ca 0.07 -0.13 -0.16 0.00 -0.16 0.00 0.00 57.90 57.51 2ayy n TYR 799 Cb 0.15 -0.03 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.04 -1.83 -4.87 7.72 7.99 -0.78 -5.00 117.00 120.28 2ayy n LEU 800 Ca 0.06 -0.04 -0.35 0.00 -0.01 0.00 0.00 56.01 55.67 2ayy n LEU 800 Cb 0.20 -2.41 -0.05 0.00 -0.11 0.00 0.00 43.42 41.05 2ayy n LEU 800 CO 0.05 -0.13 0.05 -0.63 -1.51 0.00 0.00 177.39 175.22 2ayy s ILE 801 N -2.84 5.13 -0.05 -0.08 -1.09 0.14 -5.00 121.20 117.41 2ayy s ILE 801 Ca 0.03 0.40 -0.11 0.00 -2.23 0.00 0.00 60.65 58.74 2ayy s ILE 801 Cb -0.01 -3.63 -0.06 0.00 -1.58 0.00 0.00 42.46 37.17 2ayy s ILE 801 CO 0.04 0.30 0.46 -0.33 -1.23 0.00 0.00 174.94 174.17 2ayy h GLU 802 N 3.74 -0.37 0.00 2.79 4.39 -1.95 -3.33 114.58 119.85 2ayy h GLU 802 Ca -0.49 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2ayy h GLU 802 Cb 1.19 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 2ayy h GLU 802 CO 0.66 -0.25 0.00 -0.12 -1.16 0.00 0.00 179.01 178.15 2ayy n MET 803 N -4.85 0.00 -4.67 2.33 1.56 -1.26 -4.56 117.12 105.68 2ayy n MET 803 Ca -0.05 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.07 2ayy n MET 803 Cb 0.15 0.00 -0.13 0.00 2.15 0.00 0.00 33.22 35.40 2ayy n MET 803 CO 0.00 0.00 0.00 -2.00 -0.73 0.00 0.00 175.97 173.24 2ayy s GLU 804 N 0.00 2.12 0.00 2.12 2.56 -1.26 -5.01 118.70 119.23 2ayy s GLU 804 Ca 0.00 -0.95 0.10 0.00 0.00 0.00 0.00 54.97 54.11 2ayy s GLU 804 Cb 0.00 -2.21 0.23 0.00 2.00 0.00 0.00 34.13 34.15 2ayy s GLU 804 CO 0.00 0.55 1.12 0.43 -0.56 0.00 0.00 175.26 176.80 2ayy n SER 805 N 1.59 2.58 -3.80 -1.70 7.64 -1.26 -5.00 113.62 113.67 2ayy n SER 805 Ca -0.16 -1.85 -0.12 0.00 1.01 0.00 0.00 58.87 57.75 2ayy n SER 805 Cb 0.52 -0.16 -0.08 0.00 -1.01 0.00 0.00 64.21 63.48 2ayy n SER 805 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2ayy s ASP 806 N -0.96 -0.07 -0.01 6.43 2.15 -1.26 -5.16 116.67 117.79 2ayy s ASP 806 Ca 0.19 -0.16 -0.01 0.00 0.43 0.00 0.00 52.55 52.99 2ayy s ASP 806 Cb 0.10 0.29 0.01 0.00 -0.30 0.00 0.00 42.92 43.02 2ayy s ASP 806 CO 0.14 -0.50 0.03 1.51 -0.17 0.00 0.00 175.17 176.18 2ayy s ASP 807 N -1.73 -0.02 -0.32 -0.34 -4.77 -1.26 -5.13 116.67 103.09 2ayy s ASP 807 Ca -0.09 0.07 -0.22 0.00 -3.30 0.00 0.00 52.55 49.00 2ayy s ASP 807 Cb -0.03 0.05 0.00 0.00 -1.09 0.00 0.00 42.92 41.85 2ayy s ASP 807 CO -0.00 -0.03 0.73 -2.16 0.70 0.00 0.00 175.17 174.41 2ayy s PRO 808 N 0.16 3.87 0.13 2.11 0.04 -1.26 -5.06 135.00 134.99 2ayy s PRO 808 Ca -0.01 0.39 -0.05 0.00 0.04 0.00 0.00 61.00 61.37 2ayy s PRO 808 Cb -0.02 -3.76 -0.05 0.00 0.04 0.00 0.00 34.50 30.71 2ayy s PRO 808 CO -0.00 -0.70 0.37 0.00 0.04 0.00 0.00 177.00 176.71 2ayy s ALA 809 N 2.88 3.79 -0.26 8.56 0.00 -1.26 -5.09 121.76 130.38 2ayy s ALA 809 Ca 0.29 -0.55 -0.06 0.00 0.00 0.00 0.00 51.96 51.65 2ayy s ALA 809 Cb -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2ayy s ALA 809 CO 0.14 0.66 0.03 1.21 0.00 0.00 0.00 175.76 177.80 2ayy s ASN 810 N -2.32 4.84 -0.40 0.00 2.47 -1.26 -5.07 114.94 113.20 2ayy s ASN 810 Ca 0.39 -0.57 -0.18 0.00 0.42 0.00 0.00 52.86 52.92 2ayy s ASN 810 Cb -0.12 -1.83 0.01 0.00 -1.45 0.00 0.00 41.25 37.86 2ayy s ASN 810 CO 0.23 -0.12 0.51 0.00 -3.72 0.00 0.00 177.10 174.01 2ayy s ALA 811 N 1.49 3.42 -0.35 1.71 0.00 -1.26 -5.02 121.76 121.76 2ayy s ALA 811 Ca 0.04 -1.27 -0.00 0.00 0.00 0.00 0.00 51.96 50.72 2ayy s ALA 811 Cb -0.16 -3.10 0.11 0.00 0.00 0.00 0.00 23.12 19.97 2ayy s ALA 811 CO 0.00 -1.51 0.15 -0.51 0.00 0.00 0.00 175.76 173.89 2ayy s LEU 812 N 2.39 2.07 -0.56 0.00 2.01 -1.26 -5.09 118.68 118.25 2ayy s LEU 812 Ca 0.17 -1.93 -0.27 0.00 0.01 0.00 0.00 54.13 52.11 2ayy s LEU 812 Cb -0.16 -0.81 -0.00 0.00 0.01 0.00 0.00 46.19 45.23 2ayy s LEU 812 CO 0.15 -0.37 1.62 -2.16 1.01 0.00 0.00 176.35 176.61 2ayy s PRO 813 N 1.27 3.05 -1.17 1.29 0.04 -1.26 -4.91 135.00 133.31 2ayy s PRO 813 Ca 0.13 0.60 -0.05 0.00 0.04 0.00 0.00 61.00 61.72 2ayy s PRO 813 Cb -0.20 -4.24 0.24 0.00 0.04 0.00 0.00 34.50 30.35 2ayy s PRO 813 CO -0.17 -2.23 1.86 0.43 0.04 0.00 0.00 177.00 176.93 2ayy n SER 814 N 10.83 6.71 -0.98 6.66 7.64 -1.26 -4.73 113.62 138.49 2ayy n SER 814 Ca 0.16 -3.35 0.06 0.00 1.01 0.00 0.00 58.87 56.74 2ayy n SER 814 Cb 0.50 -1.31 0.20 0.00 -1.01 0.00 0.00 64.21 62.59 2ayy n SER 814 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2ayy n THR 815 N 1.53 0.96 -0.33 0.44 -2.24 -1.26 -5.37 114.28 108.01 2ayy n THR 815 Ca 0.42 -0.65 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2ayy n THR 815 Cb 0.30 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 2ayy n THR 815 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60