#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 4.21 3.20 3.03 0.00 -1.26 -5.09 105.19 109.29 2ayy n GLY 697 Ca 0.00 -1.27 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 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 1.79 -0.77 -0.02 0.00 -1.26 -5.04 107.32 102.02 2ayy s GLY 698 Ca 0.00 -1.78 -0.25 0.00 0.00 0.00 0.00 44.72 42.68 2ayy s GLY 698 CO 0.00 0.73 2.01 -1.35 0.00 0.00 0.00 173.10 174.49 2ayy s SER 699 N 1.32 4.99 -1.02 1.64 1.04 -1.26 -4.90 113.70 115.51 2ayy s SER 699 Ca -0.04 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.07 2ayy s SER 699 Cb -0.20 -2.54 0.12 0.00 0.10 0.00 0.00 66.02 63.50 2ayy s SER 699 CO 0.00 -2.77 1.28 -0.83 0.98 0.00 0.00 173.24 171.90 2ayy s GLY 700 N 8.69 1.90 -0.34 7.32 0.00 -1.26 -4.98 107.32 118.64 2ayy s GLY 700 Ca 0.74 -2.81 -0.26 0.00 0.00 0.00 0.00 44.72 42.38 2ayy s GLY 700 CO 0.09 2.17 0.95 0.14 0.00 0.00 0.00 173.10 176.45 2ayy s VAL 701 N 2.93 4.59 0.60 1.40 1.01 -1.26 -5.03 120.40 124.65 2ayy s VAL 701 Ca 0.38 1.37 -0.11 0.00 0.00 0.00 0.00 61.98 63.62 2ayy s VAL 701 Cb -0.03 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2ayy s VAL 701 CO -0.07 -0.47 1.01 -0.70 0.00 0.00 0.00 175.10 174.87 2ayy s GLU 702 N 3.45 3.61 -0.20 2.72 -6.30 -1.26 -5.08 118.70 115.64 2ayy s GLU 702 Ca 0.39 0.72 -0.07 0.00 -2.50 0.00 0.00 54.97 53.52 2ayy s GLU 702 Cb -0.12 -2.10 0.09 0.00 0.00 0.00 0.00 34.13 31.99 2ayy s GLU 702 CO 0.17 -0.53 0.43 0.20 0.02 0.00 0.00 175.26 175.54 2ayy s GLY 703 N -4.12 -0.37 0.24 -1.50 0.00 -1.26 -5.16 107.32 95.14 2ayy s GLY 703 Ca 0.55 1.53 0.04 0.00 0.00 0.00 0.00 44.72 46.84 2ayy s GLY 703 CO 0.52 2.40 0.00 0.48 0.00 0.00 0.00 173.10 176.50 2ayy s LEU 704 N 2.56 2.18 -0.20 0.66 -0.00 -1.26 -5.15 118.68 117.46 2ayy s LEU 704 Ca -0.02 -1.23 -0.13 0.00 -0.00 0.00 0.00 54.13 52.75 2ayy s LEU 704 Cb -0.12 -0.27 0.06 0.00 -0.00 0.00 0.00 46.19 45.86 2ayy s LEU 704 CO -0.13 -0.52 0.49 -0.94 -0.00 0.00 0.00 176.35 175.25 2ayy s SER 705 N -3.31 -0.60 0.43 1.48 1.04 -1.26 -5.17 113.70 106.30 2ayy s SER 705 Ca 0.29 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.76 2ayy s SER 705 Cb 0.06 0.95 0.00 0.00 0.10 0.00 0.00 66.02 67.13 2ayy s SER 705 CO 0.09 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2ayy n GLY 706 N 3.91 0.23 3.83 7.32 0.00 -1.26 -5.07 105.19 114.16 2ayy n GLY 706 Ca -0.20 -1.85 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.61 4.11 -0.26 1.61 -0.14 -1.26 -4.87 119.74 117.32 2ayy s LYS 707 Ca 0.00 0.70 -0.09 0.00 -1.36 0.00 0.00 55.97 55.22 2ayy s LYS 707 Cb 0.00 -2.80 -0.04 0.00 -1.68 0.00 0.00 37.83 33.31 2ayy s LYS 707 CO 0.00 0.37 0.12 1.03 -0.76 0.00 0.00 175.35 176.11 2ayy s ARG 708 N -2.20 3.81 -0.29 1.68 0.52 -1.26 -0.74 118.95 120.46 2ayy s ARG 708 Ca 0.44 -0.40 -0.08 0.00 -0.52 0.00 0.00 55.73 55.18 2ayy s ARG 708 Cb -0.15 -3.47 -0.00 0.00 0.52 0.00 0.00 34.95 31.85 2ayy s ARG 708 CO 0.20 -0.15 0.10 0.00 0.02 0.00 0.00 175.30 175.47 2ayy s TRP 710 N 1.55 3.08 -0.13 0.00 0.52 -0.94 -0.80 118.94 122.22 2ayy s TRP 710 Ca 0.04 0.06 -0.01 0.00 0.02 0.00 0.00 56.10 56.21 2ayy s TRP 710 Cb -0.17 -3.33 -0.02 0.00 -1.15 0.00 0.00 33.47 28.80 2ayy s TRP 710 CO 0.04 -0.82 -0.11 -0.48 0.02 0.00 0.00 176.95 175.60 2ayy s LEU 711 N 2.84 2.86 -0.45 2.99 2.34 -0.48 -0.96 118.68 127.82 2ayy s LEU 711 Ca 0.24 -0.26 0.06 0.00 0.06 0.00 0.00 54.13 54.23 2ayy s LEU 711 Cb -0.14 -1.65 0.41 0.00 -0.56 0.00 0.00 46.19 44.25 2ayy s LEU 711 CO 0.18 0.18 1.06 0.00 -1.06 0.00 0.00 176.35 176.72 2ayy n ALA 712 N 3.41 4.83 -2.64 1.48 0.00 0.44 -1.25 120.51 126.78 2ayy n ALA 712 Ca -0.18 -4.29 -0.40 0.00 0.00 0.00 0.00 53.44 48.57 2ayy n ALA 712 Cb 0.53 -0.61 -0.07 0.00 0.00 0.00 0.00 19.45 19.30 2ayy n ALA 712 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ayy s VAL 713 N -5.12 5.03 -0.82 0.00 1.01 -1.26 -2.33 120.40 116.91 2ayy s VAL 713 Ca 0.46 1.05 0.24 0.00 0.00 0.00 0.00 61.98 63.74 2ayy s VAL 713 Cb 0.38 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 2ayy s VAL 713 CO -0.16 0.08 1.31 0.54 0.00 0.00 0.00 175.10 176.87 2ayy n ARG 714 N 5.40 0.14 -2.59 2.72 1.74 -1.26 -4.72 116.66 118.09 2ayy n ARG 714 Ca -0.02 0.03 -0.42 0.00 -0.77 0.00 0.00 57.85 56.66 2ayy n ARG 714 Cb 0.49 -1.57 -0.02 0.00 -1.02 0.00 0.00 32.46 30.34 2ayy n ARG 714 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2ayy s ASN 715 N -3.53 6.43 0.14 0.55 3.84 -1.26 -4.92 114.94 116.19 2ayy s ASN 715 Ca 0.08 0.06 -0.19 0.00 0.21 0.00 0.00 52.86 53.02 2ayy s ASN 715 Cb 0.16 -2.55 0.02 0.00 -0.55 0.00 0.00 41.25 38.33 2ayy s ASN 715 CO 0.73 -1.50 1.68 0.00 -2.79 0.00 0.00 177.10 175.21 2ayy h ALA 716 N 9.57 0.12 -0.30 1.71 0.00 -1.99 0.15 119.26 128.52 2ayy h ALA 716 Ca -0.25 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 2ayy h ALA 716 Cb 1.06 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2ayy h ALA 716 CO 1.19 -0.50 0.04 0.66 0.00 0.00 0.00 179.25 180.63 2ayy h SER 717 N -0.05 0.49 -0.10 0.00 4.64 -1.98 -2.42 113.55 114.13 2ayy h SER 717 Ca 0.13 -0.27 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 2ayy h SER 717 Cb 0.26 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2ayy h SER 717 CO -0.30 0.64 0.04 0.25 -0.87 0.00 0.00 176.83 176.59 2ayy h LEU 718 N 0.32 0.14 -1.24 5.97 6.46 -1.89 -2.57 115.31 122.49 2ayy h LEU 718 Ca 0.09 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2ayy h LEU 718 Cb 0.37 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 2ayy h LEU 718 CO 0.01 0.26 0.44 0.00 -0.62 0.00 0.00 178.44 178.52 2ayy h GLN 720 N 0.97 0.51 0.08 0.00 5.75 -1.30 -2.43 115.11 118.69 2ayy h GLN 720 Ca 0.26 -0.24 -0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2ayy h GLN 720 Cb -0.06 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2ayy h GLN 720 CO -0.05 0.79 -0.04 0.35 -2.65 0.00 0.00 178.83 177.23 2ayy h PHE 721 N 0.43 -0.10 -0.28 3.99 3.57 -0.92 -2.75 116.94 120.88 2ayy h PHE 721 Ca 0.05 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2ayy h PHE 721 Cb 0.82 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 2ayy h PHE 721 CO 0.03 0.20 -0.12 1.37 -2.23 0.00 0.00 178.31 177.56 2ayy h LEU 722 N -0.40 0.58 -0.29 0.59 8.10 -1.49 -2.64 115.31 119.77 2ayy h LEU 722 Ca -0.01 -0.40 0.00 0.00 0.11 0.00 0.00 57.88 57.58 2ayy h LEU 722 Cb 0.34 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 2ayy h LEU 722 CO 0.02 0.85 0.19 1.05 -4.11 0.00 0.00 178.44 176.44 2ayy h GLU 723 N 0.31 0.38 -0.25 0.17 -0.00 -1.49 -2.40 114.58 111.30 2ayy h GLU 723 Ca 0.06 -0.02 -0.08 0.00 -0.00 0.00 0.00 59.36 59.32 2ayy h GLU 723 Cb 0.62 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.28 2ayy h GLU 723 CO 0.04 0.25 -0.21 1.15 -0.00 0.00 0.00 179.01 180.24 2ayy h THR 724 N 0.38 1.25 -0.18 -1.06 2.02 -1.51 -0.23 112.91 113.58 2ayy h THR 724 Ca 0.10 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.12 2ayy h THR 724 Cb -0.04 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 2ayy h THR 724 CO -0.02 0.37 0.11 0.28 0.37 0.00 0.00 175.52 176.62 2ayy h SER 725 N 0.40 0.22 1.31 4.18 0.02 -1.06 -3.14 113.55 115.49 2ayy h SER 725 Ca 0.07 -0.06 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2ayy h SER 725 Cb 0.59 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2ayy h SER 725 CO 0.04 0.22 -0.71 0.17 -1.14 0.00 0.00 176.83 175.41 2ayy h LEU 726 N 0.21 0.00 -1.84 5.07 8.10 -1.23 -3.31 115.31 122.31 2ayy h LEU 726 Ca 0.06 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.04 2ayy h LEU 726 Cb 0.04 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.26 2ayy h LEU 726 CO -0.01 0.48 -0.09 1.56 -4.11 0.00 0.00 178.44 176.27 2ayy h GLN 727 N 0.00 0.00 0.00 0.17 4.20 -0.99 -0.77 115.11 117.72 2ayy h GLN 727 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2ayy h GLN 727 Cb 1.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.18 2ayy h GLN 727 CO 0.06 0.09 0.00 0.54 -0.67 0.00 0.00 178.83 178.84 2ayy n ARG 728 N -3.38 0.34 -0.08 1.46 1.74 -1.22 -1.16 116.66 114.36 2ayy n ARG 728 Ca -0.01 0.08 0.12 0.00 -0.77 0.00 0.00 57.85 57.27 2ayy n ARG 728 Cb 0.26 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.18 3.16 0.00 0.55 2.88 -0.29 -4.94 113.62 113.80 2ayy n SER 729 Ca 0.10 -1.98 0.00 0.00 -1.33 0.00 0.00 58.87 55.66 2ayy n SER 729 Cb 0.10 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 1.38 0.74 3.73 0.46 0.00 -0.31 -5.02 105.19 106.17 2ayy n GLY 730 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.08 4.91 -0.25 -0.61 1.01 -1.25 -4.25 121.20 118.69 2ayy s ILE 731 Ca 0.00 1.51 -0.12 0.00 0.00 0.00 0.00 60.65 62.04 2ayy s ILE 731 Cb 0.00 -4.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2ayy s ILE 731 CO 0.00 0.31 0.22 0.54 0.00 0.00 0.00 174.94 176.01 2ayy s VAL 732 N 0.36 5.31 0.04 2.92 0.11 0.08 -4.21 120.40 125.01 2ayy s VAL 732 Ca 0.38 0.28 -0.19 0.00 -2.93 0.00 0.00 61.98 59.51 2ayy s VAL 732 Cb -0.19 -3.56 -0.06 0.00 -1.53 0.00 0.00 36.38 31.04 2ayy s VAL 732 CO 0.20 0.29 0.55 0.68 -3.33 0.00 0.00 175.10 173.49 2ayy s VAL 733 N 1.38 4.83 -0.01 2.04 -7.23 -1.26 -1.19 120.40 118.96 2ayy s VAL 733 Ca 0.09 1.17 -0.00 0.00 -1.81 0.00 0.00 61.98 61.44 2ayy s VAL 733 Cb -0.15 -3.88 0.02 0.00 0.56 0.00 0.00 36.38 32.93 2ayy s VAL 733 CO 0.07 0.52 0.02 -0.89 -0.31 0.00 0.00 175.10 174.51 2ayy s THR 734 N -0.83 -0.03 0.09 5.32 2.01 0.02 -4.92 115.64 117.30 2ayy s THR 734 Ca 0.29 0.12 -0.31 0.00 0.31 0.00 0.00 61.69 62.10 2ayy s THR 734 Cb -0.19 -0.05 -0.09 0.00 0.01 0.00 0.00 72.50 72.18 2ayy s THR 734 CO 0.18 0.05 1.70 -0.89 -0.69 0.00 0.00 174.62 174.97 2ayy s THR 735 N 0.60 2.86 -0.83 -0.82 2.01 -1.26 -1.38 115.64 116.81 2ayy s THR 735 Ca -0.05 0.35 -0.26 0.00 0.31 0.00 0.00 61.69 62.05 2ayy s THR 735 Cb -0.07 -3.23 0.04 0.00 0.01 0.00 0.00 72.50 69.25 2ayy s THR 735 CO -0.02 0.00 1.34 -0.47 -0.69 0.00 0.00 174.62 174.79 2ayy s TYR 736 N 2.59 2.36 -0.24 4.92 5.04 -0.38 -4.76 117.35 126.87 2ayy s TYR 736 Ca 0.76 -0.31 0.06 0.00 -2.44 0.00 0.00 57.07 55.13 2ayy s TYR 736 Cb -0.42 -4.65 -0.18 0.00 0.35 0.00 0.00 41.96 37.06 2ayy s TYR 736 CO 0.33 -2.03 -0.15 0.39 -1.34 0.00 0.00 175.55 172.75 2ayy n GLU 737 N 9.21 0.67 0.00 4.97 1.02 -1.26 -4.66 120.64 130.59 2ayy n GLU 737 Ca 0.13 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 2ayy n GLU 737 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 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 2.18 -1.83 0.00 0.62 0.00 -1.26 -5.18 105.19 99.72 2ayy n GLY 738 Ca -0.42 0.80 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2ayy n GLY 738 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ayy n GLN 739 N 0.00 3.63 -4.73 1.61 3.00 -1.26 -5.13 117.38 114.50 2ayy n GLN 739 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 2ayy n GLN 739 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.11 2ayy n GLN 739 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2ayy s GLU 740 N 2.04 3.13 0.09 -1.09 2.56 -1.26 -5.08 118.70 119.09 2ayy s GLU 740 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 54.97 54.02 2ayy s GLU 740 Cb 0.00 -2.60 -0.10 0.00 2.00 0.00 0.00 34.13 33.43 2ayy s GLU 740 CO 0.00 0.38 1.87 -2.14 -0.56 0.00 0.00 175.26 174.80 2ayy s PRO 741 N -0.07 4.14 -0.11 4.30 0.02 -1.26 -5.00 135.00 137.02 2ayy s PRO 741 Ca -0.01 2.59 -0.01 0.00 0.02 0.00 0.00 61.00 63.58 2ayy s PRO 741 Cb -0.14 -3.78 -0.03 0.00 0.02 0.00 0.00 34.50 30.57 2ayy s PRO 741 CO 0.03 -0.88 -0.05 0.95 -0.33 0.00 0.00 177.00 176.73 2ayy s THR 742 N 3.31 3.83 0.62 0.99 -4.23 -1.26 -4.75 115.64 114.15 2ayy s THR 742 Ca 0.83 -0.41 0.35 0.00 -1.18 0.00 0.00 61.69 61.28 2ayy s THR 742 Cb -0.45 -2.62 0.39 0.00 1.34 0.00 0.00 72.50 71.17 2ayy s THR 742 CO 0.38 0.56 2.30 -0.65 -0.54 0.00 0.00 174.62 176.66 2ayy h PRO 743 N 5.87 0.00 -0.01 3.99 0.11 -1.86 -1.19 132.00 138.93 2ayy h PRO 743 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2ayy h PRO 743 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2ayy h PRO 743 CO 0.57 0.00 -0.52 0.39 -0.21 0.00 0.00 178.00 178.22 2ayy n GLU 744 N -3.57 1.40 -4.02 1.05 -0.58 -1.26 -1.67 120.64 112.00 2ayy n GLU 744 Ca -0.03 -0.62 -0.22 0.00 -0.42 0.00 0.00 57.16 55.87 2ayy n GLU 744 Cb 0.08 -1.35 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 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 -2.29 6.06 0.07 1.62 1.01 -0.45 -4.71 116.67 117.98 2ayy s ASP 745 Ca 0.13 -0.03 0.08 0.00 0.71 0.00 0.00 52.55 53.44 2ayy s ASP 745 Cb 0.14 -1.71 -0.04 0.00 1.01 0.00 0.00 42.92 42.33 2ayy s ASP 745 CO 0.55 -0.05 -0.19 0.68 0.21 0.00 0.00 175.17 176.36 2ayy s VAL 746 N -2.01 2.73 -0.71 -1.27 -7.23 -1.26 -1.01 120.40 109.64 2ayy s VAL 746 Ca 0.34 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 59.06 2ayy s VAL 746 Cb -0.09 -2.18 0.18 0.00 0.56 0.00 0.00 36.38 34.85 2ayy s VAL 746 CO 0.28 0.24 0.60 -0.22 -0.31 0.00 0.00 175.10 175.69 2ayy s LEU 747 N -1.70 6.15 -0.51 1.32 0.20 -0.33 -2.22 118.68 121.60 2ayy s LEU 747 Ca 0.15 -2.58 -0.23 0.00 0.69 0.00 0.00 54.13 52.16 2ayy s LEU 747 Cb -0.10 -2.08 0.04 0.00 -0.43 0.00 0.00 46.19 43.61 2ayy s LEU 747 CO 0.07 -0.55 0.82 -0.63 -0.29 0.00 0.00 176.35 175.76 2ayy s ILE 748 N 0.34 4.59 0.23 6.68 1.01 -0.14 -0.79 121.20 133.12 2ayy s ILE 748 Ca 0.15 0.16 0.11 0.00 0.00 0.00 0.00 60.65 61.07 2ayy s ILE 748 Cb -0.16 -4.41 -0.05 0.00 0.01 0.00 0.00 42.46 37.85 2ayy s ILE 748 CO -0.05 -0.91 -0.21 0.42 0.00 0.00 0.00 174.94 174.18 2ayy s THR 749 N 3.43 2.36 -0.07 2.92 -4.23 0.11 -0.42 115.64 119.73 2ayy s THR 749 Ca 0.27 -2.21 0.03 0.00 -1.18 0.00 0.00 61.69 58.60 2ayy s THR 749 Cb -0.14 -2.19 0.01 0.00 1.34 0.00 0.00 72.50 71.53 2ayy s THR 749 CO 0.19 -0.28 -0.15 -0.62 -0.54 0.00 0.00 174.62 173.23 2ayy s ASP 750 N -3.08 2.03 0.00 3.99 2.15 -0.99 -0.87 116.67 119.91 2ayy s ASP 750 Ca 0.25 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 52.88 2ayy s ASP 750 Cb -0.06 -0.94 0.00 0.00 -0.30 0.00 0.00 42.92 41.62 2ayy s ASP 750 CO 0.12 0.06 0.00 1.21 -0.17 0.00 0.00 175.17 176.39 2ayy n GLU 751 N 3.76 0.00 -4.76 4.34 2.13 -0.48 -4.66 120.64 120.97 2ayy n GLU 751 Ca -0.22 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.34 2ayy n GLU 751 Cb 0.52 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.06 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 1.37 0.01 6.31 1.01 -1.26 -4.87 120.40 122.96 2ayy s VAL 752 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2ayy s VAL 752 Cb 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2ayy s VAL 752 CO 0.00 0.40 0.00 1.33 0.00 0.00 0.00 175.10 176.83 2ayy n VAL 753 N 3.61 0.00 -2.60 2.92 0.24 -1.26 -5.05 118.33 116.19 2ayy n VAL 753 Ca -0.21 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.88 2ayy n VAL 753 Cb 0.52 -0.15 0.01 0.00 -1.47 0.00 0.00 33.84 32.75 2ayy n VAL 753 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2ayy n SER 754 N -2.52 -5.83 -4.77 -1.34 7.64 -1.26 -4.99 113.62 100.55 2ayy n SER 754 Ca 0.00 -0.11 -0.25 0.00 1.01 0.00 0.00 58.87 59.52 2ayy n SER 754 Cb 0.00 -4.78 -0.06 0.00 -1.01 0.00 0.00 64.21 58.36 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 -5.23 2.26 0.13 1.43 2.47 -1.26 -4.84 119.74 114.70 2ayy s LYS 755 Ca 0.10 -1.86 0.07 0.00 -1.56 0.00 0.00 55.97 52.73 2ayy s LYS 755 Cb -0.05 -2.02 -0.04 0.00 -1.46 0.00 0.00 37.83 34.27 2ayy s LYS 755 CO 0.13 -0.19 -0.07 0.15 0.16 0.00 0.00 175.35 175.53 2ayy s LYS 756 N -3.97 2.21 -0.29 4.03 -0.14 -1.26 -4.66 119.74 115.65 2ayy s LYS 756 Ca 0.39 -1.07 0.00 0.00 -1.36 0.00 0.00 55.97 53.93 2ayy s LYS 756 Cb 0.02 -2.31 0.09 0.00 -1.68 0.00 0.00 37.83 33.95 2ayy s LYS 756 CO 0.22 0.49 0.06 -0.46 -0.76 0.00 0.00 175.35 174.90 2ayy s TRP 757 N -1.42 2.07 -1.35 3.18 -0.11 -1.26 -4.91 118.94 115.13 2ayy s TRP 757 Ca 0.24 -1.86 -0.12 0.00 1.22 0.00 0.00 56.10 55.57 2ayy s TRP 757 Cb -0.10 -1.83 0.11 0.00 -1.50 0.00 0.00 33.47 30.15 2ayy s TRP 757 CO 0.15 -0.85 1.98 0.94 -4.62 0.00 0.00 176.95 174.55 2ayy n GLN 758 N 4.75 3.27 0.00 5.86 7.27 -1.26 -4.84 117.38 132.42 2ayy n GLN 758 Ca -0.03 -3.16 0.00 0.00 0.07 0.00 0.00 57.00 53.88 2ayy n GLN 758 Cb 0.43 -3.12 0.00 0.00 2.41 0.00 0.00 30.24 29.96 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 3.60 5.28 0.06 1.69 0.00 -1.26 -3.84 105.19 110.72 2ayy n GLY 759 Ca 0.45 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.01 -1.96 1.61 9.65 -0.14 -3.44 114.38 120.09 2ayy h ARG 760 Ca 0.00 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 2ayy h ARG 760 Cb 0.00 0.00 -0.21 0.00 -1.39 0.00 0.00 29.97 28.38 2ayy h ARG 760 CO 0.00 0.68 0.19 0.00 2.80 0.00 0.00 179.97 183.64 2ayy s ALA 761 N -3.38 -1.79 -0.30 2.80 0.00 -1.24 -4.83 121.76 113.01 2ayy s ALA 761 Ca -0.17 1.75 -0.06 0.00 0.00 0.00 0.00 51.96 53.47 2ayy s ALA 761 Cb -0.00 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.39 2ayy s ALA 761 CO 0.67 -0.34 0.08 0.08 0.00 0.00 0.00 175.76 176.24 2ayy s VAL 762 N -0.26 3.82 -0.44 0.00 1.01 -0.93 -1.18 120.40 122.42 2ayy s VAL 762 Ca -0.04 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.01 2ayy s VAL 762 Cb -0.03 -3.03 0.11 0.00 0.00 0.00 0.00 36.38 33.43 2ayy s VAL 762 CO 0.04 0.01 0.27 -0.69 0.00 0.00 0.00 175.10 174.73 2ayy s VAL 763 N 1.45 3.89 -0.35 2.92 1.01 0.03 -0.30 120.40 129.06 2ayy s VAL 763 Ca 0.01 -1.78 -0.13 0.00 0.00 0.00 0.00 61.98 60.08 2ayy s VAL 763 Cb -0.18 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2ayy s VAL 763 CO 0.02 -0.68 0.26 0.42 0.00 0.00 0.00 175.10 175.12 2ayy s THR 764 N 1.30 5.27 -0.54 3.92 -4.23 -0.22 -0.72 115.64 120.43 2ayy s THR 764 Ca 0.06 -0.24 -0.18 0.00 -1.18 0.00 0.00 61.69 60.15 2ayy s THR 764 Cb -0.24 -3.75 0.09 0.00 1.34 0.00 0.00 72.50 69.94 2ayy s THR 764 CO -0.01 -0.05 0.59 -0.36 -0.54 0.00 0.00 174.62 174.25 2ayy s PHE 765 N 1.75 3.10 0.26 3.99 0.08 -0.04 -1.79 117.98 125.33 2ayy s PHE 765 Ca 0.07 -0.91 -0.07 0.00 0.12 0.00 0.00 56.93 56.14 2ayy s PHE 765 Cb -0.17 -3.70 -0.01 0.00 -0.57 0.00 0.00 43.02 38.56 2ayy s PHE 765 CO 0.11 -1.09 0.38 0.00 -0.10 0.00 0.00 175.22 174.52 2ayy s ARG 767 N -3.83 2.40 -0.95 0.00 3.52 -1.26 -3.59 118.95 115.24 2ayy s ARG 767 Ca 0.29 -2.39 -0.09 0.00 -0.13 0.00 0.00 55.73 53.42 2ayy s ARG 767 Cb 0.01 -3.67 -0.01 0.00 -1.56 0.00 0.00 34.95 29.73 2ayy s ARG 767 CO 0.13 -1.15 0.75 0.54 -0.81 0.00 0.00 175.30 174.76 2ayy n ARG 768 N 3.69 -1.45 -4.95 5.12 1.74 -1.26 -5.00 116.66 114.55 2ayy n ARG 768 Ca 0.05 0.89 -0.27 0.00 -0.77 0.00 0.00 57.85 57.75 2ayy n ARG 768 Cb 0.38 -4.53 -0.16 0.00 -1.02 0.00 0.00 32.46 27.13 2ayy n ARG 768 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2ayy s HIS 769 N -3.23 1.90 0.00 -1.55 2.46 -1.26 -5.14 115.29 108.47 2ayy s HIS 769 Ca 0.24 -0.54 0.00 0.00 0.47 0.00 0.00 55.06 55.23 2ayy s HIS 769 Cb -0.07 -1.27 0.00 0.00 -0.13 0.00 0.00 32.58 31.11 2ayy s HIS 769 CO 0.82 -0.17 0.00 -0.89 -2.47 0.00 0.00 174.74 172.02 2ayy n ILE 770 N 3.07 0.00 0.00 0.89 5.41 -1.26 -4.69 119.36 122.78 2ayy n ILE 770 Ca -0.18 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.57 2ayy n ILE 770 Cb 0.53 -0.83 0.00 0.00 -0.71 0.00 0.00 39.64 38.63 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 5.00 2.22 3.78 7.39 0.00 -1.26 -4.86 105.19 117.46 2ayy n GLY 771 Ca 0.00 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 2ayy n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 772 N -0.35 4.66 -0.67 -0.61 1.09 -1.26 -4.49 121.20 119.57 2ayy s ILE 772 Ca 0.00 -0.51 -0.26 0.00 -1.10 0.00 0.00 60.65 58.78 2ayy s ILE 772 Cb 0.00 -3.16 -0.10 0.00 -1.06 0.00 0.00 42.46 38.14 2ayy s ILE 772 CO 0.00 0.29 2.35 -2.84 -0.10 0.00 0.00 174.94 174.64 2ayy s PRO 773 N -1.91 1.90 -1.49 2.79 0.02 -1.26 -4.85 135.00 130.20 2ayy s PRO 773 Ca 0.25 0.80 -0.10 0.00 0.02 0.00 0.00 61.00 61.97 2ayy s PRO 773 Cb -0.12 -4.70 0.01 0.00 0.02 0.00 0.00 34.50 29.71 2ayy s PRO 773 CO 0.16 -3.84 2.53 1.47 -0.33 0.00 0.00 177.00 176.99 2ayy n LEU 774 N 17.01 7.87 0.00 -5.54 -0.00 -1.26 -4.61 117.00 130.47 2ayy n LEU 774 Ca 0.41 -4.42 0.00 0.00 -0.00 0.00 0.00 56.01 52.00 2ayy n LEU 774 Cb 0.48 -1.55 0.00 0.00 -0.00 0.00 0.00 43.42 42.36 2ayy n LEU 774 CO 0.62 1.71 0.00 1.21 -0.00 0.00 0.00 177.39 180.93 2ayy n GLU 775 N 4.05 0.00 -3.24 1.47 2.13 -1.26 -4.63 120.64 119.17 2ayy n GLU 775 Ca 0.64 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 58.24 2ayy n GLU 775 Cb 0.29 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.01 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 13.65 -3.51 -3.64 5.31 4.76 -1.26 -4.90 118.16 128.55 2ayy n LYS 776 Ca 0.00 0.54 -0.03 0.00 -2.87 0.00 0.00 58.31 55.95 2ayy n LYS 776 Cb 0.00 -5.26 -0.07 0.00 -1.84 0.00 0.00 35.03 27.86 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 -2.94 -2.26 -0.15 7.82 0.00 -1.26 -5.10 121.76 117.87 2ayy s ALA 777 Ca 0.35 1.95 -0.29 0.00 0.00 0.00 0.00 51.96 53.97 2ayy s ALA 777 Cb -0.18 -1.71 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 2ayy s ALA 777 CO 0.43 -0.25 2.05 -1.25 0.00 0.00 0.00 175.76 176.74 2ayy s PRO 778 N 0.67 3.52 0.00 0.00 0.04 -1.26 -1.98 135.00 135.99 2ayy s PRO 778 Ca -0.02 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.15 2ayy s PRO 778 Cb -0.04 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.24 2ayy s PRO 778 CO -0.12 -1.66 0.00 0.41 0.04 0.00 0.00 177.00 175.67 2ayy n GLY 779 N 5.25 1.43 3.59 0.56 0.00 -1.26 -5.11 105.19 109.65 2ayy n GLY 779 Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.02 2ayy n GLY 779 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ayy s GLU 780 N 0.00 2.13 -0.03 1.61 1.03 -0.84 -2.19 118.70 120.41 2ayy s GLU 780 Ca 0.00 -1.37 -0.01 0.00 0.03 0.00 0.00 54.97 53.62 2ayy s GLU 780 Cb 0.00 -2.13 0.03 0.00 -0.80 0.00 0.00 34.13 31.23 2ayy s GLU 780 CO 0.00 0.40 0.07 -1.58 -1.33 0.00 0.00 175.26 172.81 2ayy s TRP 781 N -2.04 -0.03 -0.07 4.83 0.52 0.59 -4.59 118.94 118.14 2ayy s TRP 781 Ca 0.28 0.24 0.04 0.00 0.02 0.00 0.00 56.10 56.68 2ayy s TRP 781 Cb -0.07 -0.18 -0.02 0.00 -1.15 0.00 0.00 33.47 32.05 2ayy s TRP 781 CO 0.17 -0.11 -0.20 0.54 0.02 0.00 0.00 176.95 177.37 2ayy s VAL 782 N 1.07 2.54 -0.03 4.03 0.11 -1.26 -1.05 120.40 125.80 2ayy s VAL 782 Ca -0.09 -0.89 -0.23 0.00 -2.93 0.00 0.00 61.98 57.84 2ayy s VAL 782 Cb -0.12 -1.97 0.05 0.00 -1.53 0.00 0.00 36.38 32.81 2ayy s VAL 782 CO -0.04 0.57 0.50 -2.28 -3.33 0.00 0.00 175.10 170.52 2ayy s HIS 783 N -0.26 -0.43 0.53 1.54 2.46 -0.74 -4.98 115.29 113.41 2ayy s HIS 783 Ca 0.00 0.70 -0.19 0.00 0.47 0.00 0.00 55.06 56.05 2ayy s HIS 783 Cb -0.13 0.26 -0.06 0.00 -0.13 0.00 0.00 32.58 32.52 2ayy s HIS 783 CO 0.03 -0.51 1.06 -1.54 -2.47 0.00 0.00 174.74 171.31 2ayy s SER 784 N -1.27 6.04 -0.73 9.88 1.04 -1.24 -1.01 113.70 126.41 2ayy s SER 784 Ca -0.12 1.94 -0.06 0.00 0.48 0.00 0.00 55.95 58.19 2ayy s SER 784 Cb -0.02 -2.56 -0.12 0.00 0.10 0.00 0.00 66.02 63.42 2ayy s SER 784 CO 0.07 -0.99 2.61 1.33 0.98 0.00 0.00 173.24 177.24 2ayy n VAL 785 N -1.36 2.83 -3.82 5.02 0.24 -1.25 -4.73 118.33 115.25 2ayy n VAL 785 Ca 0.10 -1.60 -0.10 0.00 -2.04 0.00 0.00 64.34 60.70 2ayy n VAL 785 Cb 0.52 -2.15 -0.05 0.00 -1.47 0.00 0.00 33.84 30.69 2ayy n VAL 785 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ayy s ALA 786 N 2.34 -0.58 -0.71 2.33 0.00 -1.26 -4.99 121.76 118.89 2ayy s ALA 786 Ca 0.51 -0.47 -0.02 0.00 0.00 0.00 0.00 51.96 51.98 2ayy s ALA 786 Cb 0.18 0.84 0.00 0.00 0.00 0.00 0.00 23.12 24.14 2ayy s ALA 786 CO -0.03 -0.74 0.68 0.00 0.00 0.00 0.00 175.76 175.67 2ayy n ALA 787 N -0.29 -2.58 0.25 0.00 0.00 -1.26 -4.81 120.51 111.82 2ayy n ALA 787 Ca -0.09 0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.47 2ayy n ALA 787 Cb 0.63 -1.65 0.13 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.70 0.08 0.08 0.00 -0.02 -1.26 -0.67 135.00 131.52 2ayy n PRO 788 Ca -0.02 0.20 -0.09 0.00 -2.02 0.00 0.00 63.50 61.57 2ayy n PRO 788 Cb 0.52 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.47 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 0.00 0.29 0.00 6.00 -0.00 -2.02 -3.32 115.15 116.09 2ayy h HIS 789 Ca 0.00 -0.17 -0.10 0.00 -0.00 0.00 0.00 60.37 60.11 2ayy h HIS 789 Cb 0.04 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 2ayy h HIS 789 CO 0.00 1.00 -0.47 0.93 -0.00 0.00 0.00 177.93 179.39 2ayy h GLU 790 N 0.10 0.00 0.68 5.26 4.39 -1.21 -3.19 114.58 120.61 2ayy h GLU 790 Ca -0.05 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 2ayy h GLU 790 Cb 1.56 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.22 2ayy h GLU 790 CO 0.14 0.47 -0.32 -0.07 -1.16 0.00 0.00 179.01 178.06 2ayy h LEU 791 N 0.00 -0.77 -0.74 1.33 4.07 -1.66 -1.31 115.31 116.23 2ayy h LEU 791 Ca -0.00 0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.85 2ayy h LEU 791 Cb 1.28 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 43.21 2ayy h LEU 791 CO 0.06 -0.43 -0.43 -0.65 -1.08 0.00 0.00 178.44 175.91 2ayy h PRO 792 N -1.16 0.43 -0.38 1.13 0.11 -1.74 -2.71 132.00 127.69 2ayy h PRO 792 Ca -0.09 -0.23 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 2ayy h PRO 792 Cb 0.70 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 2ayy h PRO 792 CO 0.15 0.79 -0.04 0.00 -0.21 0.00 0.00 178.00 178.69 2ayy h ALA 793 N 1.18 1.23 -0.04 -0.75 0.00 -1.62 0.42 119.26 119.67 2ayy h ALA 793 Ca 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 2ayy h ALA 793 Cb 0.91 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ayy h ALA 793 CO 0.08 0.51 0.00 1.25 0.00 0.00 0.00 179.25 181.09 2ayy h LEU 794 N 0.58 0.07 -0.69 0.00 6.46 -1.03 -2.44 115.31 118.27 2ayy h LEU 794 Ca 0.12 -0.30 -0.07 0.00 -0.12 0.00 0.00 57.88 57.50 2ayy h LEU 794 Cb 0.43 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 2ayy h LEU 794 CO 0.02 0.35 0.15 0.25 -0.62 0.00 0.00 178.44 178.59 2ayy h LEU 795 N -0.21 1.06 -1.41 2.25 5.85 -1.24 -2.30 115.31 119.32 2ayy h LEU 795 Ca 0.01 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 2ayy h LEU 795 Cb 0.31 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2ayy h LEU 795 CO 0.00 1.03 0.16 0.00 -0.34 0.00 0.00 178.44 179.29 2ayy h ALA 796 N 1.07 1.54 -0.18 1.25 0.00 -0.91 -1.58 119.26 120.45 2ayy h ALA 796 Ca 0.21 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2ayy h ALA 796 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ayy h ALA 796 CO 0.01 0.36 -0.52 -0.09 0.00 0.00 0.00 179.25 179.01 2ayy h ARG 797 N 0.56 0.52 -0.39 0.00 2.43 -0.93 0.37 114.38 116.92 2ayy h ARG 797 Ca 0.14 -0.31 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 2ayy h ARG 797 Cb 0.11 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2ayy h ARG 797 CO -0.01 0.91 -0.10 0.82 -1.51 0.00 0.00 179.97 180.08 2ayy h ILE 798 N 0.40 1.25 -0.10 1.20 2.04 -0.80 -2.00 117.51 119.50 2ayy h ILE 798 Ca 0.01 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.78 2ayy h ILE 798 Cb 1.05 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.18 2ayy h ILE 798 CO 0.10 0.37 0.00 -1.22 0.00 0.00 0.00 178.15 177.40 2ayy n TYR 799 N -4.18 0.12 -3.59 1.37 4.02 -0.68 -4.93 117.16 109.29 2ayy n TYR 799 Ca 0.01 -0.06 -0.20 0.00 -0.01 0.00 0.00 57.90 57.64 2ayy n TYR 799 Cb 0.34 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.72 2ayy n TYR 799 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 2ayy n LEU 800 N 0.07 -3.51 0.00 7.72 4.32 -0.75 -4.98 117.00 119.87 2ayy n LEU 800 Ca 0.17 -0.69 0.00 0.00 -0.02 0.00 0.00 56.01 55.47 2ayy n LEU 800 Cb 0.29 -2.91 0.00 0.00 -1.62 0.00 0.00 43.42 39.18 2ayy n LEU 800 CO 0.14 0.43 0.00 -0.38 -1.22 0.00 0.00 177.39 176.36 2ayy n ILE 801 N -4.33 0.00 0.11 -0.08 2.08 0.12 -5.02 119.36 112.24 2ayy n ILE 801 Ca -0.23 0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.22 2ayy n ILE 801 Cb 0.65 -0.74 0.00 0.00 -0.75 0.00 0.00 39.64 38.80 2ayy n ILE 801 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 2ayy n GLU 802 N -1.30 0.00 -1.50 0.38 2.13 -1.26 -5.05 120.64 114.05 2ayy n GLU 802 Ca 0.00 0.00 -0.46 0.00 0.66 0.00 0.00 57.16 57.36 2ayy n GLU 802 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 2ayy n GLU 802 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2ayy n MET 803 N -3.13 0.70 -4.15 5.31 2.81 -1.26 -4.90 117.12 112.49 2ayy n MET 803 Ca 0.00 0.25 -0.22 0.00 -1.81 0.00 0.00 57.70 55.92 2ayy n MET 803 Cb 0.00 -1.44 -0.07 0.00 -0.71 0.00 0.00 33.22 31.00 2ayy n MET 803 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 2ayy n GLU 804 N 0.84 0.53 -3.87 0.03 0.00 -1.26 -4.05 120.64 112.87 2ayy n GLU 804 Ca 0.13 -3.13 -0.21 0.00 0.00 0.00 0.00 57.16 53.95 2ayy n GLU 804 Cb 0.29 1.96 -0.04 0.00 0.00 0.00 0.00 31.44 33.66 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 -3.24 5.31 -0.30 4.31 0.01 -1.26 -4.84 113.70 113.69 2ayy s SER 805 Ca 0.24 -0.46 -0.03 0.00 1.31 0.00 0.00 55.95 57.01 2ayy s SER 805 Cb 0.01 -1.04 0.19 0.00 0.21 0.00 0.00 66.02 65.39 2ayy s SER 805 CO 0.17 -0.30 0.66 -0.62 0.41 0.00 0.00 173.24 173.56 2ayy s ASP 806 N -3.97 -1.26 -0.38 2.44 2.15 -1.26 -5.10 116.67 109.29 2ayy s ASP 806 Ca 0.39 0.85 0.05 0.00 0.43 0.00 0.00 52.55 54.27 2ayy s ASP 806 Cb -0.06 2.08 0.18 0.00 -0.30 0.00 0.00 42.92 44.83 2ayy s ASP 806 CO 0.26 -0.24 0.69 -0.62 -0.17 0.00 0.00 175.17 175.10 2ayy s ASP 807 N 2.87 -1.36 0.00 -0.34 2.15 -1.26 -5.10 116.67 113.63 2ayy s ASP 807 Ca 0.17 -0.57 0.00 0.00 0.43 0.00 0.00 52.55 52.58 2ayy s ASP 807 Cb -0.14 1.75 0.00 0.00 -0.30 0.00 0.00 42.92 44.23 2ayy s ASP 807 CO -0.20 -0.16 0.58 -2.65 -0.17 0.00 0.00 175.17 172.57 2ayy n PRO 808 N 4.45 0.00 -3.92 4.34 -0.02 -1.26 -4.98 135.00 133.61 2ayy n PRO 808 Ca 0.10 0.35 -0.09 0.00 -2.02 0.00 0.00 63.50 61.84 2ayy n PRO 808 Cb 0.58 -1.19 -0.09 0.00 -0.02 0.00 0.00 33.50 32.78 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ayy s ALA 809 N -2.89 -0.08 -0.40 3.55 0.00 -1.26 -5.08 121.76 115.59 2ayy s ALA 809 Ca 0.00 -0.60 0.05 0.00 0.00 0.00 0.00 51.96 51.42 2ayy s ALA 809 Cb 0.00 0.31 0.31 0.00 0.00 0.00 0.00 23.12 23.74 2ayy s ALA 809 CO 0.00 -0.37 1.23 -1.71 0.00 0.00 0.00 175.76 174.91 2ayy n ASN 810 N 0.50 -1.86 -4.44 0.00 2.85 -1.26 -5.15 115.26 105.90 2ayy n ASN 810 Ca -0.18 -2.85 -0.27 0.00 -0.11 0.00 0.00 54.58 51.17 2ayy n ASN 810 Cb 0.60 1.53 -0.12 0.00 1.24 0.00 0.00 39.78 43.03 2ayy n ASN 810 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ayy s ALA 811 N 0.17 2.57 -0.18 5.20 0.00 -1.26 -5.12 121.76 123.14 2ayy s ALA 811 Ca 0.20 -1.61 -0.04 0.00 0.00 0.00 0.00 51.96 50.52 2ayy s ALA 811 Cb 0.29 -0.38 0.06 0.00 0.00 0.00 0.00 23.12 23.09 2ayy s ALA 811 CO -0.10 0.45 0.06 -1.17 0.00 0.00 0.00 175.76 175.00 2ayy s LEU 812 N -2.63 0.80 0.00 0.00 0.20 -1.26 -5.15 118.68 110.64 2ayy s LEU 812 Ca 0.21 -0.74 0.00 0.00 0.69 0.00 0.00 54.13 54.29 2ayy s LEU 812 Cb -0.08 -0.43 0.00 0.00 -0.43 0.00 0.00 46.19 45.24 2ayy s LEU 812 CO 0.10 -0.33 0.00 -2.65 -0.29 0.00 0.00 176.35 173.18 2ayy n PRO 813 N 5.15 -0.14 -2.09 0.98 -0.02 -1.26 -4.87 135.00 132.76 2ayy n PRO 813 Ca -0.08 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.02 2ayy n PRO 813 Cb 0.48 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.93 2ayy n PRO 813 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ayy n SER 814 N -2.22 3.83 -3.98 2.55 2.88 -1.26 -4.82 113.62 110.61 2ayy n SER 814 Ca 0.00 -2.80 -0.43 0.00 -1.33 0.00 0.00 58.87 54.31 2ayy n SER 814 Cb 0.00 -1.64 0.00 0.00 -0.75 0.00 0.00 64.21 61.82 2ayy n SER 814 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2ayy n THR 815 N 6.62 3.90 0.70 2.46 -1.04 -1.26 -5.38 114.28 120.28 2ayy n THR 815 Ca 0.48 -3.81 0.06 0.00 -2.04 0.00 0.00 64.05 58.74 2ayy n THR 815 Cb 0.44 -2.47 0.33 0.00 -1.82 0.00 0.00 70.33 66.81 2ayy n THR 815 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90