#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ayy s GLY 697 N 0.00 -0.53 -0.56 3.03 0.00 -1.26 -5.06 107.32 102.94 2ayy s GLY 697 Ca 0.00 2.35 0.06 0.00 0.00 0.00 0.00 44.72 47.13 2ayy s GLY 697 CO 0.00 2.15 0.92 0.61 0.00 0.00 0.00 173.10 176.78 2ayy n GLY 698 N 3.57 5.35 3.68 0.20 0.00 -1.26 -5.07 105.19 111.66 2ayy n GLY 698 Ca -0.17 -2.66 -0.42 0.00 0.00 0.00 0.00 46.02 42.77 2ayy n GLY 698 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ayy s SER 699 N -3.32 6.60 0.53 1.61 0.01 -1.26 -5.01 113.70 112.86 2ayy s SER 699 Ca 0.48 2.47 0.09 0.00 1.31 0.00 0.00 55.95 60.29 2ayy s SER 699 Cb 0.28 -2.56 0.07 0.00 0.21 0.00 0.00 66.02 64.02 2ayy s SER 699 CO -0.13 -0.90 0.74 -0.83 0.41 0.00 0.00 173.24 172.53 2ayy s GLY 700 N 2.63 1.80 0.14 3.44 0.00 -1.26 -5.14 107.32 108.93 2ayy s GLY 700 Ca 0.75 -1.98 0.07 0.00 0.00 0.00 0.00 44.72 43.56 2ayy s GLY 700 CO 0.32 -1.60 -0.16 0.54 0.00 0.00 0.00 173.10 172.21 2ayy s VAL 701 N -2.60 1.55 -0.27 1.40 0.11 -1.26 -5.12 120.40 114.22 2ayy s VAL 701 Ca 0.60 -1.82 0.03 0.00 -2.93 0.00 0.00 61.98 57.86 2ayy s VAL 701 Cb -0.07 -1.69 0.07 0.00 -1.53 0.00 0.00 36.38 33.16 2ayy s VAL 701 CO 0.37 -0.38 -0.06 -1.61 -3.33 0.00 0.00 175.10 170.10 2ayy s GLU 702 N -2.76 1.89 -1.05 1.54 0.41 -1.26 -5.05 118.70 112.42 2ayy s GLU 702 Ca 0.12 -1.38 -0.12 0.00 -0.41 0.00 0.00 54.97 53.19 2ayy s GLU 702 Cb -0.05 -2.86 0.23 0.00 -1.78 0.00 0.00 34.13 29.67 2ayy s GLU 702 CO 0.05 -0.67 1.09 0.20 -0.49 0.00 0.00 175.26 175.44 2ayy s GLY 703 N 1.14 2.86 -0.59 -1.39 0.00 -1.26 -4.99 107.32 103.08 2ayy s GLY 703 Ca -0.03 -3.56 -0.27 0.00 0.00 0.00 0.00 44.72 40.85 2ayy s GLY 703 CO -0.07 1.49 1.64 1.08 0.00 0.00 0.00 173.10 177.24 2ayy s LEU 704 N -0.14 3.32 -0.77 0.66 2.01 -1.26 -4.93 118.68 117.57 2ayy s LEU 704 Ca 0.30 0.29 -0.23 0.00 0.01 0.00 0.00 54.13 54.50 2ayy s LEU 704 Cb -0.08 -2.78 0.06 0.00 0.01 0.00 0.00 46.19 43.41 2ayy s LEU 704 CO -0.07 -2.04 1.14 -0.44 1.01 0.00 0.00 176.35 175.95 2ayy s SER 705 N 6.19 6.28 -0.24 2.29 0.01 -1.26 -4.99 113.70 121.99 2ayy s SER 705 Ca 0.59 -1.05 -0.05 0.00 1.31 0.00 0.00 55.95 56.76 2ayy s SER 705 Cb -0.12 -2.48 -0.01 0.00 0.21 0.00 0.00 66.02 63.62 2ayy s SER 705 CO 0.22 -1.51 -0.00 -0.83 0.41 0.00 0.00 173.24 171.52 2ayy s GLY 706 N 3.87 1.66 0.47 3.44 0.00 -1.26 -5.06 107.32 110.43 2ayy s GLY 706 Ca 0.30 -1.20 -0.21 0.00 0.00 0.00 0.00 44.72 43.61 2ayy s GLY 706 CO 0.06 0.48 1.03 0.54 0.00 0.00 0.00 173.10 175.21 2ayy s LYS 707 N 1.50 3.91 0.03 2.90 -0.14 -1.26 -4.86 119.74 121.82 2ayy s LYS 707 Ca 0.05 1.35 0.07 0.00 -1.36 0.00 0.00 55.97 56.09 2ayy s LYS 707 Cb -0.15 -2.17 -0.03 0.00 -1.68 0.00 0.00 37.83 33.80 2ayy s LYS 707 CO -0.01 -0.34 -0.19 0.50 -0.76 0.00 0.00 175.35 174.55 2ayy s ARG 708 N -3.11 2.10 -0.03 1.68 3.00 -1.26 -1.21 118.95 120.12 2ayy s ARG 708 Ca 0.65 -0.96 -0.03 0.00 -1.00 0.00 0.00 55.73 54.39 2ayy s ARG 708 Cb -0.16 -2.18 0.01 0.00 0.00 0.00 0.00 34.95 32.61 2ayy s ARG 708 CO 0.20 0.55 0.09 0.00 0.00 0.00 0.00 175.30 176.14 2ayy s TRP 710 N 0.01 3.01 -0.09 0.00 0.52 -0.40 -0.86 118.94 121.13 2ayy s TRP 710 Ca -0.00 -0.07 0.04 0.00 0.02 0.00 0.00 56.10 56.09 2ayy s TRP 710 Cb -0.01 -1.82 0.00 0.00 -1.15 0.00 0.00 33.47 30.50 2ayy s TRP 710 CO 0.00 0.22 -0.22 -0.48 0.02 0.00 0.00 176.95 176.49 2ayy s LEU 711 N -0.40 2.02 -0.49 2.99 2.34 0.12 -0.67 118.68 124.60 2ayy s LEU 711 Ca 0.06 -0.51 0.08 0.00 0.06 0.00 0.00 54.13 53.81 2ayy s LEU 711 Cb -0.12 -1.31 0.36 0.00 -0.56 0.00 0.00 46.19 44.56 2ayy s LEU 711 CO 0.02 0.15 0.93 0.00 -1.06 0.00 0.00 176.35 176.38 2ayy n ALA 712 N 3.52 4.04 -2.74 1.48 0.00 0.32 -0.77 120.51 126.36 2ayy n ALA 712 Ca -0.19 -4.23 -0.38 0.00 0.00 0.00 0.00 53.44 48.64 2ayy n ALA 712 Cb 0.53 -0.76 -0.11 0.00 0.00 0.00 0.00 19.45 19.10 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 -4.08 4.97 -1.41 0.00 1.01 -1.25 -2.59 120.40 117.04 2ayy s VAL 713 Ca 0.45 -0.03 0.26 0.00 0.00 0.00 0.00 61.98 62.66 2ayy s VAL 713 Cb 0.33 -3.40 0.17 0.00 0.00 0.00 0.00 36.38 33.48 2ayy s VAL 713 CO -0.12 0.22 1.52 0.54 0.00 0.00 0.00 175.10 177.27 2ayy n ARG 714 N 5.02 0.46 -3.08 2.72 1.74 -1.26 -4.72 116.66 117.53 2ayy n ARG 714 Ca -0.14 -0.26 -0.43 0.00 -0.77 0.00 0.00 57.85 56.25 2ayy n ARG 714 Cb 0.51 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.39 2ayy n ARG 714 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2ayy s ASN 715 N -2.72 6.35 0.11 0.55 0.01 -1.26 -4.97 114.94 113.01 2ayy s ASN 715 Ca 0.19 -0.25 -0.26 0.00 -0.71 0.00 0.00 52.86 51.83 2ayy s ASN 715 Cb 0.19 -2.33 -0.07 0.00 0.41 0.00 0.00 41.25 39.44 2ayy s ASN 715 CO 0.59 -0.79 1.65 0.00 -1.51 0.00 0.00 177.10 177.05 2ayy h ALA 716 N 8.86 -0.33 -0.67 0.60 0.00 -1.99 -0.99 119.26 124.74 2ayy h ALA 716 Ca -0.25 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.72 2ayy h ALA 716 Cb 1.10 0.36 -0.06 0.00 0.00 0.00 0.00 17.79 19.18 2ayy h ALA 716 CO 0.90 -0.73 0.33 0.77 0.00 0.00 0.00 179.25 180.52 2ayy h SER 717 N -0.38 0.44 -0.06 0.00 0.02 -1.98 -0.87 113.55 110.72 2ayy h SER 717 Ca 0.04 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2ayy h SER 717 Cb 0.42 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 2ayy h SER 717 CO -0.15 0.27 -0.01 -0.07 -1.14 0.00 0.00 176.83 175.72 2ayy h LEU 718 N 0.59 0.11 -0.46 5.07 3.38 -1.90 -2.78 115.31 119.32 2ayy h LEU 718 Ca 0.32 -0.36 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 2ayy h LEU 718 Cb 0.30 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2ayy h LEU 718 CO -0.24 0.44 -0.03 0.00 0.09 0.00 0.00 178.44 178.70 2ayy h GLN 720 N 0.68 0.63 -0.55 0.00 3.07 -1.25 -0.34 115.11 117.35 2ayy h GLN 720 Ca 0.13 -0.30 -0.05 0.00 0.09 0.00 0.00 58.65 58.52 2ayy h GLN 720 Cb 0.55 -0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.08 2ayy h GLN 720 CO 0.03 0.89 0.16 0.35 0.09 0.00 0.00 178.83 180.36 2ayy h PHE 721 N 0.37 0.89 -0.10 0.06 3.57 -1.41 -2.09 116.94 118.22 2ayy h PHE 721 Ca 0.05 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2ayy h PHE 721 Cb 0.74 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 2ayy h PHE 721 CO 0.07 0.76 -0.01 1.25 -2.23 0.00 0.00 178.31 178.14 2ayy h LEU 722 N 0.76 0.18 -0.46 0.59 7.12 -1.16 -2.43 115.31 119.92 2ayy h LEU 722 Ca 0.18 -0.34 -0.06 0.00 0.13 0.00 0.00 57.88 57.79 2ayy h LEU 722 Cb 0.29 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.35 2ayy h LEU 722 CO -0.00 0.48 0.04 1.05 -0.13 0.00 0.00 178.44 179.87 2ayy h GLU 723 N -0.11 0.79 -0.34 1.25 -0.00 -0.99 -1.32 114.58 113.86 2ayy h GLU 723 Ca 0.03 -0.23 -0.07 0.00 -0.00 0.00 0.00 59.36 59.09 2ayy h GLU 723 Cb 0.39 -0.08 -0.02 0.00 -0.00 0.00 0.00 28.75 29.04 2ayy h GLU 723 CO 0.01 0.83 -0.07 1.15 -0.00 0.00 0.00 179.01 180.93 2ayy h THR 724 N 0.65 1.22 -0.45 -1.06 2.02 -1.43 -0.16 112.91 113.70 2ayy h THR 724 Ca 0.14 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.26 2ayy h THR 724 Cb 0.45 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 2ayy h THR 724 CO 0.02 0.32 -0.15 0.28 0.37 0.00 0.00 175.52 176.35 2ayy h SER 725 N 0.52 0.91 0.17 4.18 0.02 -1.02 -3.04 113.55 115.29 2ayy h SER 725 Ca 0.10 -0.38 -0.16 0.00 -0.84 0.00 0.00 61.79 60.51 2ayy h SER 725 Cb 0.44 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2ayy h SER 725 CO 0.02 1.08 -0.61 0.25 -1.14 0.00 0.00 176.83 176.43 2ayy h LEU 726 N 0.73 0.49 0.00 5.07 5.85 -0.94 -2.97 115.31 123.55 2ayy h LEU 726 Ca 0.11 -0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2ayy h LEU 726 Cb 0.70 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2ayy h LEU 726 CO 0.05 0.99 0.00 0.00 -0.34 0.00 0.00 178.44 179.14 2ayy n GLN 727 N -3.91 0.06 0.17 1.25 6.02 -0.10 -2.07 117.38 118.80 2ayy n GLN 727 Ca -0.03 0.23 0.06 0.00 -0.01 0.00 0.00 57.00 57.25 2ayy n GLN 727 Cb 0.64 -1.50 0.56 0.00 1.02 0.00 0.00 30.24 30.95 2ayy n GLN 727 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2ayy h ARG 728 N 0.00 0.18 0.00 -1.09 3.08 -1.41 -0.14 114.38 115.00 2ayy h ARG 728 Ca 0.00 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2ayy h ARG 728 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2ayy h ARG 728 CO 0.00 0.14 -0.21 1.03 -1.07 0.00 0.00 179.97 179.86 2ayy h SER 729 N 0.19 0.00 0.00 7.04 0.87 -1.64 -3.47 113.55 116.54 2ayy h SER 729 Ca 0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 2ayy h SER 729 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2ayy h SER 729 CO -0.01 0.21 0.00 0.61 -0.53 0.00 0.00 176.83 177.11 2ayy n GLY 730 N 1.08 0.97 3.68 5.77 0.00 -0.07 -5.07 105.19 111.56 2ayy n GLY 730 Ca 0.03 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2ayy n GLY 730 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 731 N -2.00 4.83 -0.40 -0.61 1.01 -1.25 -4.56 121.20 118.21 2ayy s ILE 731 Ca 0.00 1.88 -0.29 0.00 0.00 0.00 0.00 60.65 62.24 2ayy s ILE 731 Cb 0.00 -4.24 0.02 0.00 0.01 0.00 0.00 42.46 38.25 2ayy s ILE 731 CO 0.00 0.02 1.14 0.54 0.00 0.00 0.00 174.94 176.64 2ayy s VAL 732 N 2.02 4.31 -0.23 2.92 0.11 -0.35 -4.32 120.40 124.86 2ayy s VAL 732 Ca 0.44 1.43 -0.10 0.00 -2.93 0.00 0.00 61.98 60.83 2ayy s VAL 732 Cb -0.18 -4.48 -0.05 0.00 -1.53 0.00 0.00 36.38 30.15 2ayy s VAL 732 CO 0.16 -0.74 0.14 -0.69 -3.33 0.00 0.00 175.10 170.63 2ayy s VAL 733 N 4.16 5.17 0.01 2.04 1.01 -1.26 -1.66 120.40 129.87 2ayy s VAL 733 Ca 0.48 0.11 0.07 0.00 0.00 0.00 0.00 61.98 62.64 2ayy s VAL 733 Cb -0.10 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2ayy s VAL 733 CO 0.24 0.36 -0.21 -0.89 0.00 0.00 0.00 175.10 174.60 2ayy s THR 734 N 1.04 1.64 0.07 3.92 2.01 -0.04 -4.95 115.64 119.32 2ayy s THR 734 Ca 0.07 -0.99 -0.31 0.00 0.31 0.00 0.00 61.69 60.77 2ayy s THR 734 Cb -0.14 -1.38 -0.08 0.00 0.01 0.00 0.00 72.50 70.91 2ayy s THR 734 CO 0.04 0.37 1.53 -0.89 -0.69 0.00 0.00 174.62 174.98 2ayy s THR 735 N -0.59 3.22 -0.42 -0.82 2.01 -1.26 -0.70 115.64 117.07 2ayy s THR 735 Ca 0.08 0.73 -0.21 0.00 0.31 0.00 0.00 61.69 62.59 2ayy s THR 735 Cb -0.08 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 68.98 2ayy s THR 735 CO 0.00 0.01 0.67 -0.47 -0.69 0.00 0.00 174.62 174.15 2ayy s TYR 736 N 2.14 3.07 -0.12 4.92 5.04 0.05 -4.82 117.35 127.63 2ayy s TYR 736 Ca 0.69 0.08 -0.02 0.00 -2.44 0.00 0.00 57.07 55.38 2ayy s TYR 736 Cb -0.37 -3.37 -0.07 0.00 0.35 0.00 0.00 41.96 38.50 2ayy s TYR 736 CO 0.30 -0.84 -0.13 0.39 -1.34 0.00 0.00 175.55 173.93 2ayy n GLU 737 N 6.31 0.28 0.00 4.97 -0.58 -1.26 -4.64 120.64 125.72 2ayy n GLU 737 Ca -0.01 0.09 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2ayy n GLU 737 Cb 0.48 -1.12 0.00 0.00 -0.57 0.00 0.00 31.44 30.23 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 2.63 0.00 3.91 0.62 0.00 -1.26 -5.17 105.19 105.93 2ayy n GLY 738 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 3.02 0.02 1.61 1.11 -1.26 -5.06 119.66 119.11 2ayy s GLN 739 Ca 0.00 -1.06 -0.30 0.00 0.01 0.00 0.00 55.36 54.01 2ayy s GLN 739 Cb 0.00 -2.68 -0.07 0.00 -1.01 0.00 0.00 33.01 29.25 2ayy s GLN 739 CO 0.00 0.20 1.62 -1.21 0.01 0.00 0.00 175.29 175.91 2ayy s GLU 740 N -4.02 4.21 0.28 2.91 8.01 -1.26 -4.99 118.70 123.84 2ayy s GLU 740 Ca 0.39 2.23 -0.28 0.00 0.01 0.00 0.00 54.97 57.33 2ayy s GLU 740 Cb -0.08 -3.72 -0.09 0.00 -4.31 0.00 0.00 34.13 25.93 2ayy s GLU 740 CO 0.28 -0.74 0.96 -2.14 0.01 0.00 0.00 175.26 173.62 2ayy s PRO 741 N 3.04 4.71 0.02 0.39 0.02 -1.26 -5.08 135.00 136.84 2ayy s PRO 741 Ca 0.72 1.44 0.05 0.00 0.02 0.00 0.00 61.00 63.24 2ayy s PRO 741 Cb -0.37 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.08 2ayy s PRO 741 CO 0.31 0.38 -0.13 0.99 -0.33 0.00 0.00 177.00 178.21 2ayy s THR 742 N -1.38 3.17 -1.22 0.99 2.01 -1.26 -4.89 115.64 113.05 2ayy s THR 742 Ca 0.46 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.46 2ayy s THR 742 Cb -0.23 -2.35 0.00 0.00 0.01 0.00 0.00 72.50 69.93 2ayy s THR 742 CO 0.29 0.37 0.25 -2.65 -0.69 0.00 0.00 174.62 172.18 2ayy n PRO 743 N 1.57 0.40 0.00 4.92 -0.02 -1.26 -1.46 135.00 139.15 2ayy n PRO 743 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2ayy n PRO 743 Cb 0.52 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 2ayy n PRO 743 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2ayy n GLU 744 N 0.12 6.61 -4.06 -0.52 1.02 -1.26 -3.91 120.64 118.63 2ayy n GLU 744 Ca 0.00 -0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2ayy n GLU 744 Cb 0.08 -0.47 -0.05 0.00 -0.02 0.00 0.00 31.44 30.97 2ayy n GLU 744 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2ayy s ASP 745 N -0.94 5.61 -0.09 1.62 1.01 -0.53 -4.60 116.67 118.73 2ayy s ASP 745 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.18 2ayy s ASP 745 Cb 0.00 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.41 2ayy s ASP 745 CO 0.00 0.08 -0.09 -0.69 0.21 0.00 0.00 175.17 174.68 2ayy s VAL 746 N -1.71 3.48 -0.66 -1.27 1.01 -1.25 -1.78 120.40 118.21 2ayy s VAL 746 Ca 0.31 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.56 2ayy s VAL 746 Cb -0.10 -2.43 0.11 0.00 0.00 0.00 0.00 36.38 33.95 2ayy s VAL 746 CO 0.24 0.57 0.79 -0.22 0.00 0.00 0.00 175.10 176.48 2ayy s LEU 747 N -0.38 5.34 -0.51 3.92 0.20 -0.23 -1.28 118.68 125.74 2ayy s LEU 747 Ca 0.05 -1.56 -0.24 0.00 0.69 0.00 0.00 54.13 53.07 2ayy s LEU 747 Cb -0.12 -2.32 0.03 0.00 -0.43 0.00 0.00 46.19 43.35 2ayy s LEU 747 CO 0.02 -1.11 0.91 -0.63 -0.29 0.00 0.00 176.35 175.25 2ayy s ILE 748 N 2.65 4.46 0.16 6.68 1.01 0.16 -0.66 121.20 135.66 2ayy s ILE 748 Ca 0.16 0.44 0.10 0.00 0.00 0.00 0.00 60.65 61.35 2ayy s ILE 748 Cb -0.20 -4.47 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 2ayy s ILE 748 CO 0.04 -0.96 -0.23 0.42 0.00 0.00 0.00 174.94 174.21 2ayy s THR 749 N 3.77 2.10 -0.01 2.92 -4.23 0.17 -0.53 115.64 119.82 2ayy s THR 749 Ca 0.32 -1.88 0.06 0.00 -1.18 0.00 0.00 61.69 59.01 2ayy s THR 749 Cb -0.12 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 2ayy s THR 749 CO 0.22 -0.13 -0.21 -0.62 -0.54 0.00 0.00 174.62 173.34 2ayy s ASP 750 N -2.45 2.45 0.71 3.99 2.15 -1.07 -1.03 116.67 121.42 2ayy s ASP 750 Ca 0.16 -0.38 0.00 0.00 0.43 0.00 0.00 52.55 52.76 2ayy s ASP 750 Cb -0.08 -0.27 0.00 0.00 -0.30 0.00 0.00 42.92 42.27 2ayy s ASP 750 CO 0.07 0.25 0.00 1.21 -0.17 0.00 0.00 175.17 176.54 2ayy n GLU 751 N 2.55 0.00 -3.62 4.34 2.13 -0.46 -4.60 120.64 120.98 2ayy n GLU 751 Ca -0.15 0.00 -0.39 0.00 0.66 0.00 0.00 57.16 57.28 2ayy n GLU 751 Cb 0.53 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.12 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 4.89 -0.39 6.31 1.01 -1.26 -4.79 120.40 126.16 2ayy s VAL 752 Ca 0.00 -0.24 0.23 0.00 0.00 0.00 0.00 61.98 61.97 2ayy s VAL 752 Cb 0.00 -3.45 0.08 0.00 0.00 0.00 0.00 36.38 33.01 2ayy s VAL 752 CO 0.00 0.10 1.24 -0.37 0.00 0.00 0.00 175.10 176.06 2ayy h VAL 753 N 5.55 0.00 -1.91 2.92 -1.51 -1.94 -3.48 116.25 115.89 2ayy h VAL 753 Ca -0.33 -0.85 -0.35 0.00 -1.23 0.00 0.00 66.70 63.94 2ayy h VAL 753 Cb 1.16 1.47 -0.06 0.00 -2.13 0.00 0.00 31.29 31.73 2ayy h VAL 753 CO 0.61 0.00 -0.40 -1.20 -1.23 0.00 0.00 177.57 175.34 2ayy n SER 754 N -2.59 -5.10 -2.04 4.19 7.64 -1.26 -4.97 113.62 109.48 2ayy n SER 754 Ca 0.02 0.14 -0.08 0.00 1.01 0.00 0.00 58.87 59.96 2ayy n SER 754 Cb 0.51 -4.17 -0.02 0.00 -1.01 0.00 0.00 64.21 59.52 2ayy n SER 754 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2ayy n LYS 755 N -2.61 0.32 -0.17 1.43 5.02 -1.26 -5.17 118.16 115.71 2ayy n LYS 755 Ca -0.20 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 2ayy n LYS 755 Cb 0.63 1.37 0.00 0.00 -0.02 0.00 0.00 35.03 37.01 2ayy n LYS 755 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2ayy n LYS 756 N -0.30 2.05 -3.65 1.97 4.76 -1.26 -5.03 118.16 116.70 2ayy n LYS 756 Ca 0.01 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.32 2ayy n LYS 756 Cb 0.30 0.00 -0.13 0.00 -1.84 0.00 0.00 35.03 33.36 2ayy n LYS 756 CO 0.00 0.00 0.00 -0.46 -1.37 0.00 0.00 177.40 175.57 2ayy s TRP 757 N -0.06 -0.42 -1.07 2.13 -0.11 -1.26 -5.07 118.94 113.07 2ayy s TRP 757 Ca 0.00 0.94 -0.10 0.00 1.22 0.00 0.00 56.10 58.15 2ayy s TRP 757 Cb 0.00 -0.05 0.26 0.00 -1.50 0.00 0.00 33.47 32.18 2ayy s TRP 757 CO 0.00 -0.37 1.07 -0.65 -4.62 0.00 0.00 176.95 172.38 2ayy s GLN 758 N 2.42 4.10 0.00 5.86 -1.52 -1.26 -4.91 119.66 124.35 2ayy s GLN 758 Ca 0.02 -3.05 0.00 0.00 -1.95 0.00 0.00 55.36 50.37 2ayy s GLN 758 Cb -0.12 -4.57 0.00 0.00 -0.22 0.00 0.00 33.01 28.10 2ayy s GLN 758 CO -0.09 -1.28 0.00 0.41 -0.25 0.00 0.00 175.29 174.08 2ayy n GLY 759 N 3.01 4.16 0.07 3.09 0.00 -1.26 -4.40 105.19 109.86 2ayy n GLY 759 Ca 0.23 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.04 -2.14 1.61 9.65 -1.39 -3.43 114.38 118.64 2ayy h ARG 760 Ca 0.00 0.00 0.17 0.00 -1.10 0.00 0.00 59.98 59.05 2ayy h ARG 760 Cb 0.00 0.01 -0.13 0.00 -1.39 0.00 0.00 29.97 28.46 2ayy h ARG 760 CO 0.00 0.61 0.55 0.00 2.80 0.00 0.00 179.97 183.94 2ayy s ALA 761 N -3.41 -1.83 -0.14 2.80 0.00 -1.23 -4.84 121.76 113.11 2ayy s ALA 761 Ca -0.16 0.74 0.02 0.00 0.00 0.00 0.00 51.96 52.56 2ayy s ALA 761 Cb -0.00 0.43 0.01 0.00 0.00 0.00 0.00 23.12 23.56 2ayy s ALA 761 CO 0.63 -0.83 -0.20 0.08 0.00 0.00 0.00 175.76 175.44 2ayy s VAL 762 N -3.04 1.93 -0.62 0.00 1.01 0.14 -1.07 120.40 118.74 2ayy s VAL 762 Ca 0.09 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.08 2ayy s VAL 762 Cb -0.01 -1.72 0.16 0.00 0.00 0.00 0.00 36.38 34.82 2ayy s VAL 762 CO -0.04 0.52 0.51 -0.69 0.00 0.00 0.00 175.10 175.40 2ayy s VAL 763 N 0.92 4.57 -0.25 2.92 1.01 0.17 -0.44 120.40 129.29 2ayy s VAL 763 Ca -0.05 -2.28 -0.09 0.00 0.00 0.00 0.00 61.98 59.56 2ayy s VAL 763 Cb -0.15 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2ayy s VAL 763 CO -0.03 -0.88 0.11 -0.89 0.00 0.00 0.00 175.10 173.41 2ayy s THR 764 N 0.65 4.79 -0.44 3.92 2.01 0.00 -0.66 115.64 125.90 2ayy s THR 764 Ca 0.12 -0.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.95 2ayy s THR 764 Cb -0.20 -3.24 0.04 0.00 0.01 0.00 0.00 72.50 69.11 2ayy s THR 764 CO -0.04 0.33 0.37 -0.36 -0.69 0.00 0.00 174.62 174.24 2ayy s PHE 765 N 1.39 3.23 -0.01 4.92 0.40 -0.20 -2.44 117.98 125.27 2ayy s PHE 765 Ca 0.06 -0.71 0.01 0.00 -0.60 0.00 0.00 56.93 55.69 2ayy s PHE 765 Cb -0.15 -2.91 -0.00 0.00 0.51 0.00 0.00 43.02 40.47 2ayy s PHE 765 CO 0.05 -0.71 -0.05 0.00 0.70 0.00 0.00 175.22 175.22 2ayy n ARG 767 N 3.02 0.65 -4.31 0.00 5.12 -1.26 -3.56 116.66 116.32 2ayy n ARG 767 Ca -0.13 0.22 -0.22 0.00 -1.93 0.00 0.00 57.85 55.78 2ayy n ARG 767 Cb 0.58 -1.72 -0.12 0.00 -1.16 0.00 0.00 32.46 30.04 2ayy n ARG 767 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 2ayy s ARG 768 N -2.57 1.20 -0.86 5.56 6.06 -1.26 -4.99 118.95 122.10 2ayy s ARG 768 Ca -0.07 -1.31 -0.25 0.00 -2.50 0.00 0.00 55.73 51.61 2ayy s ARG 768 Cb 0.07 -1.32 0.05 0.00 0.06 0.00 0.00 34.95 33.81 2ayy s ARG 768 CO 0.82 0.28 1.32 -1.58 -2.50 0.00 0.00 175.30 173.64 2ayy s HIS 769 N -1.73 2.45 -0.56 5.12 2.46 -1.26 -4.91 115.29 116.86 2ayy s HIS 769 Ca 0.12 -0.48 0.04 0.00 0.47 0.00 0.00 55.06 55.21 2ayy s HIS 769 Cb -0.07 -4.62 0.15 0.00 -0.13 0.00 0.00 32.58 27.91 2ayy s HIS 769 CO 0.05 -1.96 0.35 0.42 -2.47 0.00 0.00 174.74 171.14 2ayy s ILE 770 N 5.16 2.13 0.00 0.89 1.01 -1.26 -4.92 121.20 124.21 2ayy s ILE 770 Ca 0.39 -3.41 0.00 0.00 0.00 0.00 0.00 60.65 57.62 2ayy s ILE 770 Cb -0.05 -2.44 0.00 0.00 0.01 0.00 0.00 42.46 39.97 2ayy s ILE 770 CO 0.03 -0.95 0.00 0.61 0.00 0.00 0.00 174.94 174.63 2ayy n GLY 771 N 2.75 1.33 3.76 6.18 0.00 -1.26 -4.86 105.19 113.10 2ayy n GLY 771 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2ayy n GLY 771 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ayy s ILE 772 N 0.00 2.37 0.93 -0.61 -1.09 -1.26 -4.99 121.20 116.55 2ayy s ILE 772 Ca 0.00 0.34 -0.11 0.00 -2.23 0.00 0.00 60.65 58.65 2ayy s ILE 772 Cb 0.00 -3.22 0.15 0.00 -1.58 0.00 0.00 42.46 37.81 2ayy s ILE 772 CO 0.00 0.07 1.09 -2.16 -1.23 0.00 0.00 174.94 172.71 2ayy s PRO 773 N -1.25 0.98 -0.52 2.79 0.04 -1.26 -4.96 135.00 130.81 2ayy s PRO 773 Ca 0.56 1.07 0.06 0.00 0.04 0.00 0.00 61.00 62.73 2ayy s PRO 773 Cb -0.44 -1.76 0.36 0.00 0.04 0.00 0.00 34.50 32.70 2ayy s PRO 773 CO 0.53 -2.50 0.94 1.47 0.04 0.00 0.00 177.00 177.48 2ayy n LEU 774 N -4.10 3.95 0.00 -3.56 -0.00 -1.26 -4.87 117.00 107.16 2ayy n LEU 774 Ca 0.08 -5.47 0.00 0.00 -0.00 0.00 0.00 56.01 50.61 2ayy n LEU 774 Cb 0.54 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.61 2ayy n LEU 774 CO 0.54 2.31 0.00 1.21 -0.00 0.00 0.00 177.39 181.45 2ayy n GLU 775 N -0.21 0.00 -2.78 1.47 2.13 -1.26 -4.85 120.64 115.15 2ayy n GLU 775 Ca 0.31 0.00 -0.18 0.00 0.66 0.00 0.00 57.16 57.95 2ayy n GLU 775 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 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 13.82 -2.93 -3.62 5.31 4.76 -1.26 -4.85 118.16 129.39 2ayy n LYS 776 Ca 0.00 0.67 -0.10 0.00 -2.87 0.00 0.00 58.31 56.00 2ayy n LYS 776 Cb 0.00 -5.35 -0.07 0.00 -1.84 0.00 0.00 35.03 27.77 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 -2.84 -1.93 -0.86 7.82 0.00 -1.26 -5.07 121.76 117.61 2ayy s ALA 777 Ca 0.16 1.82 -0.22 0.00 0.00 0.00 0.00 51.96 53.72 2ayy s ALA 777 Cb -0.08 -1.21 -0.14 0.00 0.00 0.00 0.00 23.12 21.69 2ayy s ALA 777 CO 0.19 -0.27 1.93 -2.30 0.00 0.00 0.00 175.76 175.32 2ayy n PRO 778 N 1.95 1.58 0.00 0.00 -0.02 -1.26 -2.92 135.00 134.34 2ayy n PRO 778 Ca -0.13 -1.99 0.00 0.00 -2.02 0.00 0.00 63.50 59.36 2ayy n PRO 778 Cb 0.56 -3.07 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 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 4.74 0.04 3.56 -1.23 0.00 -1.26 -5.05 105.19 105.99 2ayy n GLY 779 Ca 0.49 -0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 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 3.05 -0.09 1.61 1.03 -1.15 -0.69 118.70 122.47 2ayy s GLU 780 Ca 0.00 -0.53 0.03 0.00 0.03 0.00 0.00 54.97 54.50 2ayy s GLU 780 Cb 0.00 -2.70 0.01 0.00 -0.80 0.00 0.00 34.13 30.64 2ayy s GLU 780 CO 0.00 0.54 -0.17 -1.58 -1.33 0.00 0.00 175.26 172.72 2ayy s TRP 781 N -0.46 1.95 -0.04 4.83 0.52 0.42 -4.22 118.94 121.94 2ayy s TRP 781 Ca 0.07 -0.80 0.05 0.00 0.02 0.00 0.00 56.10 55.45 2ayy s TRP 781 Cb -0.12 -1.37 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 2ayy s TRP 781 CO 0.02 -0.37 -0.19 0.54 0.02 0.00 0.00 176.95 176.97 2ayy s VAL 782 N 0.62 1.58 0.27 4.03 0.11 -1.26 -0.82 120.40 124.92 2ayy s VAL 782 Ca -0.15 -0.81 -0.21 0.00 -2.93 0.00 0.00 61.98 57.88 2ayy s VAL 782 Cb -0.16 -1.34 0.02 0.00 -1.53 0.00 0.00 36.38 33.37 2ayy s VAL 782 CO 0.04 0.45 0.70 -2.28 -3.33 0.00 0.00 175.10 170.68 2ayy s HIS 783 N -0.15 -0.18 0.27 1.54 2.46 -1.02 -4.96 115.29 113.25 2ayy s HIS 783 Ca -0.00 -0.26 -0.29 0.00 0.47 0.00 0.00 55.06 54.97 2ayy s HIS 783 Cb -0.11 0.68 -0.10 0.00 -0.13 0.00 0.00 32.58 32.92 2ayy s HIS 783 CO 0.02 -1.21 1.30 -1.54 -2.47 0.00 0.00 174.74 170.84 2ayy s SER 784 N -2.92 6.86 0.15 9.88 1.04 -1.23 -0.67 113.70 126.81 2ayy s SER 784 Ca 0.11 2.54 -0.17 0.00 0.48 0.00 0.00 55.95 58.91 2ayy s SER 784 Cb -0.05 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.43 2ayy s SER 784 CO 0.06 -0.50 1.80 0.58 0.98 0.00 0.00 173.24 176.16 2ayy h VAL 785 N 3.34 1.08 0.00 5.02 2.07 -1.78 -3.09 116.25 122.89 2ayy h VAL 785 Ca -0.47 -0.16 -0.33 0.00 0.82 0.00 0.00 66.70 66.56 2ayy h VAL 785 Cb 1.22 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2ayy h VAL 785 CO 0.71 0.08 0.86 0.00 0.02 0.00 0.00 177.57 179.25 2ayy n ALA 786 N -2.20 6.71 -2.78 1.67 0.00 -1.26 -4.09 120.51 118.56 2ayy n ALA 786 Ca -0.00 -2.32 -0.10 0.00 0.00 0.00 0.00 53.44 51.02 2ayy n ALA 786 Cb 0.03 -2.63 0.08 0.00 0.00 0.00 0.00 19.45 16.93 2ayy n ALA 786 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ayy n ALA 787 N 2.82 -0.14 1.18 0.00 0.00 -1.17 -4.99 120.51 118.21 2ayy n ALA 787 Ca 0.53 -1.70 0.02 0.00 0.00 0.00 0.00 53.44 52.29 2ayy n ALA 787 Cb 0.71 -1.11 0.08 0.00 0.00 0.00 0.00 19.45 19.13 2ayy n ALA 787 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2ayy n PRO 788 N 0.23 1.54 0.22 0.00 -0.04 -1.26 -3.71 135.00 131.98 2ayy n PRO 788 Ca 0.07 -0.63 0.09 0.00 -0.04 0.00 0.00 63.50 63.00 2ayy n PRO 788 Cb 0.72 -1.31 0.45 0.00 -0.04 0.00 0.00 33.50 33.32 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 0.94 0.00 -0.02 0.54 2.07 -1.95 -3.10 115.15 113.62 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 0.42 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.40 2ayy h HIS 789 CO 0.15 0.25 0.00 -0.85 -3.07 0.00 0.00 177.93 174.42 2ayy n GLU 790 N -3.45 0.21 0.30 5.12 0.28 -1.24 -4.79 120.64 117.06 2ayy n GLU 790 Ca -0.00 -0.90 -0.16 0.00 -0.16 0.00 0.00 57.16 55.94 2ayy n GLU 790 Cb 0.43 -1.06 -0.08 0.00 1.43 0.00 0.00 31.44 32.16 2ayy n GLU 790 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2ayy h LEU 791 N 0.60 -0.63 -1.67 -1.84 5.85 -1.69 0.59 115.31 116.51 2ayy h LEU 791 Ca 0.00 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2ayy h LEU 791 Cb 0.23 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2ayy h LEU 791 CO 0.00 -0.36 -0.09 -0.65 -0.34 0.00 0.00 178.44 177.01 2ayy h PRO 792 N -0.88 0.10 -0.03 5.25 0.11 -1.87 -1.86 132.00 132.82 2ayy h PRO 792 Ca -0.08 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.87 2ayy h PRO 792 Cb 0.62 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 2ayy h PRO 792 CO 0.13 0.19 -0.67 0.00 -0.21 0.00 0.00 178.00 177.44 2ayy h ALA 793 N 1.82 0.83 -0.35 -0.75 0.00 -1.82 -2.63 119.26 116.36 2ayy h ALA 793 Ca 0.02 -0.60 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 2ayy h ALA 793 Cb 0.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2ayy h ALA 793 CO 0.01 0.80 -0.25 1.25 0.00 0.00 0.00 179.25 181.06 2ayy h LEU 794 N 0.09 0.71 -0.24 0.00 5.85 -0.06 0.14 115.31 121.80 2ayy h LEU 794 Ca -0.01 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 2ayy h LEU 794 Cb 1.19 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 2ayy h LEU 794 CO 0.10 0.93 0.13 -0.07 -0.34 0.00 0.00 178.44 179.19 2ayy h LEU 795 N 0.60 0.29 -1.51 2.25 -0.00 -1.30 -1.29 115.31 114.36 2ayy h LEU 795 Ca 0.08 -0.08 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 2ayy h LEU 795 Cb 0.74 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.32 2ayy h LEU 795 CO 0.06 0.29 -0.25 0.00 -0.00 0.00 0.00 178.44 178.53 2ayy h ALA 796 N 1.02 1.45 0.01 1.53 0.00 -1.28 -0.82 119.26 121.16 2ayy h ALA 796 Ca 0.08 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ayy h ALA 796 Cb 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ayy h ALA 796 CO -0.01 0.32 -0.01 -0.09 0.00 0.00 0.00 179.25 179.46 2ayy h ARG 797 N 0.00 -0.02 -0.35 0.00 2.43 -0.35 0.24 114.38 116.33 2ayy h ARG 797 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 2ayy h ARG 797 Cb 0.49 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2ayy h ARG 797 CO 0.03 0.31 -0.37 0.82 -1.51 0.00 0.00 179.97 179.25 2ayy h ILE 798 N -0.34 1.28 0.00 1.20 2.04 -1.10 -2.94 117.51 117.64 2ayy h ILE 798 Ca -0.00 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.31 2ayy h ILE 798 Cb 0.33 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 2ayy h ILE 798 CO 0.00 0.51 0.00 0.00 0.00 0.00 0.00 178.15 178.66 2ayy n TYR 799 N -4.12 0.00 -3.44 1.37 9.36 -0.33 -4.88 117.16 115.12 2ayy n TYR 799 Ca -0.03 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.95 2ayy n TYR 799 Cb 0.53 -0.27 0.06 0.00 -0.63 0.00 0.00 39.34 39.03 2ayy n TYR 799 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 2ayy n LEU 800 N -1.27 -3.16 0.01 2.98 7.94 -0.49 -4.93 117.00 118.07 2ayy n LEU 800 Ca 0.12 -0.47 -0.12 0.00 -1.11 0.00 0.00 56.01 54.43 2ayy n LEU 800 Cb 0.19 -3.00 -0.09 0.00 0.53 0.00 0.00 43.42 41.05 2ayy n LEU 800 CO 0.19 0.53 0.47 0.40 -1.11 0.00 0.00 177.39 177.86 2ayy h ILE 801 N -2.30 1.19 0.00 1.96 2.04 -0.86 -3.49 117.51 116.04 2ayy h ILE 801 Ca -0.56 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 63.94 2ayy h ILE 801 Cb 1.37 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.46 2ayy h ILE 801 CO 0.57 0.31 0.00 1.21 0.00 0.00 0.00 178.15 180.24 2ayy n GLU 802 N -4.84 0.00 -2.44 2.37 2.13 -1.25 -5.10 120.64 111.51 2ayy n GLU 802 Ca -0.08 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.38 2ayy n GLU 802 Cb 0.30 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.98 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 -1.26 3.93 -0.22 5.31 1.00 -1.26 -4.97 119.30 121.83 2ayy s MET 803 Ca 0.00 1.58 -0.06 0.00 0.00 0.00 0.00 55.69 57.21 2ayy s MET 803 Cb 0.00 -2.40 -0.03 0.00 0.00 0.00 0.00 34.83 32.41 2ayy s MET 803 CO 0.00 -0.36 0.03 -1.21 0.00 0.00 0.00 175.02 173.48 2ayy s GLU 804 N -2.72 3.63 0.00 2.03 2.02 -1.26 -3.54 118.70 118.86 2ayy s GLU 804 Ca 0.62 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 55.11 2ayy s GLU 804 Cb -0.23 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.82 2ayy s GLU 804 CO 0.29 -0.07 0.14 0.43 0.02 0.00 0.00 175.26 176.07 2ayy n SER 805 N 4.52 0.00 -3.67 -0.19 7.64 -1.26 -4.98 113.62 115.68 2ayy n SER 805 Ca -0.17 0.14 -0.08 0.00 1.01 0.00 0.00 58.87 59.77 2ayy n SER 805 Cb 0.52 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 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 -1.56 -0.71 -0.55 6.43 -1.08 -1.26 -5.06 116.67 112.88 2ayy s ASP 806 Ca 0.00 1.20 -0.20 0.00 -0.52 0.00 0.00 52.55 53.03 2ayy s ASP 806 Cb 0.00 1.18 0.07 0.00 -1.46 0.00 0.00 42.92 42.70 2ayy s ASP 806 CO 0.00 -0.22 0.73 -1.81 0.52 0.00 0.00 175.17 174.40 2ayy s ASP 807 N 1.70 6.22 -1.43 -0.34 1.11 -1.26 -4.97 116.67 117.71 2ayy s ASP 807 Ca -0.09 -0.97 -0.10 0.00 0.18 0.00 0.00 52.55 51.57 2ayy s ASP 807 Cb -0.08 -2.33 -0.07 0.00 1.07 0.00 0.00 42.92 41.51 2ayy s ASP 807 CO -0.16 -1.07 2.68 -2.65 1.18 0.00 0.00 175.17 175.15 2ayy n PRO 808 N 6.60 3.20 -1.80 8.23 -0.02 -1.26 -4.78 135.00 145.17 2ayy n PRO 808 Ca -0.06 -2.06 -0.41 0.00 -2.02 0.00 0.00 63.50 58.96 2ayy n PRO 808 Cb 0.45 -2.77 -0.01 0.00 -0.02 0.00 0.00 33.50 31.15 2ayy n PRO 808 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ayy n ALA 809 N 4.06 6.31 -3.15 3.55 0.00 -1.26 -4.89 120.51 125.14 2ayy n ALA 809 Ca 0.68 -3.92 -0.45 0.00 0.00 0.00 0.00 53.44 49.74 2ayy n ALA 809 Cb 0.23 -3.22 -0.03 0.00 0.00 0.00 0.00 19.45 16.43 2ayy n ALA 809 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2ayy s ASN 810 N 1.83 6.59 0.40 0.00 3.04 -1.26 -4.99 114.94 120.55 2ayy s ASN 810 Ca 0.53 -2.21 0.05 0.00 0.04 0.00 0.00 52.86 51.28 2ayy s ASN 810 Cb 0.15 -2.29 -0.02 0.00 -1.54 0.00 0.00 41.25 37.55 2ayy s ASN 810 CO -0.06 -0.85 0.19 0.00 -3.04 0.00 0.00 177.10 173.34 2ayy s ALA 811 N 1.55 2.66 -0.06 1.71 0.00 -1.26 -5.18 121.76 121.18 2ayy s ALA 811 Ca 0.21 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.44 2ayy s ALA 811 Cb -0.11 1.00 0.07 0.00 0.00 0.00 0.00 23.12 24.07 2ayy s ALA 811 CO -0.06 -0.45 0.66 -0.48 0.00 0.00 0.00 175.76 175.43 2ayy s LEU 812 N -3.55 -0.56 0.34 0.00 0.05 -1.26 -5.15 118.68 108.55 2ayy s LEU 812 Ca 0.28 0.72 -0.29 0.00 0.05 0.00 0.00 54.13 54.89 2ayy s LEU 812 Cb 0.02 2.45 -0.11 0.00 -2.05 0.00 0.00 46.19 46.50 2ayy s LEU 812 CO 0.19 -0.58 1.45 -2.16 -0.55 0.00 0.00 176.35 174.70 2ayy s PRO 813 N -1.11 4.20 0.07 1.48 0.04 -1.26 -5.01 135.00 133.41 2ayy s PRO 813 Ca -0.11 2.45 -0.00 0.00 0.04 0.00 0.00 61.00 63.38 2ayy s PRO 813 Cb -0.01 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2ayy s PRO 813 CO 0.09 -0.44 0.23 -1.12 0.04 0.00 0.00 177.00 175.80 2ayy s SER 814 N -0.10 6.37 0.93 6.66 0.01 -1.26 -5.01 113.70 121.31 2ayy s SER 814 Ca 0.54 0.30 0.00 0.00 1.31 0.00 0.00 55.95 58.10 2ayy s SER 814 Cb -0.44 -1.97 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2ayy s SER 814 CO 0.56 0.15 0.00 0.41 0.41 0.00 0.00 173.24 174.78 2ayy n THR 815 N 0.24 0.00 0.44 1.44 -1.04 -1.26 -5.37 114.28 108.73 2ayy n THR 815 Ca -0.05 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.02 2ayy n THR 815 Cb 0.51 0.00 0.04 0.00 -1.82 0.00 0.00 70.33 69.07 2ayy n THR 815 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76