#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ice n GLU 731 N 0.00 2.76 -3.18 -0.67 1.02 -1.26 -4.75 120.64 114.57 2ice n GLU 731 Ca 0.00 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.94 2ice n GLU 731 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 2ice n GLU 731 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ice n ASP 732 N -0.57 -3.55 -3.62 1.62 8.00 -1.26 -4.93 116.55 112.23 2ice n ASP 732 Ca 0.00 -0.25 -0.15 0.00 0.71 0.00 0.00 54.79 55.10 2ice n ASP 732 Cb 0.00 -2.97 -0.07 0.00 -0.02 0.00 0.00 41.12 38.06 2ice n ASP 732 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2ice s ILE 733 N -2.83 0.00 -0.89 0.53 2.07 -1.26 -2.75 121.20 116.07 2ice s ILE 733 Ca 0.32 -0.02 -0.22 0.00 -1.41 0.00 0.00 60.65 59.32 2ice s ILE 733 Cb -0.17 -0.93 0.08 0.00 0.13 0.00 0.00 42.46 41.58 2ice s ILE 733 CO 0.39 -0.01 1.23 -0.63 -1.91 0.00 0.00 174.94 174.01 2ice s ILE 734 N -0.05 4.26 0.25 2.00 1.01 -1.26 -5.00 121.20 122.41 2ice s ILE 734 Ca -0.03 -0.86 -0.27 0.00 0.00 0.00 0.00 60.65 59.50 2ice s ILE 734 Cb -0.04 -4.88 -0.16 0.00 0.01 0.00 0.00 42.46 37.39 2ice s ILE 734 CO 0.03 -1.69 0.48 0.00 0.00 0.00 0.00 174.94 173.76 2ice n ALA 735 N 7.88 -2.68 -0.35 9.38 0.00 -1.26 -4.80 120.51 128.68 2ice n ALA 735 Ca 0.20 0.37 0.08 0.00 0.00 0.00 0.00 53.44 54.09 2ice n ALA 735 Cb 0.49 -1.62 0.17 0.00 0.00 0.00 0.00 19.45 18.49 2ice n ALA 735 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ice n GLU 736 N 1.03 -0.09 0.17 0.00 0.00 -1.26 -0.77 120.64 119.72 2ice n GLU 736 Ca 0.16 1.51 0.11 0.00 0.00 0.00 0.00 57.16 58.94 2ice n GLU 736 Cb 0.28 -2.28 0.58 0.00 0.00 0.00 0.00 31.44 30.02 2ice n GLU 736 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2ice n GLU 737 N -5.56 0.14 -1.99 5.31 4.71 -1.26 -1.85 120.64 120.13 2ice n GLU 737 Ca 0.17 0.63 -0.30 0.00 -0.01 0.00 0.00 57.16 57.66 2ice n GLU 737 Cb 0.55 -2.00 0.03 0.00 -1.01 0.00 0.00 31.44 29.01 2ice n GLU 737 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 2ice n ASN 738 N -2.26 5.93 -3.73 1.62 5.03 0.05 -4.92 115.26 116.98 2ice n ASN 738 Ca -0.01 -3.77 -0.22 0.00 0.87 0.00 0.00 54.58 51.45 2ice n ASN 738 Cb 0.08 -0.64 -0.18 0.00 -1.02 0.00 0.00 39.78 38.02 2ice n ASN 738 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2ice s ILE 739 N -5.00 0.19 -0.13 2.41 1.01 -0.77 -4.88 121.20 114.02 2ice s ILE 739 Ca 0.53 0.24 -0.19 0.00 0.00 0.00 0.00 60.65 61.23 2ice s ILE 739 Cb 0.43 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.48 2ice s ILE 739 CO -0.12 0.23 0.53 -0.69 0.00 0.00 0.00 174.94 174.89 2ice s VAL 740 N 2.05 5.14 0.21 2.92 1.01 -1.26 -5.06 120.40 125.41 2ice s VAL 740 Ca 0.05 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 2ice s VAL 740 Cb -0.12 -3.86 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 2ice s VAL 740 CO -0.04 0.27 0.93 -0.44 0.00 0.00 0.00 175.10 175.81 2ice s SER 741 N 0.80 7.60 0.02 3.32 0.01 -1.26 -4.58 113.70 119.60 2ice s SER 741 Ca 0.27 1.89 -0.30 0.00 1.31 0.00 0.00 55.95 59.12 2ice s SER 741 Cb -0.16 -2.60 -0.08 0.00 0.21 0.00 0.00 66.02 63.40 2ice s SER 741 CO 0.11 0.12 1.73 -0.13 0.41 0.00 0.00 173.24 175.48 2ice s ARG 742 N -0.96 4.18 0.00 12.44 0.52 0.24 -4.83 118.95 130.54 2ice s ARG 742 Ca 0.42 2.35 0.00 0.00 -0.52 0.00 0.00 55.73 57.98 2ice s ARG 742 Cb -0.25 -3.85 0.00 0.00 0.52 0.00 0.00 34.95 31.37 2ice s ARG 742 CO 0.31 -0.82 0.40 -1.13 0.02 0.00 0.00 175.30 174.08 2ice n SER 743 N 6.54 0.50 -4.01 0.23 3.41 -1.26 -1.63 113.62 117.40 2ice n SER 743 Ca 0.17 -1.16 -0.31 0.00 -0.26 0.00 0.00 58.87 57.31 2ice n SER 743 Cb 0.41 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.21 2ice n SER 743 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2ice s GLU 744 N -0.16 1.82 -0.37 4.33 2.02 -1.26 -4.92 118.70 120.16 2ice s GLU 744 Ca 0.00 -1.41 0.11 0.00 0.02 0.00 0.00 54.97 53.69 2ice s GLU 744 Cb 0.00 -2.87 0.34 0.00 0.10 0.00 0.00 34.13 31.70 2ice s GLU 744 CO 0.00 -0.70 0.72 1.19 0.02 0.00 0.00 175.26 176.49 2ice n PHE 745 N 4.45 0.04 -1.30 1.61 3.72 -1.26 -2.19 117.46 122.53 2ice n PHE 745 Ca -0.08 -3.75 -0.35 0.00 -0.05 0.00 0.00 57.45 53.22 2ice n PHE 745 Cb 0.42 -0.36 0.10 0.00 -0.94 0.00 0.00 39.48 38.71 2ice n PHE 745 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2ice n PRO 746 N 0.40 0.46 0.06 -1.08 -0.04 -1.26 -4.92 135.00 128.63 2ice n PRO 746 Ca 0.24 0.22 -0.07 0.00 -0.04 0.00 0.00 63.50 63.86 2ice n PRO 746 Cb 0.65 -2.38 -0.10 0.00 -0.04 0.00 0.00 33.50 31.62 2ice n PRO 746 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ice h GLU 747 N -0.43 0.00 -3.67 0.54 5.08 -2.06 -3.45 114.58 110.58 2ice h GLU 747 Ca -0.47 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.74 2ice h GLU 747 Cb 1.32 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.37 2ice h GLU 747 CO 0.47 0.97 -0.54 -1.54 -1.00 0.00 0.00 179.01 177.37 2ice s SER 748 N -6.71 0.10 0.00 1.42 1.04 -1.26 -5.12 113.70 103.17 2ice s SER 748 Ca 0.01 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.11 2ice s SER 748 Cb 0.10 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.40 2ice s SER 748 CO 0.82 -0.38 0.00 -2.67 0.98 0.00 0.00 173.24 171.99 2ice n TRP 749 N 1.36 -0.33 -2.66 5.02 4.27 -1.26 -5.01 117.44 118.83 2ice n TRP 749 Ca -0.22 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.26 2ice n TRP 749 Cb 0.56 0.00 0.02 0.00 -1.36 0.00 0.00 31.31 30.53 2ice n TRP 749 CO 0.00 0.00 0.00 -0.11 -2.29 0.00 0.00 177.69 175.29 2ice n LEU 750 N 0.00 -2.16 -4.39 5.67 7.94 -1.26 -4.91 117.00 117.89 2ice n LEU 750 Ca 0.00 -0.15 -0.40 0.00 -1.11 0.00 0.00 56.01 54.34 2ice n LEU 750 Cb 0.00 -1.93 -0.01 0.00 0.53 0.00 0.00 43.42 42.00 2ice n LEU 750 CO 0.00 0.12 2.02 1.87 -1.11 0.00 0.00 177.39 180.29 2ice n TRP 751 N -3.98 4.01 -4.33 1.96 -0.00 -1.26 -4.90 117.44 108.93 2ice n TRP 751 Ca -0.07 -2.57 -0.21 0.00 -0.00 0.00 0.00 57.50 54.64 2ice n TRP 751 Cb 0.57 -2.58 -0.11 0.00 -0.00 0.00 0.00 31.31 29.20 2ice n TRP 751 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 2ice s ASN 752 N 4.48 2.66 -0.12 5.87 0.01 -1.26 -5.14 114.94 121.44 2ice s ASN 752 Ca 0.55 -0.87 0.02 0.00 -0.71 0.00 0.00 52.86 51.85 2ice s ASN 752 Cb 0.05 -0.15 -0.01 0.00 0.41 0.00 0.00 41.25 41.55 2ice s ASN 752 CO 0.06 -0.05 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.74 2ice s VAL 753 N -2.13 2.61 -0.06 1.60 1.01 -1.26 -5.12 120.40 117.05 2ice s VAL 753 Ca 0.16 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 2ice s VAL 753 Cb -0.05 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.29 2ice s VAL 753 CO 0.07 0.54 -0.02 -1.61 0.00 0.00 0.00 175.10 174.07 2ice s GLU 754 N 0.37 0.75 -0.15 2.72 0.41 -1.26 -5.13 118.70 116.41 2ice s GLU 754 Ca -0.14 -0.01 -0.17 0.00 -0.41 0.00 0.00 54.97 54.23 2ice s GLU 754 Cb -0.17 -0.92 -0.04 0.00 -1.78 0.00 0.00 34.13 31.22 2ice s GLU 754 CO 0.07 -0.19 0.45 -0.51 -0.49 0.00 0.00 175.26 174.59 2ice s ASP 755 N 1.41 6.60 -1.25 -0.19 1.01 -1.26 -5.01 116.67 117.99 2ice s ASP 755 Ca -0.03 0.72 -0.19 0.00 0.71 0.00 0.00 52.55 53.75 2ice s ASP 755 Cb -0.13 -2.27 0.03 0.00 1.01 0.00 0.00 42.92 41.56 2ice s ASP 755 CO -0.03 -0.02 1.76 -0.76 0.21 0.00 0.00 175.17 176.33 2ice s LEU 756 N 0.84 3.64 0.08 1.23 1.43 -1.26 -4.75 118.68 119.89 2ice s LEU 756 Ca 0.24 -2.17 0.24 0.00 -1.03 0.00 0.00 54.13 51.41 2ice s LEU 756 Cb -0.15 -2.58 0.40 0.00 0.03 0.00 0.00 46.19 43.89 2ice s LEU 756 CO 0.09 -1.62 1.35 2.29 0.23 0.00 0.00 176.35 178.69 2ice n LYS 757 N 8.43 0.20 -2.59 1.70 -0.00 -1.26 -4.95 118.16 119.69 2ice n LYS 757 Ca 0.47 0.05 -0.38 0.00 -0.00 0.00 0.00 58.31 58.45 2ice n LYS 757 Cb 0.47 -1.62 -0.05 0.00 -0.00 0.00 0.00 35.03 33.83 2ice n LYS 757 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2ice s GLU 758 N -3.12 4.40 0.14 -1.58 8.01 -1.26 -4.98 118.70 120.32 2ice s GLU 758 Ca 0.08 1.54 -0.34 0.00 0.01 0.00 0.00 54.97 56.25 2ice s GLU 758 Cb 0.15 -2.79 -0.15 0.00 -4.31 0.00 0.00 34.13 27.03 2ice s GLU 758 CO 0.71 0.07 1.42 -2.30 0.01 0.00 0.00 175.26 175.17 2ice n PRO 759 N 0.44 1.64 -1.74 0.39 -0.02 -1.26 -4.70 135.00 129.76 2ice n PRO 759 Ca 0.03 0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 2ice n PRO 759 Cb 0.48 -2.27 0.09 0.00 -0.02 0.00 0.00 33.50 31.78 2ice n PRO 759 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2ice s PRO 760 N 0.43 2.06 -0.24 0.52 0.02 -1.26 -4.83 135.00 131.69 2ice s PRO 760 Ca 0.79 0.37 -0.02 0.00 0.02 0.00 0.00 61.00 62.16 2ice s PRO 760 Cb -0.80 -1.94 0.07 0.00 0.02 0.00 0.00 34.50 31.86 2ice s PRO 760 CO 0.44 -1.58 0.04 0.15 -0.33 0.00 0.00 177.00 175.73 2ice s LYS 761 N -5.36 0.82 -0.67 5.54 -0.14 -0.02 -4.90 119.74 115.02 2ice s LYS 761 Ca 0.61 -0.73 -0.03 0.00 -1.36 0.00 0.00 55.97 54.46 2ice s LYS 761 Cb -0.13 -2.13 0.00 0.00 -1.68 0.00 0.00 37.83 33.89 2ice s LYS 761 CO 0.52 -0.76 0.47 0.09 -0.76 0.00 0.00 175.35 174.91 2ice n ASN 762 N 4.93 -3.62 0.00 2.83 5.03 -1.26 -2.51 115.26 120.65 2ice n ASN 762 Ca -0.07 -0.79 0.00 0.00 0.87 0.00 0.00 54.58 54.59 2ice n ASN 762 Cb 0.45 -1.22 0.00 0.00 -1.02 0.00 0.00 39.78 37.99 2ice n ASN 762 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2ice n GLY 763 N -1.43 3.06 3.50 7.41 0.00 -1.26 -5.05 105.19 111.42 2ice n GLY 763 Ca -0.24 -0.86 -0.35 0.00 0.00 0.00 0.00 46.02 44.58 2ice n GLY 763 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ice s ILE 764 N -0.38 4.15 0.18 -0.61 -1.09 -1.04 -5.00 121.20 117.40 2ice s ILE 764 Ca 0.00 -0.25 -0.15 0.00 -2.23 0.00 0.00 60.65 58.01 2ice s ILE 764 Cb 0.00 -2.87 -0.07 0.00 -1.58 0.00 0.00 42.46 37.94 2ice s ILE 764 CO 0.00 0.44 0.60 -0.44 -1.23 0.00 0.00 174.94 174.32 2ice s SER 765 N 0.75 6.87 -0.08 3.58 0.01 -1.26 -0.84 113.70 122.72 2ice s SER 765 Ca 0.01 1.16 0.02 0.00 1.31 0.00 0.00 55.95 58.45 2ice s SER 765 Cb -0.14 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.78 2ice s SER 765 CO 0.02 0.06 -0.14 -0.89 0.41 0.00 0.00 173.24 172.70 2ice s THR 766 N -1.52 1.35 -0.06 1.44 2.01 -1.26 -5.04 115.64 112.55 2ice s THR 766 Ca 0.40 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2ice s THR 766 Cb -0.15 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 2ice s THR 766 CO 0.20 0.41 -0.07 -0.75 -0.69 0.00 0.00 174.62 173.71 2ice s LYS 767 N 0.73 2.72 -0.28 4.92 2.20 -1.26 -4.82 119.74 123.96 2ice s LYS 767 Ca -0.13 -0.57 -0.05 0.00 -0.36 0.00 0.00 55.97 54.87 2ice s LYS 767 Cb -0.16 -2.58 0.02 0.00 -1.51 0.00 0.00 37.83 33.60 2ice s LYS 767 CO 0.03 0.66 0.03 -0.51 -0.36 0.00 0.00 175.35 175.20 2ice s LEU 768 N -0.86 3.63 -0.14 5.43 1.43 -1.26 -5.09 118.68 121.82 2ice s LEU 768 Ca 0.13 -0.79 -0.00 0.00 -1.03 0.00 0.00 54.13 52.44 2ice s LEU 768 Cb -0.11 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.30 2ice s LEU 768 CO 0.02 -0.17 -0.13 -0.32 0.23 0.00 0.00 176.35 175.98 2ice s MET 769 N 1.43 3.35 -0.31 1.70 1.75 -1.26 -5.09 119.30 120.88 2ice s MET 769 Ca 0.01 -0.69 -0.14 0.00 -1.25 0.00 0.00 55.69 53.62 2ice s MET 769 Cb -0.17 -2.65 -0.03 0.00 2.84 0.00 0.00 34.83 34.82 2ice s MET 769 CO -0.00 0.15 0.31 -0.80 -0.65 0.00 0.00 175.02 174.03 2ice s ASN 770 N 0.50 6.15 0.19 1.11 0.01 -1.26 -5.08 114.94 116.56 2ice s ASN 770 Ca -0.09 -0.06 0.09 0.00 -0.71 0.00 0.00 52.86 52.09 2ice s ASN 770 Cb -0.16 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 2ice s ASN 770 CO 0.04 -0.21 -0.08 0.27 -1.51 0.00 0.00 177.10 175.61 2ice s ILE 771 N 1.94 3.24 -0.41 0.60 -4.36 -1.26 -5.11 121.20 115.84 2ice s ILE 771 Ca 0.11 -1.70 -0.15 0.00 -0.26 0.00 0.00 60.65 58.65 2ice s ILE 771 Cb -0.16 -2.63 0.02 0.00 1.25 0.00 0.00 42.46 40.94 2ice s ILE 771 CO 0.11 -0.15 0.30 -0.36 0.24 0.00 0.00 174.94 175.07 2ice s PHE 772 N -1.81 3.24 0.96 1.37 0.08 -1.26 -5.10 117.98 115.46 2ice s PHE 772 Ca 0.26 -0.63 -0.11 0.00 0.12 0.00 0.00 56.93 56.57 2ice s PHE 772 Cb -0.08 -2.61 0.16 0.00 -0.57 0.00 0.00 43.02 39.91 2ice s PHE 772 CO 0.16 -0.61 1.05 1.28 -0.10 0.00 0.00 175.22 177.00 2ice n LEU 773 N 5.15 2.24 -4.80 -0.37 4.77 -1.26 -5.03 117.00 117.70 2ice n LEU 773 Ca -0.11 0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 55.97 2ice n LEU 773 Cb 0.47 -1.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.09 2ice n LEU 773 CO 0.41 -2.47 -0.19 -0.54 -1.33 0.00 0.00 177.39 173.27 2ice s LYS 774 N -4.50 2.86 0.00 3.23 -0.14 -1.26 -5.03 119.74 114.90 2ice s LYS 774 Ca 0.66 -1.10 0.12 0.00 -1.36 0.00 0.00 55.97 54.29 2ice s LYS 774 Cb -0.23 -2.52 0.56 0.00 -1.68 0.00 0.00 37.83 33.96 2ice s LYS 774 CO 0.60 0.40 1.33 -0.25 -0.76 0.00 0.00 175.35 176.66 2ice n ASP 775 N -1.15 0.00 -4.64 2.83 8.00 -0.93 -4.75 116.55 115.92 2ice n ASP 775 Ca -0.08 0.28 -0.47 0.00 0.71 0.00 0.00 54.79 55.23 2ice n ASP 775 Cb 0.58 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.27 2ice n ASP 775 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2ice n SER 776 N -1.38 2.25 -4.25 -2.24 7.64 -1.14 -4.93 113.62 109.59 2ice n SER 776 Ca 0.04 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.64 2ice n SER 776 Cb 0.11 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 61.94 2ice n SER 776 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ice s ILE 777 N 0.02 5.33 0.00 0.44 1.01 -1.26 -4.84 121.20 121.90 2ice s ILE 777 Ca 0.72 -3.54 0.00 0.00 0.00 0.00 0.00 60.65 57.82 2ice s ILE 777 Cb -0.74 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 37.49 2ice s ILE 777 CO 0.49 -1.14 0.00 1.07 0.00 0.00 0.00 174.94 175.37 2ice n THR 778 N 2.63 0.00 -4.21 2.92 5.66 -1.25 -4.96 114.28 115.07 2ice n THR 778 Ca 0.22 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 61.04 2ice n THR 778 Cb 0.39 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.01 2ice n THR 778 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2ice s THR 779 N 1.11 0.54 -0.11 1.09 2.01 -1.26 -2.46 115.64 116.57 2ice s THR 779 Ca 0.00 -0.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 2ice s THR 779 Cb 0.00 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2ice s THR 779 CO 0.00 0.19 0.20 0.26 -0.69 0.00 0.00 174.62 174.58 2ice s TRP 780 N 0.43 3.59 -0.33 4.92 0.52 0.75 -4.92 118.94 123.90 2ice s TRP 780 Ca -0.06 0.60 -0.16 0.00 0.02 0.00 0.00 56.10 56.50 2ice s TRP 780 Cb -0.09 -2.06 -0.01 0.00 -1.15 0.00 0.00 33.47 30.15 2ice s TRP 780 CO 0.00 0.63 0.43 -2.00 0.02 0.00 0.00 176.95 176.03 2ice s GLU 781 N -0.76 3.66 -0.24 4.98 2.12 -1.26 -0.98 118.70 126.22 2ice s GLU 781 Ca 0.16 -0.23 -0.12 0.00 0.36 0.00 0.00 54.97 55.14 2ice s GLU 781 Cb -0.13 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.43 2ice s GLU 781 CO 0.05 -0.53 0.21 0.42 -0.54 0.00 0.00 175.26 174.87 2ice s ILE 782 N 2.18 5.32 -0.09 -3.70 1.01 0.24 -4.94 121.20 121.23 2ice s ILE 782 Ca 0.15 0.29 0.02 0.00 0.00 0.00 0.00 60.65 61.11 2ice s ILE 782 Cb -0.16 -3.55 0.02 0.00 0.01 0.00 0.00 42.46 38.77 2ice s ILE 782 CO 0.12 0.31 -0.13 -0.22 0.00 0.00 0.00 174.94 175.02 2ice s LEU 783 N 1.20 1.61 0.16 2.97 2.96 -1.26 -0.75 118.68 125.57 2ice s LEU 783 Ca 0.10 -0.35 0.10 0.00 -0.22 0.00 0.00 54.13 53.75 2ice s LEU 783 Cb -0.14 -0.94 -0.04 0.00 0.50 0.00 0.00 46.19 45.57 2ice s LEU 783 CO 0.06 0.01 -0.18 0.00 -1.32 0.00 0.00 176.35 174.91 2ice s ALA 784 N 0.94 2.68 -0.02 5.97 0.00 -1.26 -5.05 121.76 125.02 2ice s ALA 784 Ca -0.09 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.38 2ice s ALA 784 Cb -0.15 -0.54 0.02 0.00 0.00 0.00 0.00 23.12 22.45 2ice s ALA 784 CO -0.00 0.50 -0.01 0.08 0.00 0.00 0.00 175.76 176.32 2ice s VAL 785 N -1.48 0.21 -0.06 0.00 1.01 -1.26 -1.21 120.40 117.61 2ice s VAL 785 Ca 0.21 -0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.24 2ice s VAL 785 Cb -0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2ice s VAL 785 CO 0.11 0.12 -0.23 -0.94 0.00 0.00 0.00 175.10 174.16 2ice s SER 786 N 0.62 2.83 -0.23 3.32 1.04 0.11 -4.97 113.70 116.42 2ice s SER 786 Ca -0.06 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 55.91 2ice s SER 786 Cb -0.09 -0.90 0.05 0.00 0.10 0.00 0.00 66.02 65.18 2ice s SER 786 CO -0.01 0.20 -0.10 -0.32 0.98 0.00 0.00 173.24 173.99 2ice s MET 787 N 0.01 2.06 -0.07 4.02 1.75 -1.25 -0.15 119.30 125.66 2ice s MET 787 Ca -0.07 -1.09 0.03 0.00 -1.25 0.00 0.00 55.69 53.31 2ice s MET 787 Cb -0.14 -2.67 0.01 0.00 2.84 0.00 0.00 34.83 34.87 2ice s MET 787 CO 0.04 -0.52 -0.14 0.45 -0.65 0.00 0.00 175.02 174.20 2ice s SER 788 N 1.27 2.02 0.45 1.11 0.15 0.97 -4.94 113.70 114.73 2ice s SER 788 Ca -0.05 -0.35 0.14 0.00 0.70 0.00 0.00 55.95 56.39 2ice s SER 788 Cb -0.18 -0.94 1.07 0.00 -1.71 0.00 0.00 66.02 64.26 2ice s SER 788 CO -0.07 0.06 2.01 -0.78 1.20 0.00 0.00 173.24 175.66 2ice h ASP 789 N 6.93 0.30 0.27 5.45 1.82 -2.00 0.90 116.42 130.09 2ice h ASP 789 Ca -0.29 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.30 2ice h ASP 789 Cb 1.20 -0.06 -0.01 0.00 0.68 0.00 0.00 39.33 41.14 2ice h ASP 789 CO 0.47 0.19 -1.78 0.29 -1.61 0.00 0.00 179.24 176.81 2ice n LYS 790 N -4.47 0.65 0.00 0.28 4.01 -1.26 -4.60 118.16 112.77 2ice n LYS 790 Ca 0.07 -0.07 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2ice n LYS 790 Cb 0.32 -1.61 0.00 0.00 -0.51 0.00 0.00 35.03 33.23 2ice n LYS 790 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2ice n LYS 791 N -2.46 1.99 0.00 1.97 4.76 -0.97 -5.14 118.16 118.32 2ice n LYS 791 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2ice n LYS 791 Cb 0.65 -0.81 0.00 0.00 -1.84 0.00 0.00 35.03 33.03 2ice n LYS 791 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ice n GLY 792 N 1.72 -0.57 3.77 0.72 0.00 0.31 -4.88 105.19 106.25 2ice n GLY 792 Ca 0.00 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 2ice n GLY 792 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ice s ILE 793 N 0.00 5.04 -0.02 -0.61 2.07 -1.26 -0.02 121.20 126.40 2ice s ILE 793 Ca 0.00 1.02 -0.01 0.00 -1.41 0.00 0.00 60.65 60.25 2ice s ILE 793 Cb 0.00 -3.83 0.01 0.00 0.13 0.00 0.00 42.46 38.78 2ice s ILE 793 CO 0.00 0.43 0.03 0.00 -1.91 0.00 0.00 174.94 173.50 2ice s VAL 795 N 0.37 2.11 0.56 0.00 1.01 -1.26 0.06 120.40 123.25 2ice s VAL 795 Ca -0.03 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 2ice s VAL 795 Cb -0.04 -1.88 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 2ice s VAL 795 CO -0.01 0.54 1.05 0.00 0.00 0.00 0.00 175.10 176.67 2ice s ALA 796 N 1.24 2.80 0.50 5.51 0.00 -0.35 -5.02 121.76 126.44 2ice s ALA 796 Ca 0.04 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.19 2ice s ALA 796 Cb -0.13 -3.23 -0.07 0.00 0.00 0.00 0.00 23.12 19.69 2ice s ALA 796 CO -0.11 -0.63 1.39 -0.51 0.00 0.00 0.00 175.76 175.90 2ice s ASP 797 N -2.60 5.59 0.68 0.00 1.11 -1.26 -4.71 116.67 115.48 2ice s ASP 797 Ca 0.64 2.85 -0.11 0.00 0.18 0.00 0.00 52.55 56.11 2ice s ASP 797 Cb -0.16 -2.65 0.00 0.00 1.07 0.00 0.00 42.92 41.19 2ice s ASP 797 CO 0.32 -1.36 1.06 -2.16 1.18 0.00 0.00 175.17 174.20 2ice s PRO 798 N -2.67 3.02 -0.10 8.23 0.04 -1.26 -4.84 135.00 137.42 2ice s PRO 798 Ca 0.66 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.68 2ice s PRO 798 Cb -0.42 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.13 2ice s PRO 798 CO 0.52 -1.03 -0.14 0.12 0.04 0.00 0.00 177.00 176.51 2ice s PHE 799 N -3.00 1.83 0.01 0.56 5.36 0.07 -4.95 117.98 117.85 2ice s PHE 799 Ca 0.58 -0.85 -0.15 0.00 -0.96 0.00 0.00 56.93 55.55 2ice s PHE 799 Cb -0.14 -1.35 -0.06 0.00 -0.34 0.00 0.00 43.02 41.14 2ice s PHE 799 CO 0.53 -0.46 0.43 -1.21 -1.46 0.00 0.00 175.22 173.05 2ice s GLU 800 N 1.06 3.97 -0.15 10.12 2.02 -1.26 -0.59 118.70 133.87 2ice s GLU 800 Ca -0.06 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.39 2ice s GLU 800 Cb -0.15 -3.23 0.03 0.00 0.10 0.00 0.00 34.13 30.88 2ice s GLU 800 CO -0.02 0.67 -0.13 0.08 0.02 0.00 0.00 175.26 175.88 2ice s VAL 801 N -1.02 1.49 -0.14 2.63 1.01 -0.15 -4.96 120.40 119.27 2ice s VAL 801 Ca 0.24 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.43 2ice s VAL 801 Cb -0.17 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 2ice s VAL 801 CO 0.14 0.41 0.45 -0.89 0.00 0.00 0.00 175.10 175.21 2ice s THR 802 N 1.51 5.20 -0.10 3.92 2.01 -1.26 -0.18 115.64 126.75 2ice s THR 802 Ca 0.04 0.88 -0.03 0.00 0.31 0.00 0.00 61.69 62.90 2ice s THR 802 Cb -0.13 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 2ice s THR 802 CO -0.10 0.32 0.01 -0.69 -0.69 0.00 0.00 174.62 173.47 2ice s VAL 803 N 0.73 4.38 -0.22 3.82 1.01 -1.03 -5.03 120.40 124.06 2ice s VAL 803 Ca 0.24 -0.21 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 2ice s VAL 803 Cb -0.15 -2.86 0.06 0.00 0.00 0.00 0.00 36.38 33.44 2ice s VAL 803 CO 0.09 0.59 0.55 -0.32 0.00 0.00 0.00 175.10 176.02 2ice s MET 804 N -0.74 0.58 0.40 2.72 0.00 -1.26 -3.76 119.30 117.24 2ice s MET 804 Ca 0.12 0.93 0.08 0.00 0.00 0.00 0.00 55.69 56.82 2ice s MET 804 Cb -0.12 0.14 -0.02 0.00 0.00 0.00 0.00 34.83 34.83 2ice s MET 804 CO 0.02 -0.13 0.35 -0.65 0.00 0.00 0.00 175.02 174.61 2ice s GLN 805 N 1.12 2.56 0.08 4.11 -0.21 -1.26 -5.04 119.66 121.02 2ice s GLN 805 Ca -0.07 -1.49 0.24 0.00 0.02 0.00 0.00 55.36 54.06 2ice s GLN 805 Cb -0.06 -2.39 0.21 0.00 1.00 0.00 0.00 33.01 31.77 2ice s GLN 805 CO -0.11 -0.12 1.18 -3.47 -2.12 0.00 0.00 175.29 170.65 2ice n ASP 806 N -1.49 0.65 -3.68 5.90 2.03 -1.26 -4.86 116.55 113.84 2ice n ASP 806 Ca 0.02 -0.04 -0.09 0.00 0.52 0.00 0.00 54.79 55.20 2ice n ASP 806 Cb 0.61 0.47 -0.10 0.00 -0.72 0.00 0.00 41.12 41.38 2ice n ASP 806 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2ice s PHE 807 N -3.18 -0.73 -0.15 -0.67 5.36 -1.26 -1.07 117.98 116.28 2ice s PHE 807 Ca 0.05 1.49 -0.27 0.00 -0.96 0.00 0.00 56.93 57.24 2ice s PHE 807 Cb 0.14 0.34 0.07 0.00 -0.34 0.00 0.00 43.02 43.23 2ice s PHE 807 CO 0.76 -0.41 0.67 -0.59 -1.46 0.00 0.00 175.22 174.19 2ice s PHE 808 N 1.70 -0.69 -0.20 10.12 -0.12 -1.20 -4.83 117.98 122.76 2ice s PHE 808 Ca -0.08 1.44 -0.29 0.00 -0.05 0.00 0.00 56.93 57.95 2ice s PHE 808 Cb -0.09 0.32 -0.00 0.00 -0.63 0.00 0.00 43.02 42.63 2ice s PHE 808 CO -0.14 -0.48 1.16 0.42 -0.05 0.00 0.00 175.22 176.13 2ice s ILE 809 N -0.45 4.46 -0.31 -4.49 1.01 -1.26 -1.89 121.20 118.27 2ice s ILE 809 Ca -0.06 1.76 -0.16 0.00 0.00 0.00 0.00 60.65 62.20 2ice s ILE 809 Cb -0.03 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2ice s ILE 809 CO 0.05 -0.17 0.40 -0.62 0.00 0.00 0.00 174.94 174.60 2ice s ASP 810 N 1.64 6.24 -0.49 3.58 -1.08 0.77 -4.86 116.67 122.48 2ice s ASP 810 Ca 0.50 0.04 -0.06 0.00 -0.52 0.00 0.00 52.55 52.51 2ice s ASP 810 Cb -0.18 -2.22 0.13 0.00 -1.46 0.00 0.00 42.92 39.19 2ice s ASP 810 CO 0.11 -0.30 0.33 -0.22 0.52 0.00 0.00 175.17 175.61 2ice s LEU 811 N 2.12 5.54 -0.26 -1.34 2.96 -1.26 -0.22 118.68 126.21 2ice s LEU 811 Ca 0.15 -2.13 -0.26 0.00 -0.22 0.00 0.00 54.13 51.66 2ice s LEU 811 Cb -0.16 -1.94 0.00 0.00 0.50 0.00 0.00 46.19 44.60 2ice s LEU 811 CO 0.11 -0.59 0.93 -0.13 -1.32 0.00 0.00 176.35 175.35 2ice s ARG 812 N 1.03 4.15 0.05 1.98 1.81 -1.25 -5.01 118.95 121.70 2ice s ARG 812 Ca 0.09 1.03 0.08 0.00 -1.72 0.00 0.00 55.73 55.20 2ice s ARG 812 Cb -0.23 -3.67 -0.03 0.00 -0.45 0.00 0.00 34.95 30.56 2ice s ARG 812 CO -0.03 -0.65 -0.23 -0.51 -0.68 0.00 0.00 175.30 173.21 2ice s LEU 813 N 3.11 2.17 0.72 2.53 1.02 -1.26 -4.10 118.68 122.87 2ice s LEU 813 Ca 0.39 -0.55 -0.11 0.00 0.02 0.00 0.00 54.13 53.88 2ice s LEU 813 Cb -0.14 -1.08 0.02 0.00 0.02 0.00 0.00 46.19 45.00 2ice s LEU 813 CO 0.09 0.19 1.07 -2.84 0.02 0.00 0.00 176.35 174.88 2ice s PRO 814 N -1.22 2.75 0.02 1.29 0.02 -1.26 -5.02 135.00 131.57 2ice s PRO 814 Ca 0.09 0.99 -0.19 0.00 0.02 0.00 0.00 61.00 61.90 2ice s PRO 814 Cb -0.09 -1.97 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 2ice s PRO 814 CO 0.02 -1.24 1.12 -0.92 -0.33 0.00 0.00 177.00 175.65 2ice h TYR 815 N -0.83 -0.65 -3.94 6.54 3.20 -2.01 -3.44 116.97 115.85 2ice h TYR 815 Ca -0.44 -0.02 -0.68 0.00 3.14 0.00 0.00 58.73 60.73 2ice h TYR 815 Cb 1.22 0.22 -0.22 0.00 1.54 0.00 0.00 36.73 39.49 2ice h TYR 815 CO 0.60 -0.40 -0.78 -1.54 -1.64 0.00 0.00 178.16 174.40 2ice s SER 816 N -3.46 3.98 -0.09 -2.11 1.04 -1.26 -2.32 113.70 109.49 2ice s SER 816 Ca -0.10 -0.32 0.01 0.00 0.48 0.00 0.00 55.95 56.02 2ice s SER 816 Cb 0.01 -0.74 0.02 0.00 0.10 0.00 0.00 66.02 65.41 2ice s SER 816 CO 0.31 0.28 -0.11 0.68 0.98 0.00 0.00 173.24 175.38 2ice s VAL 817 N -0.89 1.14 0.05 5.02 -7.23 0.38 -4.99 120.40 113.88 2ice s VAL 817 Ca 0.14 -0.43 -0.31 0.00 -1.81 0.00 0.00 61.98 59.58 2ice s VAL 817 Cb -0.11 -1.08 -0.07 0.00 0.56 0.00 0.00 36.38 35.68 2ice s VAL 817 CO 0.04 0.37 1.48 0.68 -0.31 0.00 0.00 175.10 177.37 2ice s VAL 818 N 1.12 3.38 0.50 1.32 -7.23 -1.26 -0.76 120.40 117.47 2ice s VAL 818 Ca -0.06 0.85 -0.21 0.00 -1.81 0.00 0.00 61.98 60.75 2ice s VAL 818 Cb -0.14 -3.54 -0.09 0.00 0.56 0.00 0.00 36.38 33.17 2ice s VAL 818 CO -0.02 0.01 0.85 -1.14 -0.31 0.00 0.00 175.10 174.49 2ice n ARG 819 N 5.10 0.97 -1.48 4.82 0.63 -1.05 -3.10 116.66 122.55 2ice n ARG 819 Ca 0.14 0.36 -0.17 0.00 -0.92 0.00 0.00 57.85 57.26 2ice n ARG 819 Cb 0.42 -1.95 -0.07 0.00 0.45 0.00 0.00 32.46 31.31 2ice n ARG 819 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2ice n ASN 820 N 0.22 -5.22 -4.78 6.15 5.03 -0.77 -4.99 115.26 110.90 2ice n ASN 820 Ca 0.11 0.41 -0.37 0.00 0.87 0.00 0.00 54.58 55.60 2ice n ASN 820 Cb 0.43 -4.18 -0.07 0.00 -1.02 0.00 0.00 39.78 34.95 2ice n ASN 820 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 2ice s GLU 821 N -3.38 4.07 -0.42 3.52 2.12 -1.18 -4.95 118.70 118.47 2ice s GLU 821 Ca 0.00 0.17 -0.28 0.00 0.36 0.00 0.00 54.97 55.23 2ice s GLU 821 Cb 0.00 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 31.03 2ice s GLU 821 CO 0.00 0.42 1.84 -1.14 -0.54 0.00 0.00 175.26 175.84 2ice s GLN 822 N -0.11 3.07 -0.08 4.30 2.00 -1.26 -4.37 119.66 123.20 2ice s GLN 822 Ca 0.19 1.18 0.05 0.00 -2.00 0.00 0.00 55.36 54.78 2ice s GLN 822 Cb -0.14 -4.27 -0.00 0.00 0.80 0.00 0.00 33.01 29.40 2ice s GLN 822 CO 0.07 -2.18 -0.23 0.14 -0.50 0.00 0.00 175.29 172.59 2ice s VAL 823 N 7.77 1.95 -0.41 1.34 -7.23 -0.76 -5.03 120.40 118.03 2ice s VAL 823 Ca 0.77 -0.98 -0.10 0.00 -1.81 0.00 0.00 61.98 59.87 2ice s VAL 823 Cb -0.19 -1.67 0.07 0.00 0.56 0.00 0.00 36.38 35.14 2ice s VAL 823 CO 0.29 0.54 0.25 -0.70 -0.31 0.00 0.00 175.10 175.17 2ice s GLU 824 N 0.17 2.65 0.04 4.82 -6.30 -1.26 0.09 118.70 118.92 2ice s GLU 824 Ca -0.13 -1.38 -0.04 0.00 -2.50 0.00 0.00 54.97 50.93 2ice s GLU 824 Cb -0.16 -3.77 -0.05 0.00 0.00 0.00 0.00 34.13 30.16 2ice s GLU 824 CO 0.06 -0.90 0.26 0.96 0.02 0.00 0.00 175.26 175.67 2ice s ILE 825 N 1.45 5.32 0.55 -3.70 -4.36 -0.76 -4.87 121.20 114.84 2ice s ILE 825 Ca 0.03 -0.03 0.07 0.00 -0.26 0.00 0.00 60.65 60.46 2ice s ILE 825 Cb -0.22 -3.59 0.07 0.00 1.25 0.00 0.00 42.46 39.97 2ice s ILE 825 CO 0.03 0.25 0.76 -0.13 0.24 0.00 0.00 174.94 176.09 2ice s ARG 826 N -2.11 2.38 -0.31 0.37 1.81 -1.26 -0.54 118.95 119.29 2ice s ARG 826 Ca 0.31 -1.35 0.03 0.00 -1.72 0.00 0.00 55.73 53.00 2ice s ARG 826 Cb -0.13 -2.61 0.16 0.00 -0.45 0.00 0.00 34.95 31.92 2ice s ARG 826 CO 0.21 -0.77 0.43 0.00 -0.68 0.00 0.00 175.30 174.48 2ice s ALA 827 N -2.66 -1.22 0.36 2.13 0.00 -0.24 -3.87 121.76 116.26 2ice s ALA 827 Ca 0.60 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 52.36 2ice s ALA 827 Cb -0.07 -2.14 -0.09 0.00 0.00 0.00 0.00 23.12 20.81 2ice s ALA 827 CO 0.38 -1.85 1.12 0.08 0.00 0.00 0.00 175.76 175.49 2ice s VAL 828 N 2.34 3.37 -0.28 0.00 1.01 0.70 -0.95 120.40 126.59 2ice s VAL 828 Ca 0.11 1.19 0.01 0.00 0.00 0.00 0.00 61.98 63.29 2ice s VAL 828 Cb -0.12 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 32.65 2ice s VAL 828 CO -0.25 0.14 0.02 -0.76 0.00 0.00 0.00 175.10 174.25 2ice s LEU 829 N -2.22 2.87 0.33 3.92 1.02 -0.82 -0.16 118.68 123.61 2ice s LEU 829 Ca 0.54 -1.49 -0.06 0.00 0.02 0.00 0.00 54.13 53.13 2ice s LEU 829 Cb -0.29 -1.15 -0.05 0.00 0.02 0.00 0.00 46.19 44.71 2ice s LEU 829 CO 0.37 -0.32 0.61 -0.31 0.02 0.00 0.00 176.35 176.72 2ice s TYR 830 N 1.38 3.48 -0.29 0.29 2.02 -0.79 -2.92 117.35 120.51 2ice s TYR 830 Ca 0.02 0.74 -0.01 0.00 -0.37 0.00 0.00 57.07 57.45 2ice s TYR 830 Cb -0.18 -2.19 0.13 0.00 -0.40 0.00 0.00 41.96 39.32 2ice s TYR 830 CO -0.12 0.09 0.27 1.21 -1.57 0.00 0.00 175.55 175.43 2ice s ASN 831 N -3.22 2.01 -0.28 2.29 2.47 -0.96 -3.26 114.94 113.99 2ice s ASN 831 Ca 0.46 -0.89 0.11 0.00 0.42 0.00 0.00 52.86 52.96 2ice s ASN 831 Cb -0.11 0.35 0.57 0.00 -1.45 0.00 0.00 41.25 40.61 2ice s ASN 831 CO 0.31 -0.39 1.56 -1.22 -3.72 0.00 0.00 177.10 173.63 2ice n TYR 832 N 5.26 1.47 -1.70 0.43 4.02 -0.23 -0.15 117.16 126.26 2ice n TYR 832 Ca -0.02 -1.33 -0.39 0.00 -0.01 0.00 0.00 57.90 56.14 2ice n TYR 832 Cb 0.45 -0.52 0.04 0.00 -0.02 0.00 0.00 39.34 39.30 2ice n TYR 832 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2ice n ARG 833 N -0.78 1.51 0.00 -0.72 5.12 -1.23 -4.88 116.66 115.68 2ice n ARG 833 Ca 0.34 0.56 0.00 0.00 -1.93 0.00 0.00 57.85 56.81 2ice n ARG 833 Cb 1.12 -2.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 2ice n ARG 833 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2ice n GLN 834 N -0.76 0.00 -2.69 5.56 -0.06 -1.26 -4.32 117.38 113.84 2ice n GLN 834 Ca 0.11 0.43 -0.07 0.00 -2.00 0.00 0.00 57.00 55.47 2ice n GLN 834 Cb 0.44 -0.82 0.09 0.00 -4.06 0.00 0.00 30.24 25.89 2ice n GLN 834 CO 0.00 0.00 0.00 0.27 -0.20 0.00 0.00 177.06 177.13 2ice n ASN 835 N -1.12 -0.64 -3.80 1.69 6.94 -1.26 -4.81 115.26 112.26 2ice n ASN 835 Ca 0.00 -2.49 -0.12 0.00 -0.02 0.00 0.00 54.58 51.95 2ice n ASN 835 Cb 0.00 0.42 -0.10 0.00 -2.36 0.00 0.00 39.78 37.74 2ice n ASN 835 CO 0.00 0.00 0.00 -1.58 -1.03 0.00 0.00 177.26 174.65 2ice s GLN 836 N -1.06 0.43 0.22 -3.83 0.74 -1.26 -4.96 119.66 109.94 2ice s GLN 836 Ca 0.23 0.04 -0.11 0.00 0.05 0.00 0.00 55.36 55.56 2ice s GLN 836 Cb 0.42 0.19 -0.07 0.00 1.10 0.00 0.00 33.01 34.65 2ice s GLN 836 CO -0.05 -0.09 0.57 -1.83 -0.55 0.00 0.00 175.29 173.34 2ice s GLU 837 N -0.58 3.86 0.05 1.67 -1.05 -1.26 -4.12 118.70 117.26 2ice s GLU 837 Ca -0.07 0.36 0.05 0.00 -0.15 0.00 0.00 54.97 55.16 2ice s GLU 837 Cb -0.04 -2.68 -0.04 0.00 -0.44 0.00 0.00 34.13 30.94 2ice s GLU 837 CO 0.02 0.33 -0.07 -0.51 0.95 0.00 0.00 175.26 175.97 2ice s LEU 838 N -2.67 3.16 -0.46 1.83 1.43 -0.14 -4.99 118.68 116.83 2ice s LEU 838 Ca 0.46 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2ice s LEU 838 Cb -0.12 -1.87 0.12 0.00 0.03 0.00 0.00 46.19 44.35 2ice s LEU 838 CO 0.20 0.23 0.30 -0.54 0.23 0.00 0.00 176.35 176.77 2ice s LYS 839 N -1.81 2.30 -0.01 1.70 1.02 -1.26 -1.35 119.74 120.32 2ice s LYS 839 Ca 0.20 -1.85 0.01 0.00 0.02 0.00 0.00 55.97 54.34 2ice s LYS 839 Cb -0.11 -3.78 -0.04 0.00 -0.52 0.00 0.00 37.83 33.38 2ice s LYS 839 CO 0.11 -1.14 0.02 0.08 -0.92 0.00 0.00 175.35 173.50 2ice s VAL 840 N 1.16 4.31 -0.84 3.17 1.01 -0.94 -1.50 120.40 126.77 2ice s VAL 840 Ca 0.08 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.56 2ice s VAL 840 Cb -0.24 -2.92 0.21 0.00 0.00 0.00 0.00 36.38 33.43 2ice s VAL 840 CO -0.03 0.40 0.74 -1.14 0.00 0.00 0.00 175.10 175.07 2ice n ARG 841 N 1.46 2.49 -1.66 2.72 0.63 -0.60 -0.49 116.66 121.21 2ice n ARG 841 Ca -0.15 -4.50 -0.36 0.00 -0.92 0.00 0.00 57.85 51.92 2ice n ARG 841 Cb 0.53 -2.37 0.07 0.00 0.45 0.00 0.00 32.46 31.14 2ice n ARG 841 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2ice s VAL 842 N -1.56 2.16 -0.23 5.15 0.11 -0.40 -4.24 120.40 121.40 2ice s VAL 842 Ca 0.28 0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 59.35 2ice s VAL 842 Cb -0.04 -2.91 0.10 0.00 -1.53 0.00 0.00 36.38 32.00 2ice s VAL 842 CO -0.12 -0.03 0.47 -0.70 -3.33 0.00 0.00 175.10 171.39 2ice s GLU 843 N -3.55 0.39 0.27 1.54 2.12 -0.45 -0.86 118.70 118.17 2ice s GLU 843 Ca 0.79 1.11 -0.29 0.00 0.36 0.00 0.00 54.97 56.94 2ice s GLU 843 Cb -0.34 0.42 -0.10 0.00 0.26 0.00 0.00 34.13 34.38 2ice s GLU 843 CO 0.41 -0.27 1.28 -1.17 -0.54 0.00 0.00 175.26 174.97 2ice s LEU 844 N 2.68 4.44 0.30 2.70 2.96 -1.09 -1.78 118.68 128.89 2ice s LEU 844 Ca -0.01 2.51 0.04 0.00 -0.22 0.00 0.00 54.13 56.45 2ice s LEU 844 Cb -0.12 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 2ice s LEU 844 CO -0.15 -0.47 0.44 -0.22 -1.32 0.00 0.00 176.35 174.64 2ice s LEU 845 N -1.06 4.15 1.15 -0.68 2.96 -1.06 -4.02 118.68 120.12 2ice s LEU 845 Ca 0.51 0.14 -0.15 0.00 -0.22 0.00 0.00 54.13 54.41 2ice s LEU 845 Cb -0.37 -2.97 0.26 0.00 0.50 0.00 0.00 46.19 43.61 2ice s LEU 845 CO 0.45 -0.22 1.06 -2.28 -1.32 0.00 0.00 176.35 174.03 2ice s HIS 846 N -2.13 1.22 -0.30 5.38 5.04 -1.26 -4.81 115.29 118.43 2ice s HIS 846 Ca 0.38 0.87 -0.12 0.00 -1.54 0.00 0.00 55.06 54.65 2ice s HIS 846 Cb -0.09 -3.21 0.17 0.00 0.04 0.00 0.00 32.58 29.48 2ice s HIS 846 CO 0.32 -3.68 0.91 1.21 -2.34 0.00 0.00 174.74 171.16 2ice s ASN 847 N -3.24 -0.72 0.25 9.88 3.84 -1.26 -4.90 114.94 118.79 2ice s ASN 847 Ca 0.68 0.80 -0.03 0.00 0.21 0.00 0.00 52.86 54.52 2ice s ASN 847 Cb -0.18 1.75 0.44 0.00 -0.55 0.00 0.00 41.25 42.71 2ice s ASN 847 CO 0.59 -0.14 1.79 1.55 -2.79 0.00 0.00 177.10 178.11 2ice h PRO 848 N 7.72 0.69 -0.86 0.43 0.13 -1.98 0.26 132.00 138.39 2ice h PRO 848 Ca -0.16 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2ice h PRO 848 Cb 1.13 -0.16 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2ice h PRO 848 CO 0.07 0.46 0.00 0.00 -0.23 0.00 0.00 178.00 178.30 2ice n ALA 849 N -2.40 2.98 -2.47 -0.56 0.00 -1.26 -4.86 120.51 111.93 2ice n ALA 849 Ca 0.15 -0.65 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 2ice n ALA 849 Cb 0.34 -1.04 -0.11 0.00 0.00 0.00 0.00 19.45 18.63 2ice n ALA 849 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2ice s PHE 850 N -1.60 1.33 -0.17 0.00 0.40 0.92 -2.33 117.98 116.53 2ice s PHE 850 Ca 0.19 -0.59 0.01 0.00 -0.60 0.00 0.00 56.93 55.93 2ice s PHE 850 Cb 0.14 -0.70 0.03 0.00 0.51 0.00 0.00 43.02 43.00 2ice s PHE 850 CO 0.05 0.12 -0.14 0.00 0.70 0.00 0.00 175.22 175.96 2ice n SER 852 N 4.73 -1.57 -0.21 0.00 7.64 -1.26 -0.29 113.62 122.66 2ice n SER 852 Ca -0.17 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.18 2ice n SER 852 Cb 0.49 2.75 0.00 0.00 -1.01 0.00 0.00 64.21 66.43 2ice n SER 852 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2ice n LEU 853 N 0.00 0.15 -4.34 -3.43 4.77 -1.26 -4.66 117.00 108.23 2ice n LEU 853 Ca -0.03 -0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.54 2ice n LEU 853 Cb 0.52 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 2ice n LEU 853 CO 0.25 0.04 -0.44 0.00 -1.33 0.00 0.00 177.39 175.90 2ice s ALA 854 N -1.58 2.63 0.52 -1.18 0.00 -1.26 -4.39 121.76 116.50 2ice s ALA 854 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2ice s ALA 854 Cb 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 23.12 21.81 2ice s ALA 854 CO 0.00 0.07 0.02 0.95 0.00 0.00 0.00 175.76 176.79 2ice s THR 855 N 0.64 0.95 -1.78 0.00 -4.23 -1.13 -4.83 115.64 105.27 2ice s THR 855 Ca -0.07 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.68 2ice s THR 855 Cb -0.15 -2.03 0.56 0.00 1.34 0.00 0.00 72.50 72.22 2ice s THR 855 CO 0.03 0.00 1.76 1.07 -0.54 0.00 0.00 174.62 176.94 2ice n THR 856 N -1.28 0.12 0.01 3.99 5.66 -1.26 -3.91 114.28 117.61 2ice n THR 856 Ca -0.20 0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.83 2ice n THR 856 Cb 0.67 -0.66 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 2ice n THR 856 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2ice n LYS 857 N -1.11 0.00 -2.63 1.09 5.02 -1.26 -5.09 118.16 114.18 2ice n LYS 857 Ca 0.15 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 56.12 2ice n LYS 857 Cb 0.12 -0.41 -0.04 0.00 -0.02 0.00 0.00 35.03 34.67 2ice n LYS 857 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2ice s ARG 858 N -2.00 3.95 -0.05 1.97 3.52 -1.25 -5.08 118.95 120.01 2ice s ARG 858 Ca 0.00 0.84 0.04 0.00 -0.13 0.00 0.00 55.73 56.48 2ice s ARG 858 Cb 0.00 -2.23 -0.02 0.00 -1.56 0.00 0.00 34.95 31.14 2ice s ARG 858 CO 0.00 -0.15 -0.16 1.03 -0.81 0.00 0.00 175.30 175.21 2ice s ARG 859 N -3.80 2.52 -1.24 5.12 0.52 -1.26 -2.86 118.95 117.95 2ice s ARG 859 Ca 0.57 -0.73 -0.06 0.00 -0.52 0.00 0.00 55.73 54.99 2ice s ARG 859 Cb -0.10 -2.35 0.19 0.00 0.52 0.00 0.00 34.95 33.21 2ice s ARG 859 CO 0.28 0.57 2.05 1.58 0.02 0.00 0.00 175.30 179.80 2ice n HIS 860 N 2.44 2.67 -3.87 -0.53 -0.00 -1.26 -4.96 115.22 109.72 2ice n HIS 860 Ca -0.17 -2.74 -0.36 0.00 -0.00 0.00 0.00 57.72 54.45 2ice n HIS 860 Cb 0.52 -1.71 -0.14 0.00 -0.00 0.00 0.00 29.99 28.67 2ice n HIS 860 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2ice s GLN 861 N -1.36 3.28 -0.05 1.57 -2.07 -1.26 -2.68 119.66 117.10 2ice s GLN 861 Ca 0.45 -0.70 -0.02 0.00 -1.82 0.00 0.00 55.36 53.27 2ice s GLN 861 Cb 0.14 -3.12 -0.04 0.00 -1.09 0.00 0.00 33.01 28.91 2ice s GLN 861 CO -0.04 -0.27 0.08 -0.65 -1.32 0.00 0.00 175.29 173.08 2ice s GLN 862 N 1.48 3.14 -0.49 9.60 1.11 -0.04 -4.99 119.66 129.48 2ice s GLN 862 Ca 0.04 -0.39 -0.16 0.00 0.01 0.00 0.00 55.36 54.87 2ice s GLN 862 Cb -0.15 -2.92 0.08 0.00 -1.01 0.00 0.00 33.01 29.01 2ice s GLN 862 CO -0.01 0.69 0.43 0.99 0.01 0.00 0.00 175.29 177.40 2ice s THR 863 N -1.10 5.20 0.51 -0.19 2.01 -1.26 -1.28 115.64 119.53 2ice s THR 863 Ca 0.19 -1.11 0.07 0.00 0.31 0.00 0.00 61.69 61.15 2ice s THR 863 Cb -0.12 -4.18 0.03 0.00 0.01 0.00 0.00 72.50 68.24 2ice s THR 863 CO 0.10 -0.65 0.45 0.68 -0.69 0.00 0.00 174.62 174.51 2ice s VAL 864 N 1.71 2.04 -0.11 3.82 -7.23 0.35 -4.99 120.40 116.00 2ice s VAL 864 Ca 0.05 -1.37 -0.04 0.00 -1.81 0.00 0.00 61.98 58.81 2ice s VAL 864 Cb -0.25 -2.41 0.05 0.00 0.56 0.00 0.00 36.38 34.33 2ice s VAL 864 CO 0.06 0.00 0.08 -0.89 -0.31 0.00 0.00 175.10 174.04 2ice s THR 865 N -2.67 -0.10 -0.25 5.32 2.01 -1.26 -2.20 115.64 116.49 2ice s THR 865 Ca 0.43 0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.44 2ice s THR 865 Cb -0.03 -0.36 -0.05 0.00 0.01 0.00 0.00 72.50 72.07 2ice s THR 865 CO 0.26 -0.05 0.21 -0.63 -0.69 0.00 0.00 174.62 173.72 2ice s ILE 866 N 2.16 5.31 1.22 1.82 1.01 -0.46 -4.99 121.20 127.27 2ice s ILE 866 Ca 0.04 0.28 -0.20 0.00 0.00 0.00 0.00 60.65 60.76 2ice s ILE 866 Cb -0.14 -3.55 0.29 0.00 0.01 0.00 0.00 42.46 39.07 2ice s ILE 866 CO -0.06 0.30 1.12 -2.84 0.00 0.00 0.00 174.94 173.46 2ice s PRO 867 N 1.33 -1.34 0.37 2.79 0.02 -1.26 -0.97 135.00 135.94 2ice s PRO 867 Ca 0.09 -0.15 -0.28 0.00 0.02 0.00 0.00 61.00 60.69 2ice s PRO 867 Cb -0.14 -1.59 -0.10 0.00 0.02 0.00 0.00 34.50 32.69 2ice s PRO 867 CO 0.07 -3.77 1.32 -2.14 -0.33 0.00 0.00 177.00 172.15 2ice s PRO 868 N -5.48 4.17 -1.33 5.54 0.02 -1.26 -4.11 135.00 132.56 2ice s PRO 868 Ca 0.72 2.23 -0.03 0.00 0.02 0.00 0.00 61.00 63.93 2ice s PRO 868 Cb -0.08 -2.93 0.01 0.00 0.02 0.00 0.00 34.50 31.52 2ice s PRO 868 CO 0.56 -0.34 0.84 1.63 -0.33 0.00 0.00 177.00 179.35 2ice n LYS 869 N 0.49 -5.55 -3.70 5.54 5.02 0.78 -4.97 118.16 115.77 2ice n LYS 869 Ca 0.02 0.67 -0.11 0.00 -2.02 0.00 0.00 58.31 56.87 2ice n LYS 869 Cb 0.42 -5.41 -0.06 0.00 -0.02 0.00 0.00 35.03 29.97 2ice n LYS 869 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2ice s SER 870 N -4.12 -0.18 0.58 4.39 1.04 -1.05 -4.98 113.70 109.38 2ice s SER 870 Ca 0.15 -0.23 0.08 0.00 0.48 0.00 0.00 55.95 56.44 2ice s SER 870 Cb -0.07 0.41 0.08 0.00 0.10 0.00 0.00 66.02 66.54 2ice s SER 870 CO 0.79 -0.72 0.80 -0.94 0.98 0.00 0.00 173.24 174.15 2ice s SER 871 N -2.37 5.07 -0.30 7.02 1.04 -1.26 -2.26 113.70 120.63 2ice s SER 871 Ca -0.01 -0.76 -0.11 0.00 0.48 0.00 0.00 55.95 55.55 2ice s SER 871 Cb 0.01 0.18 0.18 0.00 0.10 0.00 0.00 66.02 66.49 2ice s SER 871 CO -0.07 -1.35 1.02 -0.22 0.98 0.00 0.00 173.24 173.60 2ice s LEU 872 N -4.69 -0.52 -0.37 2.42 0.20 -1.15 -4.93 118.68 109.65 2ice s LEU 872 Ca 0.62 0.21 -0.24 0.00 0.69 0.00 0.00 54.13 55.41 2ice s LEU 872 Cb -0.06 1.39 0.01 0.00 -0.43 0.00 0.00 46.19 47.10 2ice s LEU 872 CO 0.39 -0.10 0.85 -0.44 -0.29 0.00 0.00 176.35 176.76 2ice s SER 873 N 2.95 6.61 -0.35 3.68 0.01 -1.26 -1.94 113.70 123.40 2ice s SER 873 Ca 0.10 0.46 -0.17 0.00 1.31 0.00 0.00 55.95 57.64 2ice s SER 873 Cb -0.08 -2.43 -0.00 0.00 0.21 0.00 0.00 66.02 63.72 2ice s SER 873 CO -0.16 -0.79 0.48 -0.69 0.41 0.00 0.00 173.24 172.50 2ice s VAL 874 N 3.26 5.05 0.28 3.43 1.01 -0.13 -4.87 120.40 128.43 2ice s VAL 874 Ca 0.34 0.25 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 2ice s VAL 874 Cb -0.13 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.22 2ice s VAL 874 CO 0.18 -0.20 0.77 -2.16 0.00 0.00 0.00 175.10 173.68 2ice s PRO 875 N 2.31 4.21 -0.21 2.72 0.05 -1.26 -1.08 135.00 141.73 2ice s PRO 875 Ca 0.17 0.88 -0.05 0.00 0.05 0.00 0.00 61.00 62.05 2ice s PRO 875 Cb -0.16 -2.67 0.08 0.00 0.05 0.00 0.00 34.50 31.80 2ice s PRO 875 CO 0.13 0.27 0.12 0.71 0.05 0.00 0.00 177.00 178.28 2ice s TYR 876 N -1.73 0.17 -0.22 0.56 2.02 0.29 -4.97 117.35 113.47 2ice s TYR 876 Ca 0.49 -0.43 -0.29 0.00 -0.37 0.00 0.00 57.07 56.47 2ice s TYR 876 Cb -0.14 -0.72 0.00 0.00 -0.40 0.00 0.00 41.96 40.70 2ice s TYR 876 CO 0.19 -0.62 1.16 0.14 -1.57 0.00 0.00 175.55 174.85 2ice s VAL 877 N 2.15 4.45 0.32 0.71 -7.23 -1.26 -1.82 120.40 117.72 2ice s VAL 877 Ca 0.05 1.74 0.09 0.00 -1.81 0.00 0.00 61.98 62.05 2ice s VAL 877 Cb -0.16 -4.18 -0.05 0.00 0.56 0.00 0.00 36.38 32.55 2ice s VAL 877 CO -0.18 -0.22 0.01 0.27 -0.31 0.00 0.00 175.10 174.67 2ice s ILE 878 N 3.48 2.86 -0.19 -0.62 -4.36 0.11 -4.43 121.20 118.06 2ice s ILE 878 Ca 0.50 -1.95 -0.04 0.00 -0.26 0.00 0.00 60.65 58.90 2ice s ILE 878 Cb -0.17 -2.80 0.09 0.00 1.25 0.00 0.00 42.46 40.83 2ice s ILE 878 CO 0.12 -0.25 0.26 -0.69 0.24 0.00 0.00 174.94 174.62 2ice s VAL 879 N -2.46 -0.39 0.58 8.37 1.01 0.60 -1.82 120.40 126.29 2ice s VAL 879 Ca 0.34 -0.00 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 2ice s VAL 879 Cb -0.02 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2ice s VAL 879 CO 0.20 -0.11 0.97 -2.16 0.00 0.00 0.00 175.10 174.00 2ice s PRO 880 N 2.39 3.61 -0.43 2.72 0.04 -1.26 -0.04 135.00 142.02 2ice s PRO 880 Ca 0.06 0.64 0.07 0.00 0.04 0.00 0.00 61.00 61.81 2ice s PRO 880 Cb -0.15 -2.15 0.34 0.00 0.04 0.00 0.00 34.50 32.58 2ice s PRO 880 CO -0.12 -0.47 1.21 1.47 0.04 0.00 0.00 177.00 179.13 2ice n LEU 881 N -2.56 -2.13 -3.58 -3.56 -0.00 -0.98 -1.85 117.00 102.33 2ice n LEU 881 Ca 0.05 -3.49 -0.06 0.00 -0.00 0.00 0.00 56.01 52.50 2ice n LEU 881 Cb 0.54 0.66 -0.02 0.00 -0.00 0.00 0.00 43.42 44.61 2ice n LEU 881 CO 0.56 1.98 0.73 -0.75 -0.00 0.00 0.00 177.39 179.91 2ice s LYS 882 N 0.23 0.88 0.29 1.47 2.20 -1.26 -4.92 119.74 118.64 2ice s LYS 882 Ca 0.21 -0.39 0.07 0.00 -0.36 0.00 0.00 55.97 55.51 2ice s LYS 882 Cb 0.32 0.37 -0.03 0.00 -1.51 0.00 0.00 37.83 36.97 2ice s LYS 882 CO -0.07 -0.39 0.23 -0.08 -0.36 0.00 0.00 175.35 174.67 2ice s THR 883 N -3.11 3.94 0.00 3.43 -1.32 -1.26 -4.63 115.64 112.70 2ice s THR 883 Ca 0.08 -1.43 0.00 0.00 -1.21 0.00 0.00 61.69 59.13 2ice s THR 883 Cb -0.01 -3.26 0.00 0.00 -1.51 0.00 0.00 72.50 67.72 2ice s THR 883 CO -0.05 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 2ice n GLY 884 N -1.25 1.66 3.52 6.08 0.00 0.68 -4.78 105.19 111.10 2ice n GLY 884 Ca -0.05 -0.65 -0.35 0.00 0.00 0.00 0.00 46.02 44.97 2ice n GLY 884 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2ice s LEU 885 N 0.00 3.48 0.04 0.99 2.96 -1.26 -0.41 118.68 124.47 2ice s LEU 885 Ca 0.00 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2ice s LEU 885 Cb 0.00 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.78 2ice s LEU 885 CO 0.00 0.11 -0.00 -1.10 -1.32 0.00 0.00 176.35 174.03 2ice s GLN 886 N 0.76 0.49 -0.03 1.98 -1.52 -0.46 -4.97 119.66 115.92 2ice s GLN 886 Ca 0.01 -0.88 -0.03 0.00 -1.95 0.00 0.00 55.36 52.52 2ice s GLN 886 Cb -0.14 0.18 -0.04 0.00 -0.22 0.00 0.00 33.01 32.79 2ice s GLN 886 CO 0.02 -0.10 0.13 -2.00 -0.25 0.00 0.00 175.29 173.10 2ice s GLU 887 N -2.67 3.29 0.03 2.91 2.12 -1.26 -1.73 118.70 121.38 2ice s GLU 887 Ca -0.05 -0.35 0.04 0.00 0.36 0.00 0.00 54.97 54.97 2ice s GLU 887 Cb -0.01 -3.02 -0.02 0.00 0.26 0.00 0.00 34.13 31.35 2ice s GLU 887 CO -0.05 0.68 -0.11 0.08 -0.54 0.00 0.00 175.26 175.32 2ice s VAL 888 N -1.21 0.89 -0.35 3.70 1.01 -0.09 -4.98 120.40 119.37 2ice s VAL 888 Ca 0.23 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.37 2ice s VAL 888 Cb -0.12 -0.83 0.17 0.00 0.00 0.00 0.00 36.38 35.60 2ice s VAL 888 CO 0.14 -0.05 0.50 -0.70 0.00 0.00 0.00 175.10 174.99 2ice s GLU 889 N -1.05 0.63 0.34 2.72 2.12 -1.26 -2.18 118.70 120.02 2ice s GLU 889 Ca -0.01 -0.21 0.01 0.00 0.36 0.00 0.00 54.97 55.13 2ice s GLU 889 Cb -0.07 -0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.08 2ice s GLU 889 CO 0.01 -1.13 0.53 0.14 -0.54 0.00 0.00 175.26 174.26 2ice s VAL 890 N 2.05 5.05 -0.12 3.70 -7.23 -1.16 -2.55 120.40 120.15 2ice s VAL 890 Ca 0.14 -0.54 -0.06 0.00 -1.81 0.00 0.00 61.98 59.70 2ice s VAL 890 Cb -0.10 -3.84 0.05 0.00 0.56 0.00 0.00 36.38 33.05 2ice s VAL 890 CO -0.15 -0.51 0.28 -0.54 -0.31 0.00 0.00 175.10 173.87 2ice s LYS 891 N -4.28 0.24 0.55 4.82 1.02 -0.73 -1.95 119.74 119.41 2ice s LYS 891 Ca 0.40 0.57 0.07 0.00 0.02 0.00 0.00 55.97 57.03 2ice s LYS 891 Cb -0.10 -0.09 0.05 0.00 -0.52 0.00 0.00 37.83 37.17 2ice s LYS 891 CO 0.35 -0.16 0.53 0.00 -0.92 0.00 0.00 175.35 175.15 2ice s ALA 892 N 1.25 4.50 -0.29 5.17 0.00 -1.14 -1.34 121.76 129.91 2ice s ALA 892 Ca -0.09 -1.59 -0.21 0.00 0.00 0.00 0.00 51.96 50.07 2ice s ALA 892 Cb -0.10 -0.99 0.18 0.00 0.00 0.00 0.00 23.12 22.21 2ice s ALA 892 CO -0.09 -0.57 1.25 0.00 0.00 0.00 0.00 175.76 176.35 2ice s ALA 893 N -2.72 -2.35 0.55 0.00 0.00 -1.26 -3.14 121.76 112.85 2ice s ALA 893 Ca 0.44 1.89 0.04 0.00 0.00 0.00 0.00 51.96 54.33 2ice s ALA 893 Cb -0.03 -1.79 0.05 0.00 0.00 0.00 0.00 23.12 21.34 2ice s ALA 893 CO 0.27 -0.23 0.76 0.14 0.00 0.00 0.00 175.76 176.71 2ice s VAL 894 N 0.60 2.59 -0.06 0.00 -7.23 -1.19 -1.56 120.40 113.54 2ice s VAL 894 Ca -0.01 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 2ice s VAL 894 Cb -0.04 -2.80 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 2ice s VAL 894 CO -0.12 0.00 -0.04 -0.31 -0.31 0.00 0.00 175.10 174.31 2ice s TYR 895 N -2.71 3.00 -2.18 2.82 1.51 -0.56 -4.40 117.35 114.83 2ice s TYR 895 Ca 0.59 0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.72 2ice s TYR 895 Cb -0.09 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 2ice s TYR 895 CO 0.38 0.38 0.00 0.72 -1.11 0.00 0.00 175.55 175.92 2ice n HIS 896 N 2.11 -0.06 -3.86 2.71 8.25 -1.11 -4.71 115.22 118.55 2ice n HIS 896 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.17 2ice n HIS 896 Cb 0.53 -3.49 -0.10 0.00 1.12 0.00 0.00 29.99 28.05 2ice n HIS 896 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ice s HIS 897 N -2.77 0.00 -2.01 4.41 3.76 -1.26 -5.03 115.29 112.39 2ice s HIS 897 Ca 0.00 -0.03 0.04 0.00 -0.15 0.00 0.00 55.06 54.92 2ice s HIS 897 Cb 0.00 -0.03 0.18 0.00 1.11 0.00 0.00 32.58 33.84 2ice s HIS 897 CO 0.00 -0.25 1.13 0.34 -0.85 0.00 0.00 174.74 175.11 2ice n PHE 898 N 1.76 0.07 -2.56 1.40 7.35 -1.26 -4.63 117.46 119.58 2ice n PHE 898 Ca -0.21 -0.04 -0.33 0.00 -0.76 0.00 0.00 57.45 56.12 2ice n PHE 898 Cb 0.56 0.00 -0.05 0.00 0.35 0.00 0.00 39.48 40.34 2ice n PHE 898 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2ice s ILE 899 N -1.93 4.43 0.16 -2.13 -1.09 -1.26 -5.01 121.20 114.37 2ice s ILE 899 Ca 0.07 1.32 -0.24 0.00 -2.23 0.00 0.00 60.65 59.56 2ice s ILE 899 Cb 0.04 -3.65 0.06 0.00 -1.58 0.00 0.00 42.46 37.32 2ice s ILE 899 CO 0.05 -0.52 0.96 -0.94 -1.23 0.00 0.00 174.94 173.26 2ice s SER 900 N -2.67 -0.16 0.34 3.58 1.04 -1.26 -3.17 113.70 111.40 2ice s SER 900 Ca 0.61 -0.45 -0.02 0.00 0.48 0.00 0.00 55.95 56.57 2ice s SER 900 Cb -0.10 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2ice s SER 900 CO 0.24 -0.94 0.47 -0.67 0.98 0.00 0.00 173.24 173.32 2ice n ASP 901 N -0.55 -1.31 -3.58 7.02 4.64 -1.19 -4.97 116.55 116.62 2ice n ASP 901 Ca -0.06 -2.82 0.01 0.00 -1.38 0.00 0.00 54.79 50.54 2ice n ASP 901 Cb 0.61 2.45 -0.06 0.00 -1.04 0.00 0.00 41.12 43.07 2ice n ASP 901 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 2ice s GLY 902 N -3.09 0.32 -0.01 0.27 0.00 -1.26 -2.87 107.32 100.68 2ice s GLY 902 Ca 0.28 3.53 0.08 0.00 0.00 0.00 0.00 44.72 48.60 2ice s GLY 902 CO 0.20 2.82 -0.24 0.14 0.00 0.00 0.00 173.10 176.02 2ice s VAL 903 N 1.37 1.91 -0.34 1.40 1.01 -0.82 0.81 120.40 125.74 2ice s VAL 903 Ca -0.07 -1.06 -0.01 0.00 0.00 0.00 0.00 61.98 60.84 2ice s VAL 903 Cb -0.03 -1.59 0.13 0.00 0.00 0.00 0.00 36.38 34.89 2ice s VAL 903 CO -0.13 0.51 0.18 -0.60 0.00 0.00 0.00 175.10 175.07 2ice s ARG 904 N -0.64 0.50 0.17 2.72 3.52 -0.65 -2.97 118.95 121.61 2ice s ARG 904 Ca 0.09 -1.11 0.06 0.00 -0.13 0.00 0.00 55.73 54.64 2ice s ARG 904 Cb -0.09 -1.37 -0.04 0.00 -1.56 0.00 0.00 34.95 31.89 2ice s ARG 904 CO -0.01 -1.13 0.12 0.15 -0.81 0.00 0.00 175.30 173.62 2ice s LYS 905 N 1.37 2.82 -0.29 5.12 1.02 -0.93 -4.62 119.74 124.24 2ice s LYS 905 Ca 0.15 -0.92 0.03 0.00 0.02 0.00 0.00 55.97 55.24 2ice s LYS 905 Cb -0.21 -2.59 0.08 0.00 -0.52 0.00 0.00 37.83 34.59 2ice s LYS 905 CO -0.12 0.47 -0.03 -1.12 -0.92 0.00 0.00 175.35 173.64 2ice s SER 906 N -3.12 4.40 0.63 2.83 0.01 -1.26 -0.91 113.70 116.27 2ice s SER 906 Ca 0.30 -1.63 -0.03 0.00 1.31 0.00 0.00 55.95 55.90 2ice s SER 906 Cb -0.10 -1.44 0.04 0.00 0.21 0.00 0.00 66.02 64.73 2ice s SER 906 CO 0.23 -0.28 0.90 -1.48 0.41 0.00 0.00 173.24 173.01 2ice s LEU 907 N 1.14 3.06 -0.18 2.44 2.34 -0.71 -4.80 118.68 121.96 2ice s LEU 907 Ca 0.00 0.30 -0.11 0.00 0.06 0.00 0.00 54.13 54.38 2ice s LEU 907 Cb -0.19 -3.06 -0.05 0.00 -0.56 0.00 0.00 46.19 42.32 2ice s LEU 907 CO -0.08 -1.34 0.18 -0.54 -1.06 0.00 0.00 176.35 173.51 2ice s LYS 908 N -5.02 4.17 -0.13 1.48 1.02 -0.98 -1.35 119.74 118.94 2ice s LYS 908 Ca 0.58 -0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.44 2ice s LYS 908 Cb -0.11 -3.41 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2ice s LYS 908 CO 0.42 0.31 -0.08 0.08 -0.92 0.00 0.00 175.35 175.16 2ice s VAL 909 N 0.31 3.54 -0.01 3.17 1.01 0.46 -0.47 120.40 128.41 2ice s VAL 909 Ca 0.11 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2ice s VAL 909 Cb -0.12 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.77 2ice s VAL 909 CO 0.00 0.53 0.01 0.54 0.00 0.00 0.00 175.10 176.18 2ice s VAL 910 N 0.10 -0.01 1.19 2.92 0.11 0.06 -0.23 120.40 124.53 2ice s VAL 910 Ca -0.03 0.05 -0.15 0.00 -2.93 0.00 0.00 61.98 58.92 2ice s VAL 910 Cb -0.14 -0.04 0.28 0.00 -1.53 0.00 0.00 36.38 34.96 2ice s VAL 910 CO 0.04 0.02 1.03 -2.84 -3.33 0.00 0.00 175.10 170.02 2ice s PRO 911 N 0.27 -1.12 0.00 1.54 0.02 -1.26 -2.52 135.00 131.93 2ice s PRO 911 Ca -0.02 0.51 0.29 0.00 0.02 0.00 0.00 61.00 61.79 2ice s PRO 911 Cb -0.03 -1.56 1.22 0.00 0.02 0.00 0.00 34.50 34.15 2ice s PRO 911 CO -0.01 -3.77 1.84 0.39 -0.33 0.00 0.00 177.00 175.12