#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bsx n ARG 829 N 0.00 -2.76 -3.63 1.61 1.74 -1.26 -5.06 116.66 107.30 3bsx n ARG 829 Ca 0.00 -1.41 -0.23 0.00 -0.77 0.00 0.00 57.85 55.43 3bsx n ARG 829 Cb 0.00 -1.33 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 3bsx n ARG 829 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3bsx s SER 830 N -3.88 6.32 0.24 0.55 1.04 -1.26 -4.90 113.70 111.80 3bsx s SER 830 Ca 0.57 0.31 -0.06 0.00 0.48 0.00 0.00 55.95 57.26 3bsx s SER 830 Cb -0.06 -1.97 0.34 0.00 0.10 0.00 0.00 66.02 64.44 3bsx s SER 830 CO 0.44 -0.18 1.82 0.08 0.98 0.00 0.00 173.24 176.39 3bsx h ARG 831 N 1.10 0.80 -0.81 4.02 -0.00 -1.97 0.44 114.38 117.95 3bsx h ARG 831 Ca -0.50 -0.05 0.05 0.00 -0.00 0.00 0.00 59.98 59.48 3bsx h ARG 831 Cb 1.22 -0.18 -0.06 0.00 -0.00 0.00 0.00 29.97 30.95 3bsx h ARG 831 CO 0.62 0.53 0.50 1.25 -0.00 0.00 0.00 179.97 182.88 3bsx h LEU 832 N 0.83 0.79 0.02 0.08 5.85 -1.98 0.89 115.31 121.80 3bsx h LEU 832 Ca 0.37 0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.97 3bsx h LEU 832 Cb 0.26 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.15 3bsx h LEU 832 CO -0.21 0.52 -0.53 0.25 -0.34 0.00 0.00 178.44 178.13 3bsx h LEU 833 N 0.93 0.43 -0.44 2.25 5.85 -1.69 -2.25 115.31 120.39 3bsx h LEU 833 Ca 0.35 -0.81 0.04 0.00 0.84 0.00 0.00 57.88 58.30 3bsx h LEU 833 Cb 0.14 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3bsx h LEU 833 CO -0.16 1.18 0.21 -0.33 -0.34 0.00 0.00 178.44 179.00 3bsx h GLU 834 N -0.28 0.41 -0.85 1.25 4.39 -0.01 -0.54 114.58 118.94 3bsx h GLU 834 Ca -0.07 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.68 3bsx h GLU 834 Cb 1.28 -0.09 -0.06 0.00 -0.10 0.00 0.00 28.75 29.78 3bsx h GLU 834 CO 0.10 0.27 0.56 -0.44 -1.16 0.00 0.00 179.01 178.34 3bsx h ASP 835 N 0.42 0.79 -0.43 1.42 3.32 0.72 -1.40 116.42 121.26 3bsx h ASP 835 Ca 0.19 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 3bsx h ASP 835 Cb 0.11 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3bsx h ASP 835 CO -0.14 0.49 -0.28 0.15 -1.72 0.00 0.00 179.24 177.73 3bsx h PHE 836 N 0.89 1.12 -0.72 4.55 3.57 -0.90 -1.48 116.94 123.96 3bsx h PHE 836 Ca 0.38 -0.30 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3bsx h PHE 836 Cb 0.33 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 3bsx h PHE 836 CO -0.00 1.12 0.29 0.00 -2.23 0.00 0.00 178.31 177.48 3bsx h ARG 837 N 0.81 1.08 -2.68 1.11 2.47 -0.55 -3.00 114.38 113.62 3bsx h ARG 837 Ca 0.09 -0.20 -0.74 0.00 -1.26 0.00 0.00 59.98 57.87 3bsx h ARG 837 Cb 0.86 -0.17 -0.12 0.00 -1.65 0.00 0.00 29.97 28.89 3bsx h ARG 837 CO 0.08 0.89 2.42 0.09 0.56 0.00 0.00 179.97 184.00 3bsx n ASN 838 N -4.35 7.89 -1.01 7.04 3.02 -0.58 -4.89 115.26 122.37 3bsx n ASN 838 Ca 0.06 -3.13 0.00 0.00 -0.03 0.00 0.00 54.58 51.48 3bsx n ASN 838 Cb 0.18 -1.37 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 3bsx n ASN 838 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3bsx n ASN 839 N 1.88 0.00 -0.44 6.41 2.85 -1.13 -4.70 115.26 120.12 3bsx n ASN 839 Ca 0.61 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 55.11 3bsx n ASN 839 Cb 0.25 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.35 3bsx n ASN 839 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3bsx n ARG 840 N -0.31 1.52 -3.07 1.20 5.12 -0.57 -4.50 116.66 116.05 3bsx n ARG 840 Ca 0.00 -0.65 -0.13 0.00 -1.93 0.00 0.00 57.85 55.14 3bsx n ARG 840 Cb 0.00 -1.27 -0.04 0.00 -1.16 0.00 0.00 32.46 30.00 3bsx n ARG 840 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3bsx s TYR 841 N -1.68 -0.57 -0.47 -1.55 2.02 -1.26 -4.98 117.35 108.86 3bsx s TYR 841 Ca 0.12 -1.14 0.23 0.00 -0.37 0.00 0.00 57.07 55.92 3bsx s TYR 841 Cb 0.07 -0.18 0.37 0.00 -0.40 0.00 0.00 41.96 41.82 3bsx s TYR 841 CO 0.07 -1.09 1.55 -1.00 -1.57 0.00 0.00 175.55 173.51 3bsx h PRO 842 N 5.58 0.00 -0.50 -1.71 0.13 -1.99 -3.25 132.00 130.27 3bsx h PRO 842 Ca 0.13 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.20 3bsx h PRO 842 Cb 1.04 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.14 3bsx h PRO 842 CO 0.16 0.00 0.06 0.09 -0.23 0.00 0.00 178.00 178.08 3bsx n ASN 843 N -2.86 4.79 -4.73 1.44 4.13 -1.26 -5.04 115.26 111.72 3bsx n ASN 843 Ca 0.04 -3.07 -0.42 0.00 1.68 0.00 0.00 54.58 52.81 3bsx n ASN 843 Cb 0.51 -0.65 -0.02 0.00 -1.54 0.00 0.00 39.78 38.08 3bsx n ASN 843 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3bsx s LEU 844 N -2.87 4.36 0.25 3.41 2.96 -1.23 -5.02 118.68 120.54 3bsx s LEU 844 Ca 0.50 2.86 0.10 0.00 -0.22 0.00 0.00 54.13 57.38 3bsx s LEU 844 Cb 0.40 -3.61 -0.04 0.00 0.50 0.00 0.00 46.19 43.43 3bsx s LEU 844 CO 0.12 -0.92 -0.08 -1.10 -1.32 0.00 0.00 176.35 173.05 3bsx s GLN 845 N 0.46 2.05 0.42 1.98 -1.52 -1.26 -5.03 119.66 116.77 3bsx s GLN 845 Ca 0.69 -1.50 0.11 0.00 -1.95 0.00 0.00 55.36 52.71 3bsx s GLN 845 Cb -0.48 -2.04 0.97 0.00 -0.22 0.00 0.00 33.01 31.24 3bsx s GLN 845 CO 0.38 0.37 2.01 -0.07 -0.25 0.00 0.00 175.29 177.73 3bsx h LEU 846 N 2.21 0.41 -1.17 2.90 3.38 -1.96 -1.71 115.31 119.37 3bsx h LEU 846 Ca -0.43 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 3bsx h LEU 846 Cb 1.24 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3bsx h LEU 846 CO 0.59 0.27 -0.02 -0.09 0.09 0.00 0.00 178.44 179.28 3bsx h ARG 847 N 0.46 0.56 0.00 1.13 9.65 -1.96 -2.54 114.38 121.68 3bsx h ARG 847 Ca 0.23 -0.13 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 3bsx h ARG 847 Cb 0.31 -0.08 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 3bsx h ARG 847 CO -0.06 0.59 0.00 0.39 2.80 0.00 0.00 179.97 183.69 3bsx n GLU 848 N -4.26 0.23 -0.16 0.20 1.02 -0.64 -3.02 120.64 114.00 3bsx n GLU 848 Ca 0.02 0.35 0.06 0.00 -0.02 0.00 0.00 57.16 57.57 3bsx n GLU 848 Cb 0.26 -1.86 0.15 0.00 -0.02 0.00 0.00 31.44 29.97 3bsx n GLU 848 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3bsx n ILE 849 N -2.27 0.84 -1.56 -3.67 -5.35 -0.96 -4.99 119.36 101.39 3bsx n ILE 849 Ca 0.03 -0.92 -0.56 0.00 -0.27 0.00 0.00 62.75 61.04 3bsx n ILE 849 Cb 0.30 0.62 -0.07 0.00 -1.74 0.00 0.00 39.64 38.75 3bsx n ILE 849 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3bsx n ALA 850 N 0.60 -2.01 -0.26 -1.28 0.00 -1.17 -0.00 120.51 116.39 3bsx n ALA 850 Ca 0.12 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.10 3bsx n ALA 850 Cb 0.42 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.91 3bsx n ALA 850 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bsx n GLY 851 N 2.24 0.83 0.17 0.00 0.00 -1.26 -4.86 105.19 102.31 3bsx n GLY 851 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.24 3bsx n GLY 851 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bsx n HIS 852 N -2.00 0.00 -0.10 1.61 -0.00 1.00 -4.86 115.22 110.86 3bsx n HIS 852 Ca 0.00 -0.33 -0.11 0.00 -0.00 0.00 0.00 57.72 57.28 3bsx n HIS 852 Cb 0.00 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.99 29.90 3bsx n HIS 852 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3bsx h ILE 853 N 2.96 1.25 0.39 1.59 1.08 -1.88 0.21 117.51 123.11 3bsx h ILE 853 Ca 0.00 -0.93 -0.02 0.00 -0.39 0.00 0.00 64.86 63.53 3bsx h ILE 853 Cb 1.03 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 3bsx h ILE 853 CO 0.00 0.30 -0.20 -0.03 -0.69 0.00 0.00 178.15 177.53 3bsx h MET 854 N 0.33 -0.52 -0.51 2.37 4.05 -1.89 0.30 114.93 119.06 3bsx h MET 854 Ca 0.09 0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3bsx h MET 854 Cb 0.42 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 3bsx h MET 854 CO 0.01 -0.35 0.34 1.49 0.23 0.00 0.00 176.91 178.63 3bsx h GLU 855 N -0.54 0.68 -0.72 0.39 4.81 -1.91 -2.31 114.58 114.98 3bsx h GLU 855 Ca -0.05 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.12 3bsx h GLU 855 Cb 0.42 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3bsx h GLU 855 CO 0.08 0.46 0.38 0.74 -0.73 0.00 0.00 179.01 179.94 3bsx h PHE 856 N 0.70 0.99 0.00 0.92 -1.00 -0.43 -2.80 116.94 115.31 3bsx h PHE 856 Ca 0.19 -0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.92 3bsx h PHE 856 Cb -0.07 -0.32 -0.00 0.00 3.61 0.00 0.00 35.95 39.17 3bsx h PHE 856 CO -0.04 0.70 -0.09 0.77 -1.61 0.00 0.00 178.31 178.04 3bsx h SER 857 N 1.01 0.00 -0.10 2.17 0.02 0.14 -1.99 113.55 114.81 3bsx h SER 857 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3bsx h SER 857 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3bsx h SER 857 CO -0.04 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.74 3bsx n GLN 858 N -3.47 2.11 -3.99 3.45 6.02 -1.01 -2.28 117.38 118.21 3bsx n GLN 858 Ca -0.01 -1.62 -0.33 0.00 -0.01 0.00 0.00 57.00 55.02 3bsx n GLN 858 Cb 0.24 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 29.97 3bsx n GLN 858 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3bsx s ASP 859 N -1.88 6.07 0.11 1.08 2.15 -0.97 -4.78 116.67 118.47 3bsx s ASP 859 Ca 0.33 0.26 -0.21 0.00 0.43 0.00 0.00 52.55 53.37 3bsx s ASP 859 Cb 0.20 -1.84 -0.08 0.00 -0.30 0.00 0.00 42.92 40.90 3bsx s ASP 859 CO 0.31 0.27 1.75 -0.61 -0.17 0.00 0.00 175.17 176.72 3bsx h GLN 860 N 3.96 0.12 0.04 4.34 4.15 -1.90 0.13 115.11 125.96 3bsx h GLN 860 Ca -0.49 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 58.86 3bsx h GLN 860 Cb 1.19 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.85 3bsx h GLN 860 CO 0.66 0.08 -0.25 0.45 -1.93 0.00 0.00 178.83 177.84 3bsx h HIS 861 N 0.13 0.17 -1.00 3.99 3.86 -1.95 -3.20 115.15 117.15 3bsx h HIS 861 Ca 0.06 -0.12 0.31 0.00 -1.16 0.00 0.00 60.37 59.46 3bsx h HIS 861 Cb 0.03 -0.01 -0.18 0.00 1.06 0.00 0.00 27.41 28.31 3bsx h HIS 861 CO -0.10 1.09 0.16 0.78 0.86 0.00 0.00 177.93 180.72 3bsx h GLY 862 N -0.80 1.52 0.57 2.45 0.00 -1.72 0.34 103.07 105.44 3bsx h GLY 862 Ca -0.04 0.08 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 3bsx h GLY 862 CO 0.05 -0.60 -0.03 0.23 0.00 0.00 0.00 176.54 176.19 3bsx h SER 863 N 0.00 -0.07 -0.92 0.19 0.87 0.01 -1.52 113.55 112.10 3bsx h SER 863 Ca 0.67 -0.38 0.05 0.00 -1.23 0.00 0.00 61.79 60.89 3bsx h SER 863 Cb 1.51 0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 63.43 3bsx h SER 863 CO -0.89 0.35 0.60 0.03 -0.53 0.00 0.00 176.83 176.40 3bsx h ARG 864 N -0.52 1.09 0.21 2.24 3.08 -1.38 0.20 114.38 119.31 3bsx h ARG 864 Ca -0.01 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 3bsx h ARG 864 Cb 0.45 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3bsx h ARG 864 CO 0.01 0.72 -0.14 0.35 -1.07 0.00 0.00 179.97 179.85 3bsx h PHE 865 N 1.13 -0.35 -0.64 3.04 3.57 -0.16 -1.58 116.94 121.94 3bsx h PHE 865 Ca 0.38 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.92 3bsx h PHE 865 Cb 0.07 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3bsx h PHE 865 CO -0.00 -0.21 0.37 0.82 -2.23 0.00 0.00 178.31 177.06 3bsx h ILE 866 N -0.34 1.02 -0.48 1.41 2.04 -0.86 -0.66 117.51 119.64 3bsx h ILE 866 Ca -0.02 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3bsx h ILE 866 Cb 0.29 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3bsx h ILE 866 CO 0.02 0.13 0.31 1.56 0.00 0.00 0.00 178.15 180.16 3bsx h GLN 867 N 0.71 0.64 -0.10 2.37 4.20 -0.32 -1.04 115.11 121.58 3bsx h GLN 867 Ca 0.27 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 3bsx h GLN 867 Cb 0.10 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3bsx h GLN 867 CO -0.14 0.45 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.32 3bsx h LEU 868 N 0.65 0.23 -1.20 1.46 3.38 -1.13 -2.99 115.31 115.70 3bsx h LEU 868 Ca 0.17 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.71 3bsx h LEU 868 Cb -0.05 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 3bsx h LEU 868 CO -0.04 0.63 0.54 0.11 0.09 0.00 0.00 178.44 179.78 3bsx h LYS 869 N -0.17 1.06 -0.51 1.13 1.79 -1.06 -2.67 116.57 116.14 3bsx h LYS 869 Ca 0.02 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 3bsx h LYS 869 Cb 0.56 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.95 3bsx h LYS 869 CO 0.02 0.70 0.16 -0.07 -1.08 0.00 0.00 179.45 179.18 3bsx h LEU 870 N 1.09 0.69 -1.09 2.94 3.38 -1.22 -1.85 115.31 119.26 3bsx h LEU 870 Ca 0.31 -0.10 0.06 0.00 0.09 0.00 0.00 57.88 58.24 3bsx h LEU 870 Cb -0.09 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.42 3bsx h LEU 870 CO -0.07 0.66 0.62 -0.33 0.09 0.00 0.00 178.44 179.40 3bsx h GLU 871 N 0.74 1.07 -0.53 1.13 5.08 -1.32 -2.52 114.58 118.23 3bsx h GLU 871 Ca 0.17 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.30 3bsx h GLU 871 Cb 0.21 -0.24 -0.10 0.00 0.50 0.00 0.00 28.75 29.12 3bsx h GLU 871 CO -0.01 0.71 0.14 0.54 -1.00 0.00 0.00 179.01 179.39 3bsx n ARG 872 N -4.49 2.98 -3.45 2.33 1.74 -1.05 -4.99 116.66 109.73 3bsx n ARG 872 Ca 0.14 -3.04 -0.34 0.00 -0.77 0.00 0.00 57.85 53.84 3bsx n ARG 872 Cb 0.18 -2.02 -0.06 0.00 -1.02 0.00 0.00 32.46 29.55 3bsx n ARG 872 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bsx s ALA 873 N -3.03 3.63 0.76 7.54 0.00 -0.72 -5.07 121.76 124.87 3bsx s ALA 873 Ca 0.49 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.08 3bsx s ALA 873 Cb 0.41 -2.41 0.05 0.00 0.00 0.00 0.00 23.12 21.17 3bsx s ALA 873 CO 0.09 0.51 1.11 0.95 0.00 0.00 0.00 175.76 178.41 3bsx s THR 874 N -1.51 3.15 0.43 0.00 -4.23 -1.26 -4.81 115.64 107.41 3bsx s THR 874 Ca 0.38 0.42 0.19 0.00 -1.18 0.00 0.00 61.69 61.49 3bsx s THR 874 Cb -0.14 -2.87 0.39 0.00 1.34 0.00 0.00 72.50 71.22 3bsx s THR 874 CO 0.19 -0.45 1.85 -0.65 -0.54 0.00 0.00 174.62 175.03 3bsx h PRO 875 N -0.89 0.37 -0.44 3.99 0.11 -1.98 -1.24 132.00 131.92 3bsx h PRO 875 Ca -0.44 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3bsx h PRO 875 Cb 1.24 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3bsx h PRO 875 CO 0.51 0.24 -0.24 0.00 -0.21 0.00 0.00 178.00 178.31 3bsx h ALA 876 N 1.61 0.62 -0.25 -0.75 0.00 -2.00 -2.60 119.26 115.90 3bsx h ALA 876 Ca 0.47 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3bsx h ALA 876 Cb 1.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3bsx h ALA 876 CO -0.17 0.62 -0.39 0.93 0.00 0.00 0.00 179.25 180.24 3bsx h GLU 877 N 0.77 0.57 -0.01 0.00 5.08 -1.63 -3.04 114.58 116.33 3bsx h GLU 877 Ca 0.09 -0.29 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 3bsx h GLU 877 Cb 0.81 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3bsx h GLU 877 CO 0.07 0.87 -0.28 0.00 -1.00 0.00 0.00 179.01 178.67 3bsx h ARG 878 N 0.47 0.01 -0.10 2.33 3.08 -1.16 -2.77 114.38 116.25 3bsx h ARG 878 Ca 0.04 -0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.94 3bsx h ARG 878 Cb 0.89 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.93 3bsx h ARG 878 CO 0.08 0.29 -0.58 0.37 -1.07 0.00 0.00 179.97 179.06 3bsx h GLN 879 N 0.01 0.32 -0.30 0.04 5.75 -1.36 -1.38 115.11 118.19 3bsx h GLN 879 Ca -0.00 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.26 3bsx h GLN 879 Cb 0.50 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.06 3bsx h GLN 879 CO 0.04 0.81 0.09 1.25 -2.65 0.00 0.00 178.83 178.37 3bsx h LEU 880 N 0.24 0.44 -0.42 -2.39 6.46 -1.39 -1.18 115.31 117.08 3bsx h LEU 880 Ca -0.00 -0.21 -0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3bsx h LEU 880 Cb 1.09 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.88 3bsx h LEU 880 CO 0.09 0.53 0.24 0.58 -0.62 0.00 0.00 178.44 179.27 3bsx h VAL 881 N 0.33 1.14 -0.47 1.05 2.07 -1.41 -3.11 116.25 115.85 3bsx h VAL 881 Ca 0.10 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3bsx h VAL 881 Cb 0.25 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 3bsx h VAL 881 CO -0.00 0.15 0.22 0.15 0.02 0.00 0.00 177.57 178.10 3bsx h PHE 882 N 0.55 0.65 -0.84 1.57 3.04 -0.98 -2.11 116.94 118.82 3bsx h PHE 882 Ca 0.15 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.21 3bsx h PHE 882 Cb 0.02 -0.21 -0.06 0.00 2.56 0.00 0.00 35.95 38.26 3bsx h PHE 882 CO -0.03 0.49 0.55 -0.91 -2.02 0.00 0.00 178.31 176.39 3bsx h ASN 883 N 0.67 0.61 0.81 0.41 -0.26 -1.14 -1.55 115.58 115.12 3bsx h ASN 883 Ca 0.17 0.03 -0.23 0.00 -0.56 0.00 0.00 56.30 55.71 3bsx h ASN 883 Cb 0.08 -0.09 -0.04 0.00 -1.06 0.00 0.00 38.32 37.22 3bsx h ASN 883 CO -0.02 0.32 -1.29 -0.33 -1.06 0.00 0.00 177.43 175.06 3bsx h GLU 884 N 0.65 0.00 0.00 0.81 5.08 -1.51 -3.34 114.58 116.27 3bsx h GLU 884 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3bsx h GLU 884 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 3bsx h GLU 884 CO -0.17 0.66 -0.11 -0.84 -1.00 0.00 0.00 179.01 177.55 3bsx h ILE 885 N 0.00 0.00 0.17 3.13 -0.00 -0.92 -3.37 117.51 116.52 3bsx h ILE 885 Ca -0.14 -0.53 -0.01 0.00 -0.00 0.00 0.00 64.86 64.19 3bsx h ILE 885 Cb 1.81 1.46 0.00 0.00 -0.00 0.00 0.00 36.82 40.09 3bsx h ILE 885 CO 0.09 0.00 -0.08 0.25 -0.00 0.00 0.00 178.15 178.41 3bsx h LEU 886 N 0.00 -0.19 -0.03 0.16 5.85 -1.43 -2.89 115.31 116.77 3bsx h LEU 886 Ca 0.00 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.39 3bsx h LEU 886 Cb 0.76 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3bsx h LEU 886 CO 0.00 0.32 -0.23 1.56 -0.34 0.00 0.00 178.44 179.76 3bsx h GLN 887 N -0.81 -0.25 -2.02 1.25 1.08 -1.76 -2.39 115.11 110.21 3bsx h GLN 887 Ca -0.02 0.02 -0.56 0.00 -1.45 0.00 0.00 58.65 56.63 3bsx h GLN 887 Cb 0.52 0.06 -0.19 0.00 -0.05 0.00 0.00 27.48 27.82 3bsx h GLN 887 CO 0.04 -0.17 0.58 0.00 -0.95 0.00 0.00 178.83 178.33 3bsx n ALA 888 N -2.73 6.48 -0.10 3.87 0.00 -1.26 -4.67 120.51 122.09 3bsx n ALA 888 Ca -0.03 -3.30 -0.08 0.00 0.00 0.00 0.00 53.44 50.03 3bsx n ALA 888 Cb 0.16 -2.14 -0.00 0.00 0.00 0.00 0.00 19.45 17.47 3bsx n ALA 888 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3bsx h ALA 889 N 3.05 0.44 -0.51 0.00 0.00 -1.20 -2.83 119.26 118.21 3bsx h ALA 889 Ca 0.44 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.39 3bsx h ALA 889 Cb 0.57 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3bsx h ALA 889 CO 1.00 -0.11 0.21 -0.92 0.00 0.00 0.00 179.25 179.42 3bsx h TYR 890 N 0.45 0.37 -0.60 0.00 3.20 -1.85 -0.29 116.97 118.24 3bsx h TYR 890 Ca 0.13 0.02 0.07 0.00 3.14 0.00 0.00 58.73 62.10 3bsx h TYR 890 Cb -0.03 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.11 3bsx h TYR 890 CO -0.06 0.13 0.40 0.37 -1.64 0.00 0.00 178.16 177.37 3bsx h GLN 891 N 0.40 0.53 0.00 1.82 4.15 -1.88 -0.48 115.11 119.65 3bsx h GLN 891 Ca 0.24 -0.03 -0.17 0.00 0.77 0.00 0.00 58.65 59.46 3bsx h GLN 891 Cb 0.24 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 3bsx h GLN 891 CO -0.23 0.35 -0.86 -0.07 -1.93 0.00 0.00 178.83 176.09 3bsx h LEU 892 N 0.54 0.00 -1.00 -2.39 3.38 -1.12 -3.28 115.31 111.44 3bsx h LEU 892 Ca 0.27 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.14 3bsx h LEU 892 Cb 0.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3bsx h LEU 892 CO -0.08 0.80 -0.26 0.24 0.09 0.00 0.00 178.44 179.22 3bsx h MET 893 N 0.00 0.40 -0.44 1.13 2.86 0.60 0.57 114.93 120.06 3bsx h MET 893 Ca -0.03 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 3bsx h MET 893 Cb 1.63 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.26 3bsx h MET 893 CO 0.10 0.64 0.00 1.33 1.06 0.00 0.00 176.91 180.04 3bsx n VAL 894 N -4.12 0.57 -3.53 -2.22 0.24 -1.04 -2.67 118.33 105.57 3bsx n VAL 894 Ca -0.01 -0.67 -0.38 0.00 -2.04 0.00 0.00 64.34 61.24 3bsx n VAL 894 Cb 0.40 0.55 -0.06 0.00 -1.47 0.00 0.00 33.84 33.26 3bsx n VAL 894 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3bsx s ASP 895 N -1.25 6.77 0.27 -1.34 -1.08 -1.08 -4.70 116.67 114.26 3bsx s ASP 895 Ca 0.37 0.91 0.00 0.00 -0.52 0.00 0.00 52.55 53.32 3bsx s ASP 895 Cb 0.20 -2.24 0.58 0.00 -1.46 0.00 0.00 42.92 40.01 3bsx s ASP 895 CO 0.28 0.32 1.75 1.62 0.52 0.00 0.00 175.17 179.66 3bsx h VAL 896 N 3.76 0.68 0.00 1.11 3.04 -1.92 -2.57 116.25 120.35 3bsx h VAL 896 Ca -0.51 -0.20 -0.24 0.00 -1.01 0.00 0.00 66.70 64.74 3bsx h VAL 896 Cb 1.22 0.04 -0.04 0.00 -2.01 0.00 0.00 31.29 30.50 3bsx h VAL 896 CO 0.62 0.11 -1.89 0.49 -1.01 0.00 0.00 177.57 175.89 3bsx n PHE 897 N -4.90 0.00 0.19 3.17 0.99 -1.26 -4.64 117.46 111.01 3bsx n PHE 897 Ca 0.18 0.00 0.05 0.00 -0.00 0.00 0.00 57.45 57.68 3bsx n PHE 897 Cb 0.49 -0.63 0.39 0.00 -1.00 0.00 0.00 39.48 38.73 3bsx n PHE 897 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3bsx h GLY 898 N 2.25 0.00 0.59 1.37 0.00 -1.42 -3.21 103.07 102.65 3bsx h GLY 898 Ca -0.35 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.16 3bsx h GLY 898 CO 0.00 0.00 0.51 3.45 0.00 0.00 0.00 176.54 180.51 3bsx h ASN 899 N 0.00 0.19 -0.58 0.19 7.08 -0.46 -2.07 115.58 119.92 3bsx h ASN 899 Ca -0.00 0.01 -0.09 0.00 -3.08 0.00 0.00 56.30 53.14 3bsx h ASN 899 Cb 0.75 -0.02 -0.02 0.00 -2.08 0.00 0.00 38.32 36.95 3bsx h ASN 899 CO 0.05 0.09 0.01 1.88 -2.08 0.00 0.00 177.43 177.38 3bsx h TYR 900 N 0.20 1.12 -0.48 4.14 -1.99 -1.85 -2.18 116.97 115.94 3bsx h TYR 900 Ca 0.37 -0.18 -0.09 0.00 2.00 0.00 0.00 58.73 60.82 3bsx h TYR 900 Cb 1.14 -0.30 -0.02 0.00 2.00 0.00 0.00 36.73 39.56 3bsx h TYR 900 CO -0.00 0.99 -0.07 0.28 -0.00 0.00 0.00 178.16 179.35 3bsx h VAL 901 N 0.95 1.27 -0.34 -2.88 2.07 -1.55 -2.45 116.25 113.31 3bsx h VAL 901 Ca 0.17 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3bsx h VAL 901 Cb 0.53 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3bsx h VAL 901 CO 0.03 0.41 0.21 0.40 0.02 0.00 0.00 177.57 178.64 3bsx h ILE 902 N 0.74 1.11 -0.22 4.57 5.03 -1.44 -3.01 117.51 124.29 3bsx h ILE 902 Ca 0.13 -0.24 -0.07 0.00 -0.12 0.00 0.00 64.86 64.55 3bsx h ILE 902 Cb 0.61 0.65 -0.01 0.00 -3.03 0.00 0.00 36.82 35.04 3bsx h ILE 902 CO 0.04 0.11 -0.18 1.56 -0.68 0.00 0.00 178.15 179.00 3bsx h GLN 903 N 0.45 0.38 -0.90 2.37 4.20 -1.33 -1.93 115.11 118.35 3bsx h GLN 903 Ca 0.12 -0.11 0.13 0.00 0.06 0.00 0.00 58.65 58.85 3bsx h GLN 903 Cb -0.01 -0.04 -0.09 0.00 0.30 0.00 0.00 27.48 27.65 3bsx h GLN 903 CO -0.02 0.55 0.51 0.87 -0.67 0.00 0.00 178.83 180.07 3bsx h LYS 904 N 0.35 0.75 0.00 1.46 6.56 -1.30 0.18 116.57 124.56 3bsx h LYS 904 Ca 0.06 -0.04 -0.10 0.00 -1.06 0.00 0.00 60.65 59.50 3bsx h LYS 904 Cb 0.52 -0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.00 3bsx h LYS 904 CO 0.03 0.49 -0.49 0.74 -2.06 0.00 0.00 179.45 178.17 3bsx h PHE 905 N 0.77 0.00 -0.14 -1.35 0.04 -1.31 -0.36 116.94 114.59 3bsx h PHE 905 Ca 0.47 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 61.08 3bsx h PHE 905 Cb 0.57 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 3bsx h PHE 905 CO -0.05 0.49 -0.58 0.74 -0.60 0.00 0.00 178.31 178.31 3bsx h PHE 906 N 0.00 0.55 -0.19 -0.55 -1.00 -1.04 -1.55 116.94 113.16 3bsx h PHE 906 Ca -0.00 -0.20 -0.14 0.00 2.81 0.00 0.00 57.97 60.44 3bsx h PHE 906 Cb 0.95 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.42 3bsx h PHE 906 CO 0.00 0.91 -0.42 0.93 -1.61 0.00 0.00 178.31 178.12 3bsx h GLU 907 N 0.33 0.62 -0.37 1.51 5.08 -0.71 -3.38 114.58 117.66 3bsx h GLU 907 Ca 0.00 -0.41 -0.28 0.00 -1.00 0.00 0.00 59.36 57.67 3bsx h GLU 907 Cb 1.10 0.06 -0.33 0.00 0.50 0.00 0.00 28.75 30.08 3bsx h GLU 907 CO 0.10 1.03 -0.89 1.19 -1.00 0.00 0.00 179.01 179.44 3bsx n PHE 908 N -4.23 1.25 -3.98 4.33 3.01 -0.17 -5.09 117.46 112.57 3bsx n PHE 908 Ca -0.06 -1.73 -0.22 0.00 1.01 0.00 0.00 57.45 56.45 3bsx n PHE 908 Cb 0.55 -0.25 -0.05 0.00 -0.01 0.00 0.00 39.48 39.72 3bsx n PHE 908 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3bsx s GLY 909 N -3.29 1.74 0.98 1.37 0.00 -0.58 -4.91 107.32 102.62 3bsx s GLY 909 Ca 0.38 -1.65 -0.12 0.00 0.00 0.00 0.00 44.72 43.33 3bsx s GLY 909 CO -0.05 -1.61 1.08 -1.35 0.00 0.00 0.00 173.10 171.18 3bsx s SER 910 N -3.90 2.70 0.16 1.64 1.04 -1.26 -4.85 113.70 109.22 3bsx s SER 910 Ca 0.38 1.45 -0.14 0.00 0.48 0.00 0.00 55.95 58.12 3bsx s SER 910 Cb -0.05 -2.13 0.05 0.00 0.10 0.00 0.00 66.02 63.99 3bsx s SER 910 CO 0.25 -3.12 1.79 0.25 0.98 0.00 0.00 173.24 173.39 3bsx h LEU 911 N -1.88 0.62 -0.59 2.42 5.85 -1.99 -2.35 115.31 117.39 3bsx h LEU 911 Ca -0.53 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 3bsx h LEU 911 Cb 1.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3bsx h LEU 911 CO 0.54 0.51 0.35 -0.08 -0.34 0.00 0.00 178.44 179.41 3bsx h GLU 912 N 0.68 0.81 -0.78 1.25 4.57 -1.99 -1.27 114.58 117.84 3bsx h GLU 912 Ca 0.18 -0.08 0.03 0.00 -1.18 0.00 0.00 59.36 58.31 3bsx h GLU 912 Cb 0.01 -0.17 -0.05 0.00 -0.16 0.00 0.00 28.75 28.39 3bsx h GLU 912 CO -0.03 0.59 0.49 1.96 -1.18 0.00 0.00 179.01 180.84 3bsx h GLN 913 N 0.80 0.93 -0.04 1.92 4.20 -1.91 -0.82 115.11 120.19 3bsx h GLN 913 Ca 0.21 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.75 3bsx h GLN 913 Cb 0.00 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 3bsx h GLN 913 CO -0.04 0.62 -0.52 0.87 -0.67 0.00 0.00 178.83 179.08 3bsx h LYS 914 N 0.96 0.11 -0.21 1.46 1.57 -0.78 -2.18 116.57 117.49 3bsx h LYS 914 Ca 0.31 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.82 3bsx h LYS 914 Cb 0.02 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.34 3bsx h LYS 914 CO -0.11 0.61 -0.65 -0.07 -0.57 0.00 0.00 179.45 178.66 3bsx h LEU 915 N 0.09 0.94 -1.29 2.94 3.38 -0.93 -1.56 115.31 118.88 3bsx h LEU 915 Ca -0.00 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 3bsx h LEU 915 Cb 0.96 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 3bsx h LEU 915 CO 0.07 1.36 0.34 0.00 0.09 0.00 0.00 178.44 180.31 3bsx h ALA 916 N 0.61 1.47 -0.10 1.53 0.00 -1.01 0.19 119.26 121.95 3bsx h ALA 916 Ca -0.02 -0.09 -0.23 0.00 0.00 0.00 0.00 54.91 54.57 3bsx h ALA 916 Cb 1.27 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.83 3bsx h ALA 916 CO 0.14 0.45 -0.86 -0.07 0.00 0.00 0.00 179.25 178.91 3bsx h LEU 917 N 0.83 0.89 -1.01 0.00 3.38 -1.35 -2.53 115.31 115.52 3bsx h LEU 917 Ca 0.22 -0.62 -0.07 0.00 0.09 0.00 0.00 57.88 57.49 3bsx h LEU 917 Cb 0.00 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3bsx h LEU 917 CO -0.04 1.42 -0.06 0.00 0.09 0.00 0.00 178.44 179.86 3bsx h ALA 918 N 0.55 1.18 -0.00 1.53 0.00 -0.86 -1.71 119.26 119.94 3bsx h ALA 918 Ca -0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 3bsx h ALA 918 Cb 1.49 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 3bsx h ALA 918 CO 0.17 0.53 -0.21 1.49 0.00 0.00 0.00 179.25 181.23 3bsx h GLU 919 N 0.60 0.00 0.00 0.00 4.22 -0.60 -1.90 114.58 116.91 3bsx h GLU 919 Ca 0.12 -0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.49 3bsx h GLU 919 Cb 0.47 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 3bsx h GLU 919 CO 0.02 0.21 -0.30 0.00 -2.18 0.00 0.00 179.01 176.77 3bsx h ARG 920 N 0.00 0.00 0.00 1.92 2.47 -0.89 -3.21 114.38 114.68 3bsx h ARG 920 Ca -0.00 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 58.47 3bsx h ARG 920 Cb 0.37 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.66 3bsx h ARG 920 CO 0.03 0.30 -1.31 0.82 0.56 0.00 0.00 179.97 180.36 3bsx h ILE 921 N 0.00 1.34 -1.56 2.04 2.04 -0.96 -3.46 117.51 116.95 3bsx h ILE 921 Ca -0.00 -3.11 -0.72 0.00 1.00 0.00 0.00 64.86 62.03 3bsx h ILE 921 Cb 1.10 2.67 0.04 0.00 -0.74 0.00 0.00 36.82 39.88 3bsx h ILE 921 CO 0.04 0.77 0.62 -1.14 0.00 0.00 0.00 178.15 178.43 3bsx n ARG 922 N -3.23 1.04 -0.47 2.37 0.63 -0.75 -0.28 116.66 115.97 3bsx n ARG 922 Ca -0.08 0.38 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 3bsx n ARG 922 Cb 0.99 -2.02 0.00 0.00 0.45 0.00 0.00 32.46 31.88 3bsx n ARG 922 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3bsx n GLY 923 N 3.18 1.20 0.00 5.14 0.00 -1.26 -4.85 105.19 108.60 3bsx n GLY 923 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3bsx n GLY 923 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bsx n HIS 924 N -2.00 0.00 -0.13 1.61 8.25 0.61 -4.85 115.22 118.72 3bsx n HIS 924 Ca 0.00 -0.14 -0.05 0.00 -0.26 0.00 0.00 57.72 57.27 3bsx n HIS 924 Cb 0.00 -0.01 0.02 0.00 1.12 0.00 0.00 29.99 31.11 3bsx n HIS 924 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3bsx h VAL 925 N 0.33 0.43 -0.09 1.59 2.07 -1.87 -1.15 116.25 117.54 3bsx h VAL 925 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3bsx h VAL 925 Cb 0.27 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3bsx h VAL 925 CO 0.00 0.00 0.00 0.25 0.02 0.00 0.00 177.57 177.84 3bsx h LEU 926 N -0.10 0.15 -1.19 2.57 5.85 -1.88 0.49 115.31 121.20 3bsx h LEU 926 Ca 0.21 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3bsx h LEU 926 Cb 0.42 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3bsx h LEU 926 CO -0.49 0.41 -0.03 0.77 -0.34 0.00 0.00 178.44 178.76 3bsx h SER 927 N -0.11 0.49 -0.47 1.25 4.64 -1.85 -2.47 113.55 115.03 3bsx h SER 927 Ca 0.03 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.11 3bsx h SER 927 Cb 0.33 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 3bsx h SER 927 CO 0.00 0.59 -0.22 -0.07 -0.87 0.00 0.00 176.83 176.25 3bsx h LEU 928 N 0.49 1.01 -2.12 5.97 3.38 -0.97 -3.17 115.31 119.91 3bsx h LEU 928 Ca 0.10 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3bsx h LEU 928 Cb 0.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 3bsx h LEU 928 CO 0.02 1.19 0.00 0.00 0.09 0.00 0.00 178.44 179.74 3bsx h ALA 929 N 0.86 1.88 -0.47 1.53 0.00 -0.47 0.25 119.26 122.85 3bsx h ALA 929 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3bsx h ALA 929 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3bsx h ALA 929 CO 0.07 -0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.60 3bsx n LEU 930 N -4.37 3.32 -4.53 0.00 4.77 -0.98 -1.98 117.00 113.23 3bsx n LEU 930 Ca -0.03 -1.51 -0.30 0.00 -0.03 0.00 0.00 56.01 54.13 3bsx n LEU 930 Cb 0.09 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 40.76 3bsx n LEU 930 CO 0.32 0.76 -0.45 -1.58 -1.33 0.00 0.00 177.39 175.11 3bsx s GLN 931 N -1.39 2.14 0.23 3.23 0.74 -0.78 -4.83 119.66 119.00 3bsx s GLN 931 Ca 0.40 -0.97 -0.07 0.00 0.05 0.00 0.00 55.36 54.77 3bsx s GLN 931 Cb 0.22 -2.27 0.27 0.00 1.10 0.00 0.00 33.01 32.33 3bsx s GLN 931 CO 0.31 0.53 1.86 1.98 -0.55 0.00 0.00 175.29 179.42 3bsx h MET 932 N 4.13 0.93 0.01 1.67 1.85 -1.91 -1.83 114.93 119.79 3bsx h MET 932 Ca -0.48 -0.06 -0.35 0.00 -0.61 0.00 0.00 59.70 58.20 3bsx h MET 932 Cb 1.16 -0.21 -0.05 0.00 0.43 0.00 0.00 31.60 32.93 3bsx h MET 932 CO 0.50 0.62 -1.91 0.66 -0.40 0.00 0.00 176.91 176.38 3bsx n TYR 933 N -4.62 0.59 -0.32 1.39 0.53 -1.26 -4.44 117.16 109.02 3bsx n TYR 933 Ca 0.11 0.23 0.18 0.00 -1.02 0.00 0.00 57.90 57.39 3bsx n TYR 933 Cb 0.13 -1.06 0.38 0.00 -1.03 0.00 0.00 39.34 37.76 3bsx n TYR 933 CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3bsx h GLY 934 N -0.57 1.73 2.00 2.72 0.00 -1.59 0.51 103.07 107.87 3bsx h GLY 934 Ca -0.51 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 46.65 3bsx h GLY 934 CO -0.26 -0.40 -0.02 0.00 0.00 0.00 0.00 176.54 175.87 3bsx h ARG 936 N 0.00 0.57 -0.54 0.00 2.47 -1.12 -2.13 114.38 113.62 3bsx h ARG 936 Ca -0.00 -0.81 0.05 0.00 -1.26 0.00 0.00 59.98 57.96 3bsx h ARG 936 Cb 0.06 0.28 -0.05 0.00 -1.65 0.00 0.00 29.97 28.60 3bsx h ARG 936 CO 0.00 1.37 0.28 0.28 0.56 0.00 0.00 179.97 182.46 3bsx h VAL 937 N 0.23 0.95 -0.00 2.04 2.07 -1.41 -1.40 116.25 118.72 3bsx h VAL 937 Ca -0.20 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 3bsx h VAL 937 Cb 1.97 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 3bsx h VAL 937 CO 0.24 0.10 0.00 0.40 0.02 0.00 0.00 177.57 178.33 3bsx h ILE 938 N 0.53 1.05 -0.38 4.57 1.08 -1.40 0.12 117.51 123.08 3bsx h ILE 938 Ca 0.24 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 64.62 3bsx h ILE 938 Cb 0.15 1.14 -0.04 0.00 -3.07 0.00 0.00 36.82 35.00 3bsx h ILE 938 CO -0.17 0.04 0.13 1.56 -0.69 0.00 0.00 178.15 179.01 3bsx h GLN 939 N -0.05 0.27 -0.70 2.37 4.20 -1.29 -0.94 115.11 118.96 3bsx h GLN 939 Ca 0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 3bsx h GLN 939 Cb 0.06 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 3bsx h GLN 939 CO -0.00 0.18 0.38 -0.22 -0.67 0.00 0.00 178.83 178.50 3bsx h LYS 940 N 0.28 0.98 -0.68 1.46 1.63 -1.10 -2.93 116.57 116.21 3bsx h LYS 940 Ca 0.18 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 3bsx h LYS 940 Cb 0.16 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 3bsx h LYS 940 CO -0.19 0.74 0.44 0.00 -3.45 0.00 0.00 179.45 176.99 3bsx h ALA 941 N 1.19 0.86 -0.36 5.00 0.00 -0.36 -2.99 119.26 122.60 3bsx h ALA 941 Ca 0.25 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3bsx h ALA 941 Cb 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3bsx h ALA 941 CO -0.04 0.30 0.25 -0.07 0.00 0.00 0.00 179.25 179.69 3bsx h LEU 942 N 0.92 0.25 -0.37 0.00 3.38 -0.99 -1.44 115.31 117.07 3bsx h LEU 942 Ca 0.25 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 3bsx h LEU 942 Cb -0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3bsx h LEU 942 CO -0.05 0.17 -0.08 -0.08 0.09 0.00 0.00 178.44 178.49 3bsx h GLU 943 N 0.29 0.00 0.00 1.13 4.81 -1.49 -3.37 114.58 115.95 3bsx h GLU 943 Ca 0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 3bsx h GLU 943 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3bsx h GLU 943 CO -0.03 0.08 0.00 1.19 -0.73 0.00 0.00 179.01 179.52 3bsx n PHE 944 N -3.14 0.00 -3.60 0.92 3.01 -0.85 -5.04 117.46 108.77 3bsx n PHE 944 Ca 0.03 -0.03 -0.25 0.00 1.01 0.00 0.00 57.45 58.21 3bsx n PHE 944 Cb 0.51 -0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.95 3bsx n PHE 944 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 3bsx s ILE 945 N -0.06 5.16 0.68 4.37 -4.36 -0.60 -5.04 121.20 121.34 3bsx s ILE 945 Ca 0.00 -0.49 -0.17 0.00 -0.26 0.00 0.00 60.65 59.73 3bsx s ILE 945 Cb 0.00 -3.81 0.01 0.00 1.25 0.00 0.00 42.46 39.91 3bsx s ILE 945 CO 0.00 -0.37 1.28 -2.65 0.24 0.00 0.00 174.94 173.45 3bsx n PRO 946 N -1.27 0.95 -0.27 0.37 -0.02 -1.26 -4.75 135.00 128.75 3bsx n PRO 946 Ca -0.05 0.39 0.09 0.00 -2.02 0.00 0.00 63.50 61.90 3bsx n PRO 946 Cb 0.55 -2.52 0.22 0.00 -0.02 0.00 0.00 33.50 31.73 3bsx n PRO 946 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3bsx h SER 947 N 0.27 -0.07 -0.18 2.55 0.87 -1.97 0.45 113.55 115.47 3bsx h SER 947 Ca -0.50 0.18 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 3bsx h SER 947 Cb 1.33 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.54 3bsx h SER 947 CO 0.52 -0.12 0.10 0.44 -0.53 0.00 0.00 176.83 177.24 3bsx h ASP 948 N 0.21 0.25 0.55 6.23 3.45 -1.99 -1.11 116.42 124.01 3bsx h ASP 948 Ca 0.47 -0.01 -0.27 0.00 0.43 0.00 0.00 57.03 57.65 3bsx h ASP 948 Cb 0.88 -0.06 0.01 0.00 -0.56 0.00 0.00 39.33 39.59 3bsx h ASP 948 CO -0.61 0.22 -1.19 1.56 -1.57 0.00 0.00 179.24 177.66 3bsx h GLN 949 N 0.29 0.32 0.28 3.56 7.50 -1.32 -2.34 115.11 123.40 3bsx h GLN 949 Ca 0.08 -0.49 -0.00 0.00 0.50 0.00 0.00 58.65 58.74 3bsx h GLN 949 Cb 0.04 0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.73 3bsx h GLN 949 CO -0.01 1.21 -0.23 1.96 -1.50 0.00 0.00 178.83 180.26 3bsx h GLN 950 N 0.11 -0.51 -0.80 1.46 4.20 -0.84 -1.74 115.11 116.99 3bsx h GLN 950 Ca -0.13 0.03 0.12 0.00 0.06 0.00 0.00 58.65 58.74 3bsx h GLN 950 Cb 1.90 0.12 -0.08 0.00 0.30 0.00 0.00 27.48 29.71 3bsx h GLN 950 CO 0.20 -0.34 0.41 -0.91 -0.67 0.00 0.00 178.83 177.52 3bsx h ASN 951 N -0.53 0.52 -0.07 1.46 2.35 -1.23 -0.16 115.58 117.92 3bsx h ASN 951 Ca -0.02 0.08 0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3bsx h ASN 951 Cb 0.47 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 3bsx h ASN 951 CO -0.02 0.26 -0.03 -0.33 -1.65 0.00 0.00 177.43 175.66 3bsx h GLU 952 N 0.64 -0.02 -0.55 0.81 5.08 -1.29 -2.95 114.58 116.30 3bsx h GLU 952 Ca 0.42 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.84 3bsx h GLU 952 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 3bsx h GLU 952 CO -0.32 -0.01 0.25 1.98 -1.00 0.00 0.00 179.01 179.91 3bsx h MET 953 N -0.02 0.46 -0.01 2.33 4.05 -0.33 -3.01 114.93 118.41 3bsx h MET 953 Ca 0.04 -0.03 -0.13 0.00 -0.28 0.00 0.00 59.70 59.29 3bsx h MET 953 Cb 0.07 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.75 3bsx h MET 953 CO -0.08 0.31 -0.62 -0.24 0.23 0.00 0.00 176.91 176.50 3bsx h VAL 954 N 0.48 1.44 -1.05 -5.77 3.04 -1.07 -3.15 116.25 110.17 3bsx h VAL 954 Ca 0.26 -2.12 0.27 0.00 -1.01 0.00 0.00 66.70 64.09 3bsx h VAL 954 Cb 0.22 2.14 -0.09 0.00 -2.01 0.00 0.00 31.29 31.55 3bsx h VAL 954 CO -0.21 0.61 0.68 0.03 -1.01 0.00 0.00 177.57 177.66 3bsx h ARG 955 N 0.02 0.36 0.00 4.17 3.08 -1.37 0.58 114.38 121.22 3bsx h ARG 955 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3bsx h ARG 955 Cb 1.11 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.08 3bsx h ARG 955 CO 0.08 0.24 0.00 0.93 -1.07 0.00 0.00 179.97 180.15 3bsx h GLU 956 N 0.37 0.00 0.00 0.04 5.08 -1.68 -2.22 114.58 116.17 3bsx h GLU 956 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 3bsx h GLU 956 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3bsx h GLU 956 CO -0.28 0.00 -0.66 1.28 -1.00 0.00 0.00 179.01 178.35 3bsx n LEU 957 N -2.43 0.67 -4.67 1.33 4.32 0.19 -4.73 117.00 111.69 3bsx n LEU 957 Ca 0.01 0.19 -0.42 0.00 -0.02 0.00 0.00 56.01 55.77 3bsx n LEU 957 Cb 0.20 -0.18 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 3bsx n LEU 957 CO 0.19 -0.03 1.41 -0.62 -1.22 0.00 0.00 177.39 177.12 3bsx s ASP 958 N -4.11 6.60 0.00 -1.43 3.68 -0.84 -0.41 116.67 120.16 3bsx s ASP 958 Ca 0.06 2.42 0.00 0.00 2.13 0.00 0.00 52.55 57.16 3bsx s ASP 958 Cb 0.14 -2.54 0.00 0.00 -1.45 0.00 0.00 42.92 39.07 3bsx s ASP 958 CO 0.73 -0.94 0.00 0.61 0.13 0.00 0.00 175.17 175.69 3bsx n GLY 959 N 4.18 1.55 0.11 2.66 0.00 -1.26 -4.90 105.19 107.53 3bsx n GLY 959 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.22 3bsx n GLY 959 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bsx n HIS 960 N -1.68 0.00 0.06 1.61 8.25 0.46 -4.86 115.22 119.06 3bsx n HIS 960 Ca 0.00 -0.41 -0.14 0.00 -0.26 0.00 0.00 57.72 56.91 3bsx n HIS 960 Cb 0.00 -0.06 -0.08 0.00 1.12 0.00 0.00 29.99 30.97 3bsx n HIS 960 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3bsx h VAL 961 N 2.01 0.09 -0.51 1.59 2.07 -1.85 -2.28 116.25 117.37 3bsx h VAL 961 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3bsx h VAL 961 Cb 0.91 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 3bsx h VAL 961 CO 0.00 0.00 0.34 -0.07 0.02 0.00 0.00 177.57 177.86 3bsx h LEU 962 N -0.63 0.55 -0.50 2.57 4.07 -1.92 0.60 115.31 120.05 3bsx h LEU 962 Ca 0.03 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 3bsx h LEU 962 Cb 0.69 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 3bsx h LEU 962 CO -0.33 0.39 0.21 0.50 -1.08 0.00 0.00 178.44 178.12 3bsx h LYS 963 N 0.64 0.75 -0.08 1.13 3.64 -1.87 -1.81 116.57 118.97 3bsx h LYS 963 Ca 0.19 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 3bsx h LYS 963 Cb -0.01 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 3bsx h LYS 963 CO -0.05 0.66 -0.34 0.00 -2.27 0.00 0.00 179.45 177.45 3bsx h VAL 965 N -0.10 1.19 0.00 0.00 2.07 -0.92 0.52 116.25 119.02 3bsx h VAL 965 Ca -0.02 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 3bsx h VAL 965 Cb 0.99 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3bsx h VAL 965 CO 0.07 0.21 -0.17 0.11 0.02 0.00 0.00 177.57 177.81 3bsx h LYS 966 N 1.14 0.00 -6.70 1.57 1.57 -1.38 -3.34 116.57 109.44 3bsx h LYS 966 Ca 0.33 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.60 3bsx h LYS 966 Cb -0.06 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.26 3bsx h LYS 966 CO -0.09 0.17 0.49 0.34 -0.57 0.00 0.00 179.45 179.79 3bsx s ASP 967 N -6.18 7.23 0.44 0.86 -1.08 -0.55 -4.89 116.67 112.50 3bsx s ASP 967 Ca 0.04 2.17 0.10 0.00 -0.52 0.00 0.00 52.55 54.34 3bsx s ASP 967 Cb 0.07 -2.61 0.97 0.00 -1.46 0.00 0.00 42.92 39.90 3bsx s ASP 967 CO 0.66 -0.23 2.07 -0.61 0.52 0.00 0.00 175.17 177.57 3bsx h GLN 968 N 4.77 0.33 0.01 4.34 4.15 -1.88 -2.43 115.11 124.39 3bsx h GLN 968 Ca -0.45 -0.03 -0.32 0.00 0.77 0.00 0.00 58.65 58.62 3bsx h GLN 968 Cb 1.21 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.78 3bsx h GLN 968 CO 0.71 0.25 -1.78 0.09 -1.93 0.00 0.00 178.83 176.17 3bsx n ASN 969 N -4.46 1.91 0.03 -0.69 3.02 -1.26 -4.49 115.26 109.32 3bsx n ASN 969 Ca 0.01 0.37 0.19 0.00 -0.03 0.00 0.00 54.58 55.12 3bsx n ASN 969 Cb 0.10 -0.89 0.70 0.00 -0.61 0.00 0.00 39.78 39.07 3bsx n ASN 969 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 3bsx h GLY 970 N -0.79 0.00 1.83 7.41 0.00 -1.44 -2.93 103.07 107.15 3bsx h GLY 970 Ca -0.48 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.75 3bsx h GLY 970 CO -0.27 0.00 -0.39 3.45 0.00 0.00 0.00 176.54 179.34 3bsx h ASN 971 N 0.00 0.20 -0.39 0.19 7.08 -0.42 -2.02 115.58 120.22 3bsx h ASN 971 Ca 0.23 -0.08 -0.12 0.00 -3.08 0.00 0.00 56.30 53.25 3bsx h ASN 971 Cb 0.94 -0.06 -0.02 0.00 -2.08 0.00 0.00 38.32 37.11 3bsx h ASN 971 CO -0.00 0.58 -0.19 0.45 -2.08 0.00 0.00 177.43 176.19 3bsx h HIS 972 N 0.17 1.00 -0.45 4.14 3.86 -1.77 -0.76 115.15 121.33 3bsx h HIS 972 Ca 0.02 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3bsx h HIS 972 Cb 0.76 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 28.97 3bsx h HIS 972 CO 0.01 0.99 0.29 0.28 0.86 0.00 0.00 177.93 180.36 3bsx h VAL 973 N 0.77 1.12 -0.61 2.45 2.07 -1.45 -0.52 116.25 120.08 3bsx h VAL 973 Ca 0.11 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3bsx h VAL 973 Cb 0.72 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3bsx h VAL 973 CO 0.06 0.12 0.36 0.58 0.02 0.00 0.00 177.57 178.71 3bsx h VAL 974 N 0.60 1.19 -0.82 2.57 2.07 -1.16 -1.06 116.25 119.64 3bsx h VAL 974 Ca 0.16 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.25 3bsx h VAL 974 Cb -0.05 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.04 3bsx h VAL 974 CO -0.03 0.19 0.52 1.56 0.02 0.00 0.00 177.57 179.83 3bsx h GLN 975 N 0.83 1.09 -0.39 1.57 4.20 -0.89 -2.13 115.11 119.40 3bsx h GLN 975 Ca 0.22 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3bsx h GLN 975 Cb -0.00 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 3bsx h GLN 975 CO -0.04 0.75 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.64 3bsx h LYS 976 N 1.12 0.62 0.25 1.46 1.63 -0.70 -1.46 116.57 119.49 3bsx h LYS 976 Ca 0.30 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 3bsx h LYS 976 Cb -0.08 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.45 3bsx h LYS 976 CO -0.06 0.65 -0.24 0.00 -3.45 0.00 0.00 179.45 176.35 3bsx h ILE 978 N -0.52 0.91 -0.41 0.00 2.04 -1.13 -1.06 117.51 117.34 3bsx h ILE 978 Ca -0.01 -0.23 -0.08 0.00 1.00 0.00 0.00 64.86 65.54 3bsx h ILE 978 Cb 0.48 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3bsx h ILE 978 CO -0.05 0.12 -0.07 -0.33 0.00 0.00 0.00 178.15 177.82 3bsx h GLU 979 N 0.66 0.77 0.00 2.37 5.08 -1.11 -3.39 114.58 118.96 3bsx h GLU 979 Ca 0.33 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3bsx h GLU 979 Cb 0.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3bsx h GLU 979 CO -0.23 0.89 -1.35 0.00 -1.00 0.00 0.00 179.01 177.32 3bsx s VAL 981 N -2.85 4.58 0.06 0.00 1.01 -0.41 -4.97 120.40 117.81 3bsx s VAL 981 Ca -0.01 -0.53 -0.36 0.00 0.00 0.00 0.00 61.98 61.08 3bsx s VAL 981 Cb 0.11 -3.11 -0.15 0.00 0.00 0.00 0.00 36.38 33.23 3bsx s VAL 981 CO 0.65 0.30 1.55 0.00 0.00 0.00 0.00 175.10 177.60 3bsx n GLN 982 N 1.06 1.70 0.24 2.72 6.02 -1.26 -4.82 117.38 123.03 3bsx n GLN 982 Ca -0.12 0.61 0.14 0.00 -0.01 0.00 0.00 57.00 57.62 3bsx n GLN 982 Cb 0.52 -2.34 0.80 0.00 1.02 0.00 0.00 30.24 30.24 3bsx n GLN 982 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3bsx h PRO 983 N 5.96 0.00 0.00 -1.09 0.13 -1.92 -1.17 132.00 133.91 3bsx h PRO 983 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 3bsx h PRO 983 Cb 1.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 3bsx h PRO 983 CO 0.86 0.00 -0.07 1.96 -0.23 0.00 0.00 178.00 180.52 3bsx h GLN 984 N 0.00 0.00 0.00 0.86 7.50 -2.00 -2.03 115.11 119.44 3bsx h GLN 984 Ca 0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.19 3bsx h GLN 984 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.74 3bsx h GLN 984 CO -0.00 0.07 0.00 0.43 -1.50 0.00 0.00 178.83 177.83 3bsx n SER 985 N -4.44 0.00 -0.75 1.46 7.64 -0.44 -3.84 113.62 113.25 3bsx n SER 985 Ca -0.03 0.35 0.06 0.00 1.01 0.00 0.00 58.87 60.26 3bsx n SER 985 Cb 0.15 -0.45 0.22 0.00 -1.01 0.00 0.00 64.21 63.12 3bsx n SER 985 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3bsx n LEU 986 N -1.45 3.54 -0.28 -3.43 7.99 -0.76 -4.68 117.00 117.93 3bsx n LEU 986 Ca 0.08 -3.24 0.14 0.00 -0.01 0.00 0.00 56.01 52.98 3bsx n LEU 986 Cb 0.30 -0.54 0.39 0.00 -0.11 0.00 0.00 43.42 43.46 3bsx n LEU 986 CO 0.25 0.84 1.22 -0.61 -1.51 0.00 0.00 177.39 177.58 3bsx h GLN 987 N 1.17 0.63 -0.48 3.23 -0.00 -1.69 -0.97 115.11 117.00 3bsx h GLN 987 Ca 0.05 -0.04 0.02 0.00 -0.00 0.00 0.00 58.65 58.68 3bsx h GLN 987 Cb 1.38 -0.14 -0.02 0.00 0.00 0.00 0.00 27.48 28.69 3bsx h GLN 987 CO 0.20 0.42 0.32 0.27 0.00 0.00 0.00 178.83 180.03 3bsx h PHE 988 N 0.65 0.55 0.13 3.99 -5.15 -1.92 0.48 116.94 115.67 3bsx h PHE 988 Ca 0.48 0.01 0.01 0.00 -0.20 0.00 0.00 57.97 58.27 3bsx h PHE 988 Cb 0.85 -0.18 -0.02 0.00 0.22 0.00 0.00 35.95 36.82 3bsx h PHE 988 CO -0.00 0.33 -0.19 0.82 -2.00 0.00 0.00 178.31 177.27 3bsx h ILE 989 N 0.58 0.57 0.35 0.88 2.04 -1.54 0.19 117.51 120.57 3bsx h ILE 989 Ca 0.18 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.04 3bsx h ILE 989 Cb 0.03 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3bsx h ILE 989 CO -0.04 0.00 -0.40 0.40 0.00 0.00 0.00 178.15 178.11 3bsx h ILE 990 N -0.38 0.20 -0.99 -0.67 1.08 -1.38 -1.43 117.51 113.94 3bsx h ILE 990 Ca 0.02 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.68 3bsx h ILE 990 Cb 0.38 0.20 -0.11 0.00 -3.07 0.00 0.00 36.82 34.22 3bsx h ILE 990 CO -0.09 0.00 0.59 0.44 -0.69 0.00 0.00 178.15 178.40 3bsx h ASP 991 N -0.78 0.76 -0.20 1.72 3.45 -0.87 0.75 116.42 121.26 3bsx h ASP 991 Ca -0.02 0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 3bsx h ASP 991 Cb 0.71 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.43 3bsx h ASP 991 CO -0.10 0.27 0.00 0.00 -1.57 0.00 0.00 179.24 177.85 3bsx h ALA 992 N 1.64 1.44 0.00 3.45 0.00 -0.02 -3.12 119.26 122.65 3bsx h ALA 992 Ca 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3bsx h ALA 992 Cb 0.88 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3bsx h ALA 992 CO -0.38 0.40 -0.03 0.74 0.00 0.00 0.00 179.25 179.98 3bsx h PHE 993 N 0.45 0.00 -1.34 0.00 -1.00 0.20 -3.44 116.94 111.82 3bsx h PHE 993 Ca 0.10 0.00 -0.66 0.00 2.81 0.00 0.00 57.97 60.22 3bsx h PHE 993 Cb 0.29 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 3bsx h PHE 993 CO 0.01 0.03 1.38 1.17 -1.61 0.00 0.00 178.31 179.28 3bsx n LYS 994 N -3.11 1.32 -0.48 1.51 3.00 -1.02 0.12 118.16 119.51 3bsx n LYS 994 Ca 0.03 0.38 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 3bsx n LYS 994 Cb 0.46 -2.59 0.00 0.00 0.00 0.00 0.00 35.03 32.90 3bsx n LYS 994 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3bsx n GLY 995 N 6.13 0.75 0.00 3.14 0.00 -1.26 -4.89 105.19 109.05 3bsx n GLY 995 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.39 3bsx n GLY 995 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3bsx n GLN 996 N -2.21 2.10 -0.10 1.61 1.13 0.33 -4.76 117.38 115.48 3bsx n GLN 996 Ca 0.00 -0.23 -0.06 0.00 -1.94 0.00 0.00 57.00 54.78 3bsx n GLN 996 Cb 0.00 -0.69 0.01 0.00 0.11 0.00 0.00 30.24 29.67 3bsx n GLN 996 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3bsx h VAL 997 N 0.10 0.59 -0.30 5.09 2.07 -1.81 0.50 116.25 122.49 3bsx h VAL 997 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 3bsx h VAL 997 Cb 0.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3bsx h VAL 997 CO 0.00 0.00 0.12 0.15 0.02 0.00 0.00 177.57 177.86 3bsx h PHE 998 N -0.03 0.45 -0.84 1.57 3.04 -1.88 0.38 116.94 119.63 3bsx h PHE 998 Ca 0.18 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 62.12 3bsx h PHE 998 Cb 0.30 -0.14 -0.05 0.00 2.56 0.00 0.00 35.95 38.62 3bsx h PHE 998 CO -0.35 0.44 0.54 0.00 -2.02 0.00 0.00 178.31 176.93 3bsx h ALA 999 N 0.96 1.11 0.00 2.41 0.00 -1.49 -2.88 119.26 119.38 3bsx h ALA 999 Ca 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3bsx h ALA 999 Cb 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3bsx h ALA 999 CO -0.01 0.38 -0.88 -0.07 0.00 0.00 0.00 179.25 178.67 3bsx h LEU 1000N 1.06 0.00 -1.10 0.00 3.38 -0.81 -3.17 115.31 114.67 3bsx h LEU 1000Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3bsx h LEU 1000Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3bsx h LEU 1000CO -0.11 0.05 0.00 0.28 0.09 0.00 0.00 178.44 178.75 3bsx h SER 1001N 0.00 0.00 -0.59 -0.43 0.02 -0.74 0.46 113.55 112.27 3bsx h SER 1001Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3bsx h SER 1001Cb 1.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 3bsx h SER 1001CO 0.00 0.00 0.00 0.35 -1.14 0.00 0.00 176.83 176.04 3bsx n THR 1002N -3.05 0.92 -3.97 -2.27 -2.24 -1.10 -1.53 114.28 101.03 3bsx n THR 1002Ca 0.01 -0.96 -0.36 0.00 -2.27 0.00 0.00 64.05 60.48 3bsx n THR 1002Cb 0.35 0.58 -0.07 0.00 -2.10 0.00 0.00 70.33 69.09 3bsx n THR 1002CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3bsx s HIS 1003N -1.06 3.46 0.48 4.78 5.04 -1.04 -4.82 115.29 122.12 3bsx s HIS 1003Ca 0.41 0.39 0.27 0.00 -1.54 0.00 0.00 55.06 54.59 3bsx s HIS 1003Cb 0.22 -1.95 1.33 0.00 0.04 0.00 0.00 32.58 32.21 3bsx s HIS 1003CO 0.29 0.58 1.83 -1.00 -2.34 0.00 0.00 174.74 174.09 3bsx h PRO 1004N 5.39 0.17 0.00 2.88 0.13 -1.92 -0.82 132.00 137.83 3bsx h PRO 1004Ca -0.51 -0.01 -0.29 0.00 -0.87 0.00 0.00 66.00 64.33 3bsx h PRO 1004Cb 1.21 -0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.25 3bsx h PRO 1004CO 0.61 0.11 -2.08 0.66 -0.23 0.00 0.00 178.00 177.07 3bsx n TYR 1005N -4.39 0.00 -0.30 1.56 0.53 -1.26 -4.50 117.16 108.80 3bsx n TYR 1005Ca 0.22 0.00 -0.04 0.00 -1.02 0.00 0.00 57.90 57.06 3bsx n TYR 1005Cb 0.96 -0.74 0.07 0.00 -1.03 0.00 0.00 39.34 38.61 3bsx n TYR 1005CO 0.00 0.00 0.00 0.78 -1.02 0.00 0.00 176.86 176.62 3bsx h GLY 1006N 1.90 1.15 0.89 2.72 0.00 -1.62 -2.16 103.07 105.94 3bsx h GLY 1006Ca -0.42 -0.44 0.10 0.00 0.00 0.00 0.00 47.33 46.56 3bsx h GLY 1006CO -0.04 0.43 0.48 0.00 0.00 0.00 0.00 176.54 177.42 3bsx h ARG 1008N 0.63 0.45 -1.01 0.00 2.47 -1.64 -2.11 114.38 113.18 3bsx h ARG 1008Ca 0.34 -0.45 0.13 0.00 -1.26 0.00 0.00 59.98 58.73 3bsx h ARG 1008Cb 0.49 0.12 -0.09 0.00 -1.65 0.00 0.00 29.97 28.84 3bsx h ARG 1008CO -0.12 1.11 0.63 0.28 0.56 0.00 0.00 179.97 182.43 3bsx h VAL 1009N -0.03 0.89 -0.58 2.04 2.07 -0.82 -1.19 116.25 118.64 3bsx h VAL 1009Ca -0.07 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.05 3bsx h VAL 1009Cb 1.30 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3bsx h VAL 1009CO 0.12 0.18 0.09 0.40 0.02 0.00 0.00 177.57 178.38 3bsx h ILE 1010N 0.97 1.25 -0.29 4.57 1.08 -0.73 -1.78 117.51 122.58 3bsx h ILE 1010Ca 0.51 -0.96 -0.09 0.00 -0.39 0.00 0.00 64.86 63.92 3bsx h ILE 1010Cb 0.54 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 34.98 3bsx h ILE 1010CO -0.28 0.36 -0.21 1.56 -0.69 0.00 0.00 178.15 178.89 3bsx h GLN 1011N 0.89 0.54 -0.42 2.37 4.20 -0.62 -2.03 115.11 120.04 3bsx h GLN 1011Ca 0.18 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 3bsx h GLN 1011Cb 0.40 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3bsx h GLN 1011CO 0.01 0.72 -0.26 0.00 -0.67 0.00 0.00 178.83 178.63 3bsx h ARG 1012N 0.48 0.88 -0.73 1.46 2.47 -0.97 -2.88 114.38 115.09 3bsx h ARG 1012Ca 0.08 -0.39 0.01 0.00 -1.26 0.00 0.00 59.98 58.42 3bsx h ARG 1012Cb 0.63 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.89 3bsx h ARG 1012CO 0.04 1.03 0.48 0.82 0.56 0.00 0.00 179.97 182.91 3bsx h ILE 1013N 0.75 1.17 -0.08 2.04 2.04 -0.95 -1.09 117.51 121.39 3bsx h ILE 1013Ca 0.09 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 3bsx h ILE 1013Cb 0.81 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3bsx h ILE 1013CO 0.07 0.18 -0.13 -0.07 0.00 0.00 0.00 178.15 178.19 3bsx h LEU 1014N 0.97 0.11 0.21 1.44 3.38 -1.37 -1.92 115.31 118.13 3bsx h LEU 1014Ca 0.27 -0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.90 3bsx h LEU 1014Cb -0.09 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 40.67 3bsx h LEU 1014CO -0.07 0.26 -1.41 -0.33 0.09 0.00 0.00 178.44 176.98 3bsx h GLU 1015N 0.11 0.56 0.00 1.13 5.08 -1.25 -3.44 114.58 116.77 3bsx h GLU 1015Ca 0.02 -0.88 -0.10 0.00 -1.00 0.00 0.00 59.36 57.40 3bsx h GLU 1015Cb 0.31 0.32 -0.02 0.00 0.50 0.00 0.00 28.75 29.86 3bsx h GLU 1015CO 0.02 1.42 -1.39 0.72 -1.00 0.00 0.00 179.01 178.78 3bsx n HIS 1016N -3.73 0.00 -2.37 4.33 8.25 -0.44 -5.06 115.22 116.20 3bsx n HIS 1016Ca -0.16 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.95 3bsx n HIS 1016Cb 1.07 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 31.90 3bsx n HIS 1016CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bsx n LEU 1018N -0.73 3.67 -0.32 0.00 4.77 -1.26 -4.53 117.00 118.60 3bsx n LEU 1018Ca 0.08 0.73 0.21 0.00 -0.03 0.00 0.00 56.01 57.00 3bsx n LEU 1018Cb 0.50 -1.40 0.42 0.00 -2.33 0.00 0.00 43.42 40.61 3bsx n LEU 1018CO 0.44 -1.95 1.03 -0.65 -1.33 0.00 0.00 177.39 174.94 3bsx h PRO 1019N 0.10 0.22 0.00 3.23 0.11 -1.98 0.55 132.00 134.24 3bsx h PRO 1019Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3bsx h PRO 1019Cb 1.35 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3bsx h PRO 1019CO 0.49 0.15 0.00 0.38 -0.21 0.00 0.00 178.00 178.81 3bsx h ASP 1020N 0.23 0.00 0.18 -2.05 2.03 -2.00 -0.28 116.42 114.53 3bsx h ASP 1020Ca 0.68 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 56.63 3bsx h ASP 1020Cb 1.53 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 40.01 3bsx h ASP 1020CO -0.66 0.00 -1.95 0.00 -1.03 0.00 0.00 179.24 175.60 3bsx n GLN 1021N -2.56 0.74 0.13 4.15 6.02 0.16 -4.10 117.38 121.94 3bsx n GLN 1021Ca 0.03 0.27 -0.01 0.00 -0.01 0.00 0.00 57.00 57.27 3bsx n GLN 1021Cb 0.32 -1.72 0.16 0.00 1.02 0.00 0.00 30.24 30.01 3bsx n GLN 1021CO 0.00 0.00 0.00 1.79 -1.01 0.00 0.00 177.06 177.84 3bsx h THR 1022N 0.06 1.44 -0.18 5.09 1.35 -0.63 -3.36 112.91 116.68 3bsx h THR 1022Ca -0.40 -2.18 0.03 0.00 -0.55 0.00 0.00 66.41 63.31 3bsx h THR 1022Cb 2.03 2.18 -0.07 0.00 -1.73 0.00 0.00 68.15 70.57 3bsx h THR 1022CO 0.09 0.62 -0.54 0.25 -0.25 0.00 0.00 175.52 175.69 3bsx h LEU 1023N 0.00 -1.73 -1.67 3.87 5.85 -1.19 0.40 115.31 120.84 3bsx h LEU 1023Ca -0.01 0.21 0.12 0.00 0.84 0.00 0.00 57.88 59.04 3bsx h LEU 1023Cb 1.13 0.68 -0.04 0.00 0.37 0.00 0.00 40.66 42.81 3bsx h LEU 1023CO 0.08 -0.47 0.43 1.55 -0.34 0.00 0.00 178.44 179.69 3bsx h PRO 1024N -0.55 0.35 -0.05 5.25 0.13 -1.77 -1.83 132.00 133.53 3bsx h PRO 1024Ca 0.04 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 65.14 3bsx h PRO 1024Cb 0.67 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 31.72 3bsx h PRO 1024CO -0.46 0.23 -0.03 0.82 -0.23 0.00 0.00 178.00 178.32 3bsx h ILE 1025N 0.36 1.35 -0.78 -3.56 1.08 -0.81 -3.00 117.51 112.15 3bsx h ILE 1025Ca 0.30 -1.09 0.02 0.00 -0.39 0.00 0.00 64.86 63.70 3bsx h ILE 1025Cb 0.70 1.98 -0.04 0.00 -3.07 0.00 0.00 36.82 36.38 3bsx h ILE 1025CO -0.08 0.30 0.52 -0.07 -0.69 0.00 0.00 178.15 178.12 3bsx h LEU 1026N -0.31 0.87 -0.57 1.44 3.38 -0.16 -2.28 115.31 117.67 3bsx h LEU 1026Ca 0.01 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3bsx h LEU 1026Cb 0.49 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 3bsx h LEU 1026CO 0.01 0.61 0.31 -0.08 0.09 0.00 0.00 178.44 179.38 3bsx h GLU 1027N 1.02 0.58 0.00 1.13 4.57 -1.25 -0.44 114.58 120.19 3bsx h GLU 1027Ca 0.30 -0.03 -0.19 0.00 -1.18 0.00 0.00 59.36 58.25 3bsx h GLU 1027Cb -0.05 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.39 3bsx h GLU 1027CO -0.07 0.38 -0.86 0.93 -1.18 0.00 0.00 179.01 178.21 3bsx h GLU 1028N 0.60 0.14 -0.12 1.92 5.08 -1.36 -2.39 114.58 118.46 3bsx h GLU 1028Ca 0.25 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3bsx h GLU 1028Cb 0.13 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3bsx h GLU 1028CO -0.15 0.92 0.07 -0.07 -1.00 0.00 0.00 179.01 178.77 3bsx h LEU 1029N 0.08 0.14 -1.87 1.33 3.38 -1.15 -2.69 115.31 114.53 3bsx h LEU 1029Ca -0.04 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3bsx h LEU 1029Cb 1.49 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 3bsx h LEU 1029CO 0.13 0.17 -0.00 0.45 0.09 0.00 0.00 178.44 179.27 3bsx h HIS 1030N 0.10 0.07 0.00 1.13 3.86 -0.98 -1.69 115.15 117.64 3bsx h HIS 1030Ca 0.04 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 3bsx h HIS 1030Cb 0.06 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 3bsx h HIS 1030CO -0.05 0.08 -0.01 1.96 0.86 0.00 0.00 177.93 180.77 3bsx h GLN 1031N 0.07 0.00 0.00 2.45 4.20 -1.11 -3.31 115.11 117.41 3bsx h GLN 1031Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3bsx h GLN 1031Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3bsx h GLN 1031CO 0.00 0.01 -0.12 0.72 -0.67 0.00 0.00 178.83 178.77 3bsx n HIS 1032N -3.11 0.00 -0.10 2.96 8.25 -0.71 -4.87 115.22 117.64 3bsx n HIS 1032Ca 0.01 -0.65 0.06 0.00 -0.26 0.00 0.00 57.72 56.88 3bsx n HIS 1032Cb 0.31 -0.11 0.40 0.00 1.12 0.00 0.00 29.99 31.72 3bsx n HIS 1032CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 3bsx h THR 1033N 1.89 1.04 -0.31 1.59 1.35 -1.47 0.26 112.91 117.26 3bsx h THR 1033Ca 0.00 -0.22 -0.08 0.00 -0.55 0.00 0.00 66.41 65.56 3bsx h THR 1033Cb 1.04 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 67.80 3bsx h THR 1033CO 0.00 0.12 -0.12 -0.33 -0.25 0.00 0.00 175.52 174.94 3bsx h GLU 1034N 0.64 0.62 -0.29 4.72 3.07 -1.89 -0.77 114.58 120.69 3bsx h GLU 1034Ca 0.25 -0.26 -0.09 0.00 -0.50 0.00 0.00 59.36 58.75 3bsx h GLU 1034Cb 0.17 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3bsx h GLU 1034CO -0.07 0.84 -0.18 0.37 -1.40 0.00 0.00 179.01 178.57 3bsx h GLN 1035N 0.39 0.63 -0.42 2.33 4.15 -1.78 -3.24 115.11 117.17 3bsx h GLN 1035Ca 0.07 -0.29 -0.02 0.00 0.77 0.00 0.00 58.65 59.17 3bsx h GLN 1035Cb 0.63 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.29 3bsx h GLN 1035CO 0.04 0.88 0.16 -0.07 -1.93 0.00 0.00 178.83 177.91 3bsx h LEU 1036N 0.38 0.53 -1.50 -2.39 3.38 -0.23 -2.64 115.31 112.85 3bsx h LEU 1036Ca 0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 3bsx h LEU 1036Cb 0.71 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 3bsx h LEU 1036CO 0.05 0.49 -0.17 -0.37 0.09 0.00 0.00 178.44 178.53 3bsx h VAL 1037N 0.59 0.53 -0.01 1.22 -1.51 -1.17 0.13 116.25 116.03 3bsx h VAL 1037Ca 0.14 -0.84 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 3bsx h VAL 1037Cb 0.13 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.86 3bsx h VAL 1037CO -0.01 0.17 -0.18 0.00 -1.23 0.00 0.00 177.57 176.31 3bsx n GLN 1038N -3.47 0.95 -3.35 5.19 6.02 -1.00 -1.85 117.38 119.86 3bsx n GLN 1038Ca -0.01 -0.51 -0.33 0.00 -0.01 0.00 0.00 57.00 56.14 3bsx n GLN 1038Cb 0.34 -1.49 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 3bsx n GLN 1038CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3bsx s ASP 1039N -2.41 6.72 0.51 1.08 2.15 -1.03 -4.80 116.67 118.90 3bsx s ASP 1039Ca 0.28 1.04 0.27 0.00 0.43 0.00 0.00 52.55 54.57 3bsx s ASP 1039Cb 0.20 -2.27 1.38 0.00 -0.30 0.00 0.00 42.92 41.93 3bsx s ASP 1039CO 0.48 -0.04 2.03 0.06 -0.17 0.00 0.00 175.17 177.53 3bsx h GLN 1040N 2.81 0.00 0.00 4.34 3.07 -1.90 -2.49 115.11 120.94 3bsx h GLN 1040Ca -0.48 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.07 3bsx h GLN 1040Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.71 3bsx h GLN 1040CO 0.67 0.13 -1.66 0.66 0.09 0.00 0.00 178.83 178.72 3bsx n TYR 1041N -3.56 0.00 -0.30 0.06 4.02 -1.26 -4.73 117.16 111.39 3bsx n TYR 1041Ca -0.01 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.02 3bsx n TYR 1041Cb 0.27 -0.43 0.31 0.00 -0.02 0.00 0.00 39.34 39.47 3bsx n TYR 1041CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3bsx h GLY 1042N -0.15 1.49 0.26 2.72 0.00 -1.33 -0.79 103.07 105.27 3bsx h GLY 1042Ca -0.29 -0.10 0.21 0.00 0.00 0.00 0.00 47.33 47.15 3bsx h GLY 1042CO -0.15 -0.34 0.61 3.45 0.00 0.00 0.00 176.54 180.10 3bsx h ASN 1043N 0.29 0.41 0.05 0.19 7.08 -0.27 0.61 115.58 123.93 3bsx h ASN 1043Ca 0.57 0.05 -0.10 0.00 -3.08 0.00 0.00 56.30 53.74 3bsx h ASN 1043Cb 1.15 -0.03 -0.01 0.00 -2.08 0.00 0.00 38.32 37.35 3bsx h ASN 1043CO -0.60 0.16 -0.32 1.88 -2.08 0.00 0.00 177.43 176.47 3bsx h TYR 1044N 0.40 0.45 -0.10 4.14 -1.99 -1.41 -0.67 116.97 117.79 3bsx h TYR 1044Ca 0.48 -0.11 -0.01 0.00 2.00 0.00 0.00 58.73 61.10 3bsx h TYR 1044Cb 1.21 -0.11 -0.00 0.00 2.00 0.00 0.00 36.73 39.83 3bsx h TYR 1044CO -0.00 0.67 0.02 0.28 -0.00 0.00 0.00 178.16 179.13 3bsx h VAL 1045N 0.34 1.20 -0.77 -2.88 2.07 -0.92 -0.29 116.25 115.00 3bsx h VAL 1045Ca 0.04 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3bsx h VAL 1045Cb 0.73 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.88 3bsx h VAL 1045CO 0.06 0.18 0.28 0.40 0.02 0.00 0.00 177.57 178.51 3bsx h ILE 1046N -0.04 1.26 -0.08 4.57 1.08 -1.32 -2.32 117.51 120.65 3bsx h ILE 1046Ca 0.03 -0.85 -0.12 0.00 -0.39 0.00 0.00 64.86 63.53 3bsx h ILE 1046Cb 0.26 0.37 -0.01 0.00 -3.07 0.00 0.00 36.82 34.36 3bsx h ILE 1046CO 0.00 0.34 -0.49 1.56 -0.69 0.00 0.00 178.15 178.87 3bsx h GLN 1047N 1.13 0.21 -0.13 2.37 4.20 -0.98 -1.91 115.11 119.99 3bsx h GLN 1047Ca 0.25 -0.12 0.03 0.00 0.06 0.00 0.00 58.65 58.87 3bsx h GLN 1047Cb 0.25 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3bsx h GLN 1047CO -0.02 0.66 -0.06 1.25 -0.67 0.00 0.00 178.83 180.00 3bsx h HIS 1048N 0.17 -0.14 -0.51 2.96 2.76 -0.52 -1.10 115.15 118.77 3bsx h HIS 1048Ca 0.01 0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.22 3bsx h HIS 1048Cb 0.94 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.94 3bsx h HIS 1048CO 0.02 -0.10 0.28 0.28 -1.30 0.00 0.00 177.93 177.11 3bsx h VAL 1049N -0.05 1.01 -0.10 5.26 2.07 -1.34 -0.32 116.25 122.79 3bsx h VAL 1049Ca 0.07 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.42 3bsx h VAL 1049Cb 0.16 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3bsx h VAL 1049CO -0.16 0.10 0.07 -0.07 0.02 0.00 0.00 177.57 177.53 3bsx h LEU 1050N 0.56 0.05 0.00 2.57 3.38 -0.89 0.76 115.31 121.73 3bsx h LEU 1050Ca 0.21 -0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.92 3bsx h LEU 1050Cb 0.07 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 3bsx h LEU 1050CO -0.12 0.03 -1.46 -0.08 0.09 0.00 0.00 178.44 176.91 3bsx h GLU 1051N 0.06 0.00 0.00 1.13 4.81 -0.62 -3.43 114.58 116.52 3bsx h GLU 1051Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3bsx h GLU 1051Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3bsx h GLU 1051CO -0.00 0.66 -0.40 0.72 -0.73 0.00 0.00 179.01 179.26 3bsx n HIS 1052N -3.15 0.00 -1.58 0.92 8.25 -0.18 -5.10 115.22 114.38 3bsx n HIS 1052Ca -0.11 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.11 3bsx n HIS 1052Cb 1.01 0.00 0.17 0.00 1.12 0.00 0.00 29.99 32.29 3bsx n HIS 1052CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3bsx n GLY 1053N 1.23 -1.69 3.79 -1.41 0.00 0.25 -5.01 105.19 102.33 3bsx n GLY 1053Ca 0.00 -1.66 -0.34 0.00 0.00 0.00 0.00 46.02 44.02 3bsx n GLY 1053CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bsx s ARG 1054N -5.27 3.38 0.29 1.61 0.52 -1.26 -4.89 118.95 113.32 3bsx s ARG 1054Ca 0.60 1.43 0.03 0.00 -0.52 0.00 0.00 55.73 57.27 3bsx s ARG 1054Cb -0.02 -2.03 0.66 0.00 0.52 0.00 0.00 34.95 34.08 3bsx s ARG 1054CO 0.43 -0.80 1.77 -1.35 0.02 0.00 0.00 175.30 175.37 3bsx h PRO 1055N 0.95 0.68 -0.87 3.54 0.11 -1.96 -1.59 132.00 132.86 3bsx h PRO 1055Ca -0.49 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.59 3bsx h PRO 1055Cb 1.24 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3bsx h PRO 1055CO 0.57 0.45 0.57 0.93 -0.21 0.00 0.00 178.00 180.31 3bsx h GLU 1056N 0.70 1.14 -0.16 1.05 5.08 -1.99 0.31 114.58 120.70 3bsx h GLU 1056Ca 0.54 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.80 3bsx h GLU 1056Cb 0.81 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3bsx h GLU 1056CO -0.38 0.75 -0.02 -0.44 -1.00 0.00 0.00 179.01 177.91 3bsx h ASP 1057N 1.17 0.30 -0.18 1.42 3.32 -1.72 -2.47 116.42 118.26 3bsx h ASP 1057Ca 0.32 -0.35 0.05 0.00 0.02 0.00 0.00 57.03 57.07 3bsx h ASP 1057Cb -0.13 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 39.29 3bsx h ASP 1057CO -0.07 0.57 -0.16 0.11 -1.72 0.00 0.00 179.24 177.97 3bsx h LYS 1058N 0.02 -0.17 -0.66 3.56 1.57 -1.08 -2.44 116.57 117.36 3bsx h LYS 1058Ca 0.04 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 3bsx h LYS 1058Cb 0.44 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.71 3bsx h LYS 1058CO 0.01 -0.11 0.28 0.77 -0.57 0.00 0.00 179.45 179.84 3bsx h SER 1059N -0.17 0.32 -0.65 0.86 0.02 -0.89 -1.71 113.55 111.33 3bsx h SER 1059Ca 0.11 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3bsx h SER 1059Cb 0.34 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3bsx h SER 1059CO -0.29 0.18 0.40 0.11 -1.14 0.00 0.00 176.83 176.09 3bsx h LYS 1060N 0.49 0.89 -0.23 3.45 1.57 -1.17 -2.44 116.57 119.12 3bsx h LYS 1060Ca 0.34 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3bsx h LYS 1060Cb 0.40 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3bsx h LYS 1060CO -0.30 0.63 0.11 0.82 -0.57 0.00 0.00 179.45 180.14 3bsx h ILE 1061N 0.89 1.14 -0.32 1.86 2.04 -0.96 -2.40 117.51 119.75 3bsx h ILE 1061Ca 0.24 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 3bsx h ILE 1061Cb -0.04 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3bsx h ILE 1061CO -0.05 0.14 -0.08 1.62 0.00 0.00 0.00 178.15 179.78 3bsx h VAL 1062N 0.25 1.22 -0.65 1.67 3.04 -1.22 -1.74 116.25 118.81 3bsx h VAL 1062Ca 0.08 -0.97 -0.07 0.00 -1.01 0.00 0.00 66.70 64.74 3bsx h VAL 1062Cb 0.11 1.07 -0.03 0.00 -2.01 0.00 0.00 31.29 30.44 3bsx h VAL 1062CO -0.01 0.32 0.15 0.00 -1.01 0.00 0.00 177.57 177.02 3bsx h ALA 1063N 1.41 1.03 -0.43 3.17 0.00 -1.32 0.26 119.26 123.38 3bsx h ALA 1063Ca 0.10 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 3bsx h ALA 1063Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3bsx h ALA 1063CO 0.02 0.63 -0.09 0.93 0.00 0.00 0.00 179.25 180.75 3bsx h GLU 1064N 0.98 0.83 -0.27 0.00 4.39 -1.06 -3.25 114.58 116.20 3bsx h GLU 1064Ca 0.21 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.58 3bsx h GLU 1064Cb 0.36 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3bsx h GLU 1064CO 0.00 0.94 0.11 0.82 -1.16 0.00 0.00 179.01 179.72 3bsx h ILE 1065N 0.66 1.17 -2.70 3.13 5.03 -0.93 -3.40 117.51 120.46 3bsx h ILE 1065Ca 0.11 -0.51 -0.52 0.00 -0.12 0.00 0.00 64.86 63.82 3bsx h ILE 1065Cb 0.62 1.00 0.06 0.00 -3.03 0.00 0.00 36.82 35.47 3bsx h ILE 1065CO 0.04 0.18 1.00 -0.60 -0.68 0.00 0.00 178.15 178.09 3bsx s ARG 1066N -5.58 4.13 0.00 2.37 3.00 0.89 -0.45 118.95 123.31 3bsx s ARG 1066Ca -0.13 2.59 0.00 0.00 -1.00 0.00 0.00 55.73 57.19 3bsx s ARG 1066Cb 0.08 -3.08 0.00 0.00 0.00 0.00 0.00 34.95 31.96 3bsx s ARG 1066CO 0.72 -0.74 0.00 0.41 0.00 0.00 0.00 175.30 175.69 3bsx n GLY 1067N 3.90 1.02 0.00 8.12 0.00 -1.26 -4.80 105.19 112.17 3bsx n GLY 1067Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3bsx n GLY 1067CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3bsx n ASN 1068N 0.00 0.91 -0.27 1.61 3.02 0.40 -4.90 115.26 116.04 3bsx n ASN 1068Ca 0.00 -1.45 0.02 0.00 -0.03 0.00 0.00 54.58 53.12 3bsx n ASN 1068Cb 0.00 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.32 3bsx n ASN 1068CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3bsx h VAL 1069N 1.57 0.92 0.20 2.41 2.07 -1.73 -1.53 116.25 120.16 3bsx h VAL 1069Ca 0.00 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3bsx h VAL 1069Cb 0.75 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3bsx h VAL 1069CO 0.00 0.14 -0.10 0.25 0.02 0.00 0.00 177.57 177.88 3bsx h LEU 1070N 0.76 -0.23 -0.26 2.57 5.85 -1.90 0.17 115.31 122.26 3bsx h LEU 1070Ca 0.37 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 3bsx h LEU 1070Cb 0.31 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 3bsx h LEU 1070CO -0.23 0.06 -0.08 -0.37 -0.34 0.00 0.00 178.44 177.49 3bsx h VAL 1071N -0.53 1.29 -0.25 1.05 -1.51 -1.94 -3.11 116.25 111.23 3bsx h VAL 1071Ca -0.03 -1.11 -0.08 0.00 -1.23 0.00 0.00 66.70 64.26 3bsx h VAL 1071Cb 0.40 1.47 -0.01 0.00 -2.13 0.00 0.00 31.29 31.02 3bsx h VAL 1071CO 0.05 0.35 -0.17 -0.07 -1.23 0.00 0.00 177.57 176.49 3bsx h LEU 1072N 0.25 0.43 -2.22 4.19 3.38 -1.24 -1.30 115.31 118.81 3bsx h LEU 1072Ca 0.06 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3bsx h LEU 1072Cb 0.55 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 3bsx h LEU 1072CO 0.03 0.62 0.04 0.28 0.09 0.00 0.00 178.44 179.50 3bsx h SER 1073N 0.41 0.00 -0.13 -0.43 0.02 -0.62 -2.66 113.55 110.13 3bsx h SER 1073Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 3bsx h SER 1073Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3bsx h SER 1073CO 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.72 3bsx n GLN 1074N -4.18 1.78 -3.78 3.45 6.02 -0.50 -2.01 117.38 118.16 3bsx n GLN 1074Ca -0.02 -1.16 -0.35 0.00 -0.01 0.00 0.00 57.00 55.46 3bsx n GLN 1074Cb 0.13 -1.43 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 3bsx n GLN 1074CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3bsx s HIS 1075N -1.85 3.34 0.29 1.08 2.46 -1.03 -4.80 115.29 114.79 3bsx s HIS 1075Ca 0.34 0.22 0.03 0.00 0.47 0.00 0.00 55.06 56.12 3bsx s HIS 1075Cb 0.19 -2.17 0.74 0.00 -0.13 0.00 0.00 32.58 31.22 3bsx s HIS 1075CO 0.29 0.19 1.63 -0.22 -2.47 0.00 0.00 174.74 174.16 3bsx h LYS 1076N 6.92 0.16 0.00 2.88 3.64 -1.90 -0.30 116.57 127.96 3bsx h LYS 1076Ca -0.39 -0.01 -0.25 0.00 -1.27 0.00 0.00 60.65 58.73 3bsx h LYS 1076Cb 1.16 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.91 3bsx h LYS 1076CO 0.72 0.11 -1.40 1.19 -2.27 0.00 0.00 179.45 177.80 3bsx n PHE 1077N -5.27 0.88 0.36 1.91 0.99 -1.26 -4.39 117.46 110.68 3bsx n PHE 1077Ca 0.22 0.38 0.14 0.00 -0.00 0.00 0.00 57.45 58.20 3bsx n PHE 1077Cb 0.72 -1.07 0.52 0.00 -1.00 0.00 0.00 39.48 38.65 3bsx n PHE 1077CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3bsx h ALA 1078N -0.58 1.00 -0.19 4.37 0.00 -1.25 -2.61 119.26 120.00 3bsx h ALA 1078Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 3bsx h ALA 1078Cb 1.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3bsx h ALA 1078CO -0.23 0.00 0.06 0.66 0.00 0.00 0.00 179.25 179.74 3bsx h SER 1079N 0.00 0.23 0.30 0.00 4.64 -0.77 0.25 113.55 118.20 3bsx h SER 1079Ca 0.00 -0.02 -0.14 0.00 -0.47 0.00 0.00 61.79 61.16 3bsx h SER 1079Cb 0.55 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3bsx h SER 1079CO 0.00 0.23 -0.58 0.78 -0.87 0.00 0.00 176.83 176.39 3bsx h ASN 1080N 0.26 0.33 0.03 4.97 4.21 -1.70 -2.78 115.58 120.91 3bsx h ASN 1080Ca 0.07 -0.18 -0.13 0.00 1.21 0.00 0.00 56.30 57.27 3bsx h ASN 1080Cb 0.09 -0.09 -0.01 0.00 -1.12 0.00 0.00 38.32 37.18 3bsx h ASN 1080CO -0.01 0.83 -0.41 0.58 -1.29 0.00 0.00 177.43 177.14 3bsx h VAL 1081N 0.22 1.30 -0.25 2.81 2.07 -1.09 -2.07 116.25 119.24 3bsx h VAL 1081Ca -0.00 -1.57 -0.10 0.00 0.82 0.00 0.00 66.70 65.85 3bsx h VAL 1081Cb 1.08 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3bsx h VAL 1081CO 0.09 0.49 -0.27 -0.37 0.02 0.00 0.00 177.57 177.53 3bsx h VAL 1082N 0.39 1.27 -0.04 2.57 -1.51 -1.11 -1.24 116.25 116.58 3bsx h VAL 1082Ca 0.03 -1.30 -0.00 0.00 -1.23 0.00 0.00 66.70 64.20 3bsx h VAL 1082Cb 0.88 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 31.42 3bsx h VAL 1082CO 0.07 0.41 0.02 -0.33 -1.23 0.00 0.00 177.57 176.52 3bsx h GLU 1083N 0.42 0.05 -0.76 5.19 5.08 -1.40 -0.88 114.58 122.28 3bsx h GLU 1083Ca 0.06 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3bsx h GLU 1083Cb 0.69 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.89 3bsx h GLU 1083CO 0.05 0.12 0.50 -0.22 -1.00 0.00 0.00 179.01 178.46 3bsx h LYS 1084N -0.02 0.94 -0.37 2.33 1.63 -1.04 0.16 116.57 120.20 3bsx h LYS 1084Ca 0.01 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.69 3bsx h LYS 1084Cb 0.08 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.49 3bsx h LYS 1084CO -0.00 0.62 -0.04 0.00 -3.45 0.00 0.00 179.45 176.58 3bsx h VAL 1086N 0.49 0.91 0.02 0.00 2.07 -0.34 0.15 116.25 119.54 3bsx h VAL 1086Ca 0.10 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 3bsx h VAL 1086Cb 0.52 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 3bsx h VAL 1086CO 0.03 0.07 -0.32 0.74 0.02 0.00 0.00 177.57 178.10 3bsx h THR 1087N 0.37 1.61 -0.27 2.57 2.02 -0.55 -3.39 112.91 115.25 3bsx h THR 1087Ca 0.24 -2.34 0.00 0.00 0.77 0.00 0.00 66.41 65.08 3bsx h THR 1087Cb 0.48 3.17 0.00 0.00 -1.74 0.00 0.00 68.15 70.06 3bsx h THR 1087CO -0.06 0.57 0.00 1.41 0.37 0.00 0.00 175.52 177.81 3bsx n HIS 1088N -4.52 0.34 -2.26 3.16 8.25 -0.25 -4.95 115.22 114.99 3bsx n HIS 1088Ca -0.14 -0.17 -0.33 0.00 -0.26 0.00 0.00 57.72 56.81 3bsx n HIS 1088Cb 0.56 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.66 3bsx n HIS 1088CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3bsx s ALA 1089N -1.66 2.82 0.73 -1.41 0.00 0.50 -4.99 121.76 117.75 3bsx s ALA 1089Ca 0.36 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.61 3bsx s ALA 1089Cb 0.22 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3bsx s ALA 1089CO 0.31 -0.58 0.88 -1.13 0.00 0.00 0.00 175.76 175.24 3bsx n SER 1090N -1.60 0.11 -0.34 0.00 3.41 -1.26 -4.40 113.62 109.54 3bsx n SER 1090Ca 0.09 0.64 0.22 0.00 -0.26 0.00 0.00 58.87 59.56 3bsx n SER 1090Cb 0.53 -1.37 0.46 0.00 -0.26 0.00 0.00 64.21 63.57 3bsx n SER 1090CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3bsx h ARG 1091N -0.34 0.39 -0.27 4.33 0.11 -1.97 0.31 114.38 116.95 3bsx h ARG 1091Ca -0.47 -0.02 -0.16 0.00 0.10 0.00 0.00 59.98 59.42 3bsx h ARG 1091Cb 1.33 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.33 3bsx h ARG 1091CO 0.46 0.26 -0.48 1.15 0.10 0.00 0.00 179.97 181.46 3bsx h THR 1092N 0.40 1.29 -0.18 0.08 2.02 -2.00 -2.45 112.91 112.08 3bsx h THR 1092Ca 0.69 -1.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.18 3bsx h THR 1092Cb 1.56 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 3bsx h THR 1092CO -0.51 0.54 0.03 -0.33 0.37 0.00 0.00 175.52 175.62 3bsx h GLU 1093N 0.55 0.29 -0.55 6.66 5.08 -0.97 -2.12 114.58 123.52 3bsx h GLU 1093Ca 0.02 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.40 3bsx h GLU 1093Cb 1.08 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.22 3bsx h GLU 1093CO 0.11 0.45 0.10 -0.09 -1.00 0.00 0.00 179.01 178.57 3bsx h ARG 1094N 0.08 0.22 -0.73 2.33 2.43 -0.62 -1.05 114.38 117.05 3bsx h ARG 1094Ca 0.05 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 3bsx h ARG 1094Cb 0.30 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3bsx h ARG 1094CO 0.00 0.15 0.30 0.00 -1.51 0.00 0.00 179.97 178.91 3bsx h ALA 1095N 1.44 1.15 -0.52 2.80 0.00 -1.36 -1.83 119.26 120.94 3bsx h ALA 1095Ca 0.28 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 3bsx h ALA 1095Cb 0.40 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3bsx h ALA 1095CO -0.38 0.62 -0.14 0.28 0.00 0.00 0.00 179.25 179.63 3bsx h VAL 1096N 1.06 1.27 -0.53 0.00 2.07 -0.90 -0.67 116.25 118.53 3bsx h VAL 1096Ca 0.25 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.41 3bsx h VAL 1096Cb 0.19 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3bsx h VAL 1096CO -0.02 0.45 0.06 -0.07 0.02 0.00 0.00 177.57 178.01 3bsx h LEU 1097N 0.88 0.87 -0.49 2.57 3.38 -0.94 -1.63 115.31 119.94 3bsx h LEU 1097Ca 0.13 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3bsx h LEU 1097Cb 0.70 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3bsx h LEU 1097CO 0.05 0.93 0.03 0.40 0.09 0.00 0.00 178.44 179.94 3bsx h ILE 1098N 0.78 1.26 -0.79 1.22 2.04 -1.30 -2.74 117.51 117.99 3bsx h ILE 1098Ca 0.16 -1.02 0.07 0.00 1.00 0.00 0.00 64.86 65.07 3bsx h ILE 1098Cb 0.45 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.43 3bsx h ILE 1098CO 0.02 0.36 0.52 -0.78 0.00 0.00 0.00 178.15 178.26 3bsx h ASP 1099N 0.71 0.73 -0.06 1.72 3.58 -1.08 -2.45 116.42 119.57 3bsx h ASP 1099Ca 0.14 0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 3bsx h ASP 1099Cb 0.47 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.37 3bsx h ASP 1099CO 0.02 0.46 0.04 -0.08 -2.88 0.00 0.00 179.24 176.80 3bsx h GLU 1100N 0.82 0.08 -0.02 0.28 4.81 -0.98 -1.62 114.58 117.95 3bsx h GLU 1100Ca 0.34 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 3bsx h GLU 1100Cb 0.28 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 3bsx h GLU 1100CO -0.12 0.08 -0.55 -0.39 -0.73 0.00 0.00 179.01 177.30 3bsx h VAL 1101N 0.05 1.39 -0.19 0.32 -1.51 -1.46 -0.94 116.25 113.91 3bsx h VAL 1101Ca 0.02 -1.88 -0.07 0.00 -1.23 0.00 0.00 66.70 63.54 3bsx h VAL 1101Cb 0.02 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.16 3bsx h VAL 1101CO -0.00 0.54 -0.19 0.00 -1.23 0.00 0.00 177.57 176.68 3bsx n THR 1103N -4.19 0.00 -2.53 0.00 -1.04 -0.62 -4.96 114.28 100.94 3bsx n THR 1103Ca -0.00 -0.18 -0.40 0.00 -2.04 0.00 0.00 64.05 61.42 3bsx n THR 1103Cb 0.34 0.88 -0.05 0.00 -1.82 0.00 0.00 70.33 69.68 3bsx n THR 1103CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3bsx s MET 1104N -2.47 4.68 -0.45 -2.82 1.00 -0.38 -5.02 119.30 113.85 3bsx s MET 1104Ca 0.04 1.74 0.03 0.00 0.00 0.00 0.00 55.69 57.50 3bsx s MET 1104Cb 0.11 -3.20 0.12 0.00 0.00 0.00 0.00 34.83 31.86 3bsx s MET 1104CO 0.60 0.27 0.21 -0.80 0.00 0.00 0.00 175.02 175.30 3bsx s ASN 1105N -0.94 4.13 -0.99 3.03 -0.87 -1.26 -1.62 114.94 116.41 3bsx s ASN 1105Ca 0.44 -2.63 -0.15 0.00 -1.57 0.00 0.00 52.86 48.94 3bsx s ASN 1105Cb -0.31 -1.36 -0.09 0.00 -0.02 0.00 0.00 41.25 39.47 3bsx s ASN 1105CO 0.39 -0.28 2.11 -0.67 -2.57 0.00 0.00 177.10 176.08 3bsx n ASP 1106N 3.58 3.88 0.00 -1.22 4.64 -1.03 -4.83 116.55 121.57 3bsx n ASP 1106Ca 0.05 -2.60 0.00 0.00 -1.38 0.00 0.00 54.79 50.87 3bsx n ASP 1106Cb 0.35 -1.23 0.00 0.00 -1.04 0.00 0.00 41.12 39.20 3bsx n ASP 1106CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3bsx n GLY 1107N 4.17 1.25 0.17 0.27 0.00 -1.26 -4.34 105.19 105.45 3bsx n GLY 1107Ca 0.51 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3bsx n GLY 1107CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bsx h PRO 1108N 0.00 -0.16 -5.44 1.61 0.11 -2.04 -3.45 132.00 122.63 3bsx h PRO 1108Ca 0.00 0.01 -0.58 0.00 0.11 0.00 0.00 66.00 65.54 3bsx h PRO 1108Cb 0.00 0.04 -0.13 0.00 0.11 0.00 0.00 31.00 31.01 3bsx h PRO 1108CO 0.00 -0.10 -0.59 -1.01 -0.21 0.00 0.00 178.00 176.09 3bsx s HIS 1109N -6.16 2.24 0.71 0.65 3.76 -1.26 -5.13 115.29 110.10 3bsx s HIS 1109Ca -0.14 -0.82 -0.16 0.00 -0.15 0.00 0.00 55.06 53.79 3bsx s HIS 1109Cb 0.10 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 32.18 3bsx s HIS 1109CO 0.67 0.25 0.73 0.45 -0.85 0.00 0.00 174.74 176.00 3bsx n SER 1110N -0.93 -0.41 0.07 1.40 2.88 -1.26 -2.45 113.62 112.92 3bsx n SER 1110Ca -0.06 0.64 0.04 0.00 -1.33 0.00 0.00 58.87 58.16 3bsx n SER 1110Cb 0.67 -1.30 0.44 0.00 -0.75 0.00 0.00 64.21 63.27 3bsx n SER 1110CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3bsx h ALA 1111N -0.25 1.68 -0.49 -1.46 0.00 -1.50 -2.65 119.26 114.59 3bsx h ALA 1111Ca -0.46 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.42 3bsx h ALA 1111Cb 1.35 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3bsx h ALA 1111CO 0.45 0.26 0.21 1.25 0.00 0.00 0.00 179.25 181.42 3bsx h LEU 1112N 0.38 0.26 -0.04 0.00 5.85 -1.80 -1.90 115.31 118.07 3bsx h LEU 1112Ca 0.10 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3bsx h LEU 1112Cb 0.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3bsx h LEU 1112CO -0.01 0.18 -0.00 0.22 -0.34 0.00 0.00 178.44 178.49 3bsx h TYR 1113N 0.41 -0.01 -0.79 1.25 3.20 -1.82 0.65 116.97 119.87 3bsx h TYR 1113Ca 0.23 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.25 3bsx h TYR 1113Cb 0.19 0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.37 3bsx h TYR 1113CO -0.13 -0.01 0.32 1.15 -1.64 0.00 0.00 178.16 177.85 3bsx h THR 1114N 0.01 0.63 -0.05 1.81 2.02 -1.41 -2.28 112.91 113.62 3bsx h THR 1114Ca 0.02 -0.15 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 3bsx h THR 1114Cb 0.02 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3bsx h THR 1114CO -0.03 0.08 -0.73 0.24 0.37 0.00 0.00 175.52 175.45 3bsx h MET 1115N 0.44 0.29 0.00 6.66 2.86 -0.78 -2.85 114.93 121.56 3bsx h MET 1115Ca 0.44 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3bsx h MET 1115Cb 0.70 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 3bsx h MET 1115CO -0.43 0.90 -0.19 0.52 1.06 0.00 0.00 176.91 178.77 3bsx h MET 1116N 0.19 0.00 -0.15 1.72 2.07 -0.30 -1.44 114.93 117.02 3bsx h MET 1116Ca -0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 3bsx h MET 1116Cb 1.29 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.02 3bsx h MET 1116CO 0.12 0.19 0.00 0.36 1.07 0.00 0.00 176.91 178.65 3bsx n LYS 1117N -3.42 1.86 -3.04 1.72 2.85 -1.13 -3.98 118.16 113.03 3bsx n LYS 1117Ca -0.00 -1.79 -0.30 0.00 -1.05 0.00 0.00 58.31 55.16 3bsx n LYS 1117Cb 0.38 -1.38 -0.04 0.00 -0.65 0.00 0.00 35.03 33.35 3bsx n LYS 1117CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3bsx s ASP 1118N -1.42 6.56 0.37 -5.58 2.15 -0.96 -4.52 116.67 113.27 3bsx s ASP 1118Ca 0.26 1.06 0.18 0.00 0.43 0.00 0.00 52.55 54.48 3bsx s ASP 1118Cb 0.17 -2.29 0.68 0.00 -0.30 0.00 0.00 42.92 41.17 3bsx s ASP 1118CO 0.24 -0.30 1.74 0.06 -0.17 0.00 0.00 175.17 176.73 3bsx h GLN 1119N 1.60 0.00 0.00 4.34 3.07 -1.92 -2.62 115.11 119.58 3bsx h GLN 1119Ca -0.47 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.05 3bsx h GLN 1119Cb 1.18 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.71 3bsx h GLN 1119CO 0.65 0.39 -1.78 0.66 0.09 0.00 0.00 178.83 178.84 3bsx n TYR 1120N -3.58 0.00 0.20 0.06 0.53 -1.26 -4.72 117.16 108.39 3bsx n TYR 1120Ca -0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.90 56.92 3bsx n TYR 1120Cb 0.51 -0.52 0.41 0.00 -1.03 0.00 0.00 39.34 38.71 3bsx n TYR 1120CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3bsx h ALA 1121N -0.17 1.35 -0.94 -0.72 0.00 -1.49 -2.17 119.26 115.13 3bsx h ALA 1121Ca -0.32 -0.30 0.18 0.00 0.00 0.00 0.00 54.91 54.47 3bsx h ALA 1121Cb 1.42 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 3bsx h ALA 1121CO -0.10 0.41 0.53 -2.95 0.00 0.00 0.00 179.25 177.14 3bsx h ASN 1122N 0.00 0.66 -0.23 0.00 7.08 -0.87 0.61 115.58 122.82 3bsx h ASN 1122Ca -0.00 0.10 0.03 0.00 -3.08 0.00 0.00 56.30 53.35 3bsx h ASN 1122Cb 0.62 -0.01 -0.03 0.00 -2.08 0.00 0.00 38.32 36.82 3bsx h ASN 1122CO 0.04 0.23 0.04 1.88 -2.08 0.00 0.00 177.43 177.53 3bsx h TYR 1123N 0.68 0.06 -0.16 4.14 -1.99 -1.67 -0.81 116.97 117.21 3bsx h TYR 1123Ca 0.54 0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.33 3bsx h TYR 1123Cb 0.85 0.01 -0.05 0.00 2.00 0.00 0.00 36.73 39.54 3bsx h TYR 1123CO -0.05 0.01 -0.14 0.28 -0.00 0.00 0.00 178.16 178.27 3bsx h VAL 1124N 0.12 0.61 -0.81 -2.88 2.07 -1.00 0.13 116.25 114.50 3bsx h VAL 1124Ca 0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.69 3bsx h VAL 1124Cb 0.11 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 3bsx h VAL 1124CO -0.15 0.00 0.49 0.58 0.02 0.00 0.00 177.57 178.51 3bsx h VAL 1125N -0.15 1.01 -0.43 2.57 2.07 -0.99 0.38 116.25 120.72 3bsx h VAL 1125Ca 0.10 -0.30 -0.04 0.00 0.82 0.00 0.00 66.70 67.28 3bsx h VAL 1125Cb 0.30 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 3bsx h VAL 1125CO -0.25 0.16 0.13 1.56 0.02 0.00 0.00 177.57 179.18 3bsx h GLN 1126N 0.89 0.68 -0.71 1.57 4.20 -0.60 -2.27 115.11 118.87 3bsx h GLN 1126Ca 0.36 -0.15 0.10 0.00 0.06 0.00 0.00 58.65 59.02 3bsx h GLN 1126Cb 0.19 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.80 3bsx h GLN 1126CO -0.18 0.67 0.33 -0.22 -0.67 0.00 0.00 178.83 178.76 3bsx h LYS 1127N 0.56 0.54 0.00 1.46 1.63 -0.03 -1.90 116.57 118.83 3bsx h LYS 1127Ca 0.14 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3bsx h LYS 1127Cb 0.28 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.78 3bsx h LYS 1127CO -0.00 0.36 -0.16 0.52 -3.45 0.00 0.00 179.45 176.71 3bsx h MET 1128N 0.56 0.00 -0.26 1.90 2.86 -0.61 -2.41 114.93 116.97 3bsx h MET 1128Ca 0.36 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.86 3bsx h MET 1128Cb 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.06 3bsx h MET 1128CO -0.29 0.16 -0.40 0.82 1.06 0.00 0.00 176.91 178.26 3bsx h ILE 1129N 0.00 1.30 0.00 -1.22 2.04 -0.79 -2.15 117.51 116.69 3bsx h ILE 1129Ca -0.00 -1.57 -0.08 0.00 1.00 0.00 0.00 64.86 64.21 3bsx h ILE 1129Cb 0.29 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 3bsx h ILE 1129CO 0.02 0.50 -0.38 0.44 0.00 0.00 0.00 178.15 178.73 3bsx h ASP 1130N 0.50 0.00 0.00 1.72 3.32 -0.93 -3.35 116.42 117.68 3bsx h ASP 1130Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3bsx h ASP 1130Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 3bsx h ASP 1130CO 0.08 0.38 -1.22 1.33 -1.72 0.00 0.00 179.24 178.10 3bsx n VAL 1131N -3.20 0.00 -1.73 -1.35 0.24 -1.03 -5.00 118.33 106.26 3bsx n VAL 1131Ca 0.02 -0.23 -0.40 0.00 -2.04 0.00 0.00 64.34 61.69 3bsx n VAL 1131Cb 0.69 0.44 0.03 0.00 -1.47 0.00 0.00 33.84 33.53 3bsx n VAL 1131CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3bsx n ALA 1132N -1.70 1.54 -1.64 2.33 0.00 -0.81 -4.96 120.51 115.28 3bsx n ALA 1132Ca -0.01 0.19 -0.39 0.00 0.00 0.00 0.00 53.44 53.23 3bsx n ALA 1132Cb 0.23 -2.32 0.03 0.00 0.00 0.00 0.00 19.45 17.39 3bsx n ALA 1132CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3bsx n GLU 1133N -0.47 1.25 -0.34 0.00 2.13 -1.26 -4.71 120.64 117.25 3bsx n GLU 1133Ca 0.08 0.46 0.21 0.00 0.66 0.00 0.00 57.16 58.58 3bsx n GLU 1133Cb 0.42 -2.20 0.44 0.00 0.27 0.00 0.00 31.44 30.38 3bsx n GLU 1133CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3bsx h PRO 1134N 1.11 0.42 -0.32 5.31 0.11 -1.97 -1.83 132.00 134.83 3bsx h PRO 1134Ca -0.47 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3bsx h PRO 1134Cb 1.34 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3bsx h PRO 1134CO 0.54 0.28 0.02 0.78 -0.21 0.00 0.00 178.00 179.41 3bsx h GLY 1135N 0.43 0.59 1.40 -0.55 0.00 -2.01 -2.60 103.07 100.34 3bsx h GLY 1135Ca 0.69 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 47.47 3bsx h GLY 1135CO -0.53 0.38 -0.36 -1.61 0.00 0.00 0.00 176.54 174.42 3bsx h GLN 1136N 0.36 0.66 -0.61 4.80 4.15 -1.79 -3.03 115.11 119.64 3bsx h GLN 1136Ca 0.09 -0.32 0.09 0.00 0.77 0.00 0.00 58.65 59.28 3bsx h GLN 1136Cb 0.40 -0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.02 3bsx h GLN 1136CO 0.01 0.92 0.24 -0.09 -1.93 0.00 0.00 178.83 177.99 3bsx h ARG 1137N 0.56 0.42 0.44 1.69 2.43 -1.28 -1.98 114.38 116.65 3bsx h ARG 1137Ca 0.06 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3bsx h ARG 1137Cb 0.87 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 3bsx h ARG 1137CO 0.08 0.28 -0.35 0.87 -1.51 0.00 0.00 179.97 179.34 3bsx h LYS 1138N 0.43 -0.75 -0.59 0.20 1.57 -1.45 -0.34 116.57 115.64 3bsx h LYS 1138Ca 0.31 0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.24 3bsx h LYS 1138Cb 0.36 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 32.73 3bsx h LYS 1138CO -0.29 -0.50 -0.32 0.82 -0.57 0.00 0.00 179.45 178.59 3bsx h ILE 1139N -0.78 0.19 -0.14 1.86 2.04 -1.38 0.16 117.51 119.45 3bsx h ILE 1139Ca -0.04 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 3bsx h ILE 1139Cb 0.67 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.90 3bsx h ILE 1139CO -0.01 0.00 -0.10 0.58 0.00 0.00 0.00 178.15 178.62 3bsx h VAL 1140N -0.15 0.69 -0.28 1.67 2.07 -1.26 0.99 116.25 119.98 3bsx h VAL 1140Ca 0.24 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.81 3bsx h VAL 1140Cb 0.55 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 3bsx h VAL 1140CO -0.68 0.00 0.02 0.24 0.02 0.00 0.00 177.57 177.17 3bsx h MET 1141N -0.11 0.11 -0.28 1.57 2.86 -0.37 -1.11 114.93 117.60 3bsx h MET 1141Ca 0.09 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.66 3bsx h MET 1141Cb 0.24 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3bsx h MET 1141CO -0.21 0.07 -0.09 1.25 1.06 0.00 0.00 176.91 179.00 3bsx h HIS 1142N 0.12 0.48 -0.09 -0.22 6.17 -0.43 -2.22 115.15 118.95 3bsx h HIS 1142Ca 0.13 -0.06 -0.10 0.00 0.71 0.00 0.00 60.37 61.05 3bsx h HIS 1142Cb 0.16 -0.13 -0.01 0.00 2.52 0.00 0.00 27.41 29.95 3bsx h HIS 1142CO -0.20 0.54 -0.40 -0.22 0.71 0.00 0.00 177.93 178.37 3bsx h LYS 1143N 0.43 0.20 -0.14 5.26 1.63 -0.21 -3.10 116.57 120.65 3bsx h LYS 1143Ca 0.09 -0.09 -0.12 0.00 -0.85 0.00 0.00 60.65 59.67 3bsx h LYS 1143Cb 0.42 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 3bsx h LYS 1143CO 0.02 0.57 -0.44 0.82 -3.45 0.00 0.00 179.45 176.97 3bsx h ILE 1144N 0.17 1.32 -0.72 2.00 2.04 -0.65 -3.37 117.51 118.30 3bsx h ILE 1144Ca 0.02 -1.61 0.14 0.00 1.00 0.00 0.00 64.86 64.41 3bsx h ILE 1144Cb 0.78 1.69 -0.14 0.00 -0.74 0.00 0.00 36.82 38.42 3bsx h ILE 1144CO 0.06 0.49 -0.20 -0.09 0.00 0.00 0.00 178.15 178.41 3bsx h ARG 1145N 0.28 -0.01 -0.68 2.37 9.65 -1.34 -1.59 114.38 123.05 3bsx h ARG 1145Ca 0.02 0.00 0.19 0.00 -1.10 0.00 0.00 59.98 59.09 3bsx h ARG 1145Cb 0.89 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.44 3bsx h ARG 1145CO 0.07 -0.01 0.48 -1.35 2.80 0.00 0.00 179.97 181.97 3bsx h PRO 1146N -0.01 0.04 -0.62 0.20 0.11 -1.76 -2.62 132.00 127.35 3bsx h PRO 1146Ca 0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3bsx h PRO 1146Cb 0.54 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3bsx h PRO 1146CO -0.75 0.03 0.00 0.72 -0.21 0.00 0.00 178.00 177.79 3bsx n HIS 1147N -4.35 0.84 -0.11 0.65 8.25 -0.60 -4.63 115.22 115.26 3bsx n HIS 1147Ca 0.13 -0.41 -0.03 0.00 -0.26 0.00 0.00 57.72 57.15 3bsx n HIS 1147Cb 0.72 -0.01 0.20 0.00 1.12 0.00 0.00 29.99 32.03 3bsx n HIS 1147CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 3bsx h ILE 1148N 3.59 1.22 -0.40 1.59 2.04 -1.51 -0.40 117.51 123.64 3bsx h ILE 1148Ca 0.00 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 64.89 3bsx h ILE 1148Cb 0.84 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3bsx h ILE 1148CO 0.01 0.31 -0.29 0.00 0.00 0.00 0.00 178.15 178.18 3bsx h ALA 1149N 1.35 0.74 -0.28 1.87 0.00 -1.83 -2.85 119.26 118.26 3bsx h ALA 1149Ca 0.16 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.49 3bsx h ALA 1149Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3bsx h ALA 1149CO 0.00 0.66 -0.51 1.15 0.00 0.00 0.00 179.25 180.55 3bsx h THR 1150N 0.73 1.28 -0.08 0.00 2.02 -1.81 -3.31 112.91 111.74 3bsx h THR 1150Ca 0.08 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.55 3bsx h THR 1150Cb 0.84 1.65 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3bsx h THR 1150CO 0.07 0.55 -0.01 -0.07 0.37 0.00 0.00 175.52 176.43 3bsx h LEU 1151N 0.62 0.10 -1.62 2.58 3.38 -0.89 -0.95 115.31 118.53 3bsx h LEU 1151Ca 0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3bsx h LEU 1151Cb 1.12 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.85 3bsx h LEU 1151CO 0.12 0.14 0.00 0.03 0.09 0.00 0.00 178.44 178.82 3bsx h ARG 1152N 0.11 0.00 0.08 1.13 3.08 -1.60 -3.04 114.38 114.15 3bsx h ARG 1152Ca 0.03 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.78 3bsx h ARG 1152Cb 0.11 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 3bsx h ARG 1152CO 0.00 0.00 -1.58 0.87 -1.07 0.00 0.00 179.97 178.19 3bsx h LYS 1153N 0.00 0.18 -6.59 0.04 1.57 -1.34 -3.47 116.57 106.96 3bsx h LYS 1153Ca 0.00 -0.30 -0.52 0.00 -1.87 0.00 0.00 60.65 57.96 3bsx h LYS 1153Cb 0.18 0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3bsx h LYS 1153CO 0.00 0.98 0.24 0.71 -0.57 0.00 0.00 179.45 180.81 3bsx s TYR 1154N -2.61 3.93 0.31 -1.35 2.02 -1.15 -4.98 117.35 113.52 3bsx s TYR 1154Ca -0.09 1.72 0.08 0.00 -0.37 0.00 0.00 57.07 58.41 3bsx s TYR 1154Cb 0.07 -2.84 0.86 0.00 -0.40 0.00 0.00 41.96 39.65 3bsx s TYR 1154CO 0.83 0.49 1.68 1.15 -1.57 0.00 0.00 175.55 178.13 3bsx h THR 1155N 3.30 0.38 -0.00 -0.71 2.02 -1.90 -2.36 112.91 113.64 3bsx h THR 1155Ca -0.46 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 66.60 3bsx h THR 1155Cb 1.20 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 3bsx h THR 1155CO 0.67 0.06 -0.61 -1.22 0.37 0.00 0.00 175.52 174.79 3bsx n TYR 1156N -5.08 0.00 -0.16 3.16 4.01 -1.26 -4.37 117.16 113.46 3bsx n TYR 1156Ca 0.26 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.93 3bsx n TYR 1156Cb 0.78 -0.10 0.02 0.00 -0.31 0.00 0.00 39.34 39.73 3bsx n TYR 1156CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3bsx h GLY 1157N 4.96 0.68 -0.98 2.72 0.00 -1.54 -2.92 103.07 105.98 3bsx h GLY 1157Ca 0.00 -0.23 0.41 0.00 0.00 0.00 0.00 47.33 47.51 3bsx h GLY 1157CO 0.00 0.21 0.65 0.50 0.00 0.00 0.00 176.54 177.90 3bsx h LYS 1158N 0.61 0.07 -0.37 4.80 6.56 -1.73 -0.63 116.57 125.89 3bsx h LYS 1158Ca 0.19 -0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 59.63 3bsx h LYS 1158Cb -0.03 -0.02 -0.01 0.00 -0.57 0.00 0.00 32.23 31.61 3bsx h LYS 1158CO -0.06 0.05 -0.30 0.45 -2.06 0.00 0.00 179.45 177.52 3bsx h HIS 1159N 0.08 1.02 0.23 -1.35 3.86 -1.82 0.13 115.15 117.30 3bsx h HIS 1159Ca 0.83 -0.29 0.00 0.00 -1.16 0.00 0.00 60.37 59.75 3bsx h HIS 1159Cb 2.28 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 30.51 3bsx h HIS 1159CO -0.01 1.09 -0.24 0.82 0.86 0.00 0.00 177.93 180.45 3bsx h ILE 1160N 0.67 0.49 -0.48 2.45 1.08 -1.26 -2.11 117.51 118.34 3bsx h ILE 1160Ca 0.07 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.59 3bsx h ILE 1160Cb 0.88 0.49 -0.05 0.00 -3.07 0.00 0.00 36.82 35.08 3bsx h ILE 1160CO 0.08 0.00 0.22 -0.07 -0.69 0.00 0.00 178.15 177.69 3bsx h LEU 1161N -0.50 0.30 -0.39 1.44 -0.00 -1.38 0.04 115.31 114.82 3bsx h LEU 1161Ca -0.00 0.04 0.08 0.00 -0.00 0.00 0.00 57.88 57.99 3bsx h LEU 1161Cb 0.47 -0.02 -0.09 0.00 -0.00 0.00 0.00 40.66 41.02 3bsx h LEU 1161CO -0.05 0.21 -0.25 0.00 -0.00 0.00 0.00 178.44 178.34 3bsx h ALA 1162N 1.28 -0.03 -0.08 1.53 0.00 -0.67 -0.71 119.26 120.58 3bsx h ALA 1162Ca 0.22 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.26 3bsx h ALA 1162Cb 0.16 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3bsx h ALA 1162CO -0.17 -0.63 0.01 -0.22 0.00 0.00 0.00 179.25 178.23 3bsx h LYS 1163N -0.19 0.04 -0.74 0.00 1.63 -0.68 -2.49 116.57 114.13 3bsx h LYS 1163Ca 0.19 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.06 3bsx h LYS 1163Cb 0.48 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.04 3bsx h LYS 1163CO -0.50 0.03 0.41 -0.07 -3.45 0.00 0.00 179.45 175.87 3bsx h LEU 1164N 0.04 0.61 -1.94 5.20 4.07 -0.75 -1.90 115.31 120.63 3bsx h LEU 1164Ca 0.04 0.04 0.03 0.00 0.08 0.00 0.00 57.88 58.06 3bsx h LEU 1164Cb 0.03 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3bsx h LEU 1164CO -0.05 0.37 0.10 -0.08 -1.08 0.00 0.00 178.44 177.70 3bsx h GLU 1165N 0.74 0.08 -0.65 1.13 4.81 -0.70 -0.49 114.58 119.49 3bsx h GLU 1165Ca 0.34 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3bsx h GLU 1165Cb 0.26 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 3bsx h GLU 1165CO -0.21 0.05 0.40 0.87 -0.73 0.00 0.00 179.01 179.40 3bsx h LYS 1166N 0.08 0.88 0.20 1.92 1.79 -0.98 -3.15 116.57 117.30 3bsx h LYS 1166Ca 0.06 -0.07 -0.31 0.00 -2.18 0.00 0.00 60.65 58.15 3bsx h LYS 1166Cb 0.16 -0.19 0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3bsx h LYS 1166CO -0.01 0.61 -1.42 1.88 -1.08 0.00 0.00 179.45 179.44 3bsx h TYR 1167N 0.88 0.77 0.00 -1.35 -1.99 -1.21 -3.52 116.97 110.55 3bsx h TYR 1167Ca 0.24 -0.56 0.00 0.00 2.00 0.00 0.00 58.73 60.40 3bsx h TYR 1167Cb -0.05 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.65 3bsx h TYR 1167CO -0.02 1.46 0.00 0.66 -0.00 0.00 0.00 178.16 180.26