#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pbn s ALA 827 N 0.00 2.11 0.08 4.31 0.00 -1.26 -4.92 121.76 122.07 2pbn s ALA 827 Ca 0.00 0.82 0.06 0.00 0.00 0.00 0.00 51.96 52.85 2pbn s ALA 827 Cb 0.00 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 2pbn s ALA 827 CO 0.00 -1.88 -0.17 0.96 0.00 0.00 0.00 175.76 174.67 2pbn s ILE 828 N -2.07 1.34 0.76 0.00 -4.36 0.00 -4.91 121.20 111.96 2pbn s ILE 828 Ca 0.73 -1.37 -0.15 0.00 -0.26 0.00 0.00 60.65 59.60 2pbn s ILE 828 Cb -0.28 -1.25 0.05 0.00 1.25 0.00 0.00 42.46 42.24 2pbn s ILE 828 CO 0.46 -0.15 1.22 -2.84 0.24 0.00 0.00 174.94 173.87 2pbn s PRO 829 N -1.76 1.95 0.27 0.37 0.02 -1.26 -0.68 135.00 133.90 2pbn s PRO 829 Ca 0.01 1.81 -0.00 0.00 0.02 0.00 0.00 61.00 62.84 2pbn s PRO 829 Cb -0.10 -1.81 0.57 0.00 0.02 0.00 0.00 34.50 33.18 2pbn s PRO 829 CO 0.03 -1.99 1.74 0.28 -0.33 0.00 0.00 177.00 176.73 2pbn h VAL 830 N -0.47 0.66 -0.38 3.83 2.07 -1.62 -0.37 116.25 119.96 2pbn h VAL 830 Ca -0.47 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 66.86 2pbn h VAL 830 Cb 1.30 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 2pbn h VAL 830 CO 0.48 0.10 0.25 0.50 0.02 0.00 0.00 177.57 178.92 2pbn h LYS 831 N 0.55 0.49 -0.79 1.57 3.64 -1.90 -0.31 116.57 119.82 2pbn h LYS 831 Ca 0.48 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.79 2pbn h LYS 831 Cb 0.74 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 2pbn h LYS 831 CO -0.41 0.32 0.33 0.37 -2.27 0.00 0.00 179.45 177.80 2pbn h GLN 832 N 0.50 1.18 -0.48 1.90 4.15 -1.73 -2.91 115.11 117.72 2pbn h GLN 832 Ca 0.14 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.35 2pbn h GLN 832 Cb -0.04 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.43 2pbn h GLN 832 CO -0.04 0.95 0.27 0.35 -1.93 0.00 0.00 178.83 178.43 2pbn h PHE 833 N 1.15 0.65 -0.38 3.99 3.57 -0.52 0.41 116.94 125.81 2pbn h PHE 833 Ca 0.27 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.77 2pbn h PHE 833 Cb 0.20 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 2pbn h PHE 833 CO 0.02 0.47 0.23 0.28 -2.23 0.00 0.00 178.31 177.08 2pbn h VAL 834 N 0.63 1.07 -0.52 1.41 2.07 -0.90 -1.26 116.25 118.75 2pbn h VAL 834 Ca 0.17 -0.16 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 2pbn h VAL 834 Cb 0.03 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.32 2pbn h VAL 834 CO -0.03 0.09 0.01 0.11 0.02 0.00 0.00 177.57 177.77 2pbn h LYS 835 N 0.48 0.88 -0.65 1.57 1.57 -1.33 -2.60 116.57 116.49 2pbn h LYS 835 Ca 0.14 -0.25 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2pbn h LYS 835 Cb -0.03 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 2pbn h LYS 835 CO -0.05 0.88 0.43 1.25 -0.57 0.00 0.00 179.45 181.38 2pbn h HIS 836 N 0.82 0.61 -0.78 -1.35 2.76 -0.24 0.33 115.15 117.30 2pbn h HIS 836 Ca 0.16 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.32 2pbn h HIS 836 Cb 0.48 -0.20 -0.04 0.00 1.55 0.00 0.00 27.41 29.20 2pbn h HIS 836 CO 0.03 0.32 0.40 0.82 -1.30 0.00 0.00 177.93 178.20 2pbn h ILE 837 N 0.60 1.24 -0.73 6.26 2.04 -0.85 0.14 117.51 126.21 2pbn h ILE 837 Ca 0.28 -0.63 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 2pbn h ILE 837 Cb 0.34 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 2pbn h ILE 837 CO -0.09 0.28 0.28 1.23 0.00 0.00 0.00 178.15 179.84 2pbn h GLY 838 N 1.09 1.18 1.00 5.37 0.00 -0.96 -1.17 103.07 109.59 2pbn h GLY 838 Ca 0.27 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 2pbn h GLY 838 CO -0.04 0.61 0.09 -2.09 0.00 0.00 0.00 176.54 175.11 2pbn h GLU 839 N 1.07 0.89 -0.39 4.80 4.81 -0.32 -1.98 114.58 123.47 2pbn h GLU 839 Ca 0.24 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2pbn h GLU 839 Cb 0.23 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2pbn h GLU 839 CO -0.02 0.87 0.13 -0.07 -0.73 0.00 0.00 179.01 179.19 2pbn h LEU 840 N 0.78 0.50 -0.56 1.64 3.38 -0.09 -2.00 115.31 118.96 2pbn h LEU 840 Ca 0.16 -0.06 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 2pbn h LEU 840 Cb 0.40 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2pbn h LEU 840 CO 0.01 0.48 -0.72 1.88 0.09 0.00 0.00 178.44 180.18 2pbn h TYR 841 N 0.55 0.05 -3.92 1.13 -1.99 -1.01 -3.17 116.97 108.61 2pbn h TYR 841 Ca 0.13 -0.02 -0.49 0.00 2.00 0.00 0.00 58.73 60.35 2pbn h TYR 841 Cb 0.15 -0.01 0.19 0.00 2.00 0.00 0.00 36.73 39.07 2pbn h TYR 841 CO 0.01 0.74 0.16 -1.54 -0.00 0.00 0.00 178.16 177.53 2pbn s SER 842 N -6.83 2.42 -1.26 3.88 1.04 -0.75 -1.40 113.70 110.79 2pbn s SER 842 Ca -0.01 1.87 -0.03 0.00 0.48 0.00 0.00 55.95 58.26 2pbn s SER 842 Cb 0.12 -2.44 0.01 0.00 0.10 0.00 0.00 66.02 63.81 2pbn s SER 842 CO 0.78 -3.36 1.02 -3.20 0.98 0.00 0.00 173.24 169.46 2pbn n ASN 843 N -4.39 -3.16 -3.80 7.02 5.15 -1.26 -1.95 115.26 112.88 2pbn n ASN 843 Ca 0.08 -0.62 -0.28 0.00 -0.60 0.00 0.00 54.58 53.16 2pbn n ASN 843 Cb 0.53 -4.97 0.05 0.00 -0.53 0.00 0.00 39.78 34.86 2pbn n ASN 843 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2pbn n ASN 844 N -3.09 -5.36 -1.25 1.20 5.15 -1.25 -2.37 115.26 108.29 2pbn n ASN 844 Ca -0.20 -0.69 -0.14 0.00 -0.60 0.00 0.00 54.58 52.94 2pbn n ASN 844 Cb 0.64 -4.32 -0.05 0.00 -0.53 0.00 0.00 39.78 35.52 2pbn n ASN 844 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pbn n GLN 845 N -4.81 -1.03 -0.27 1.20 6.02 -0.50 -4.91 117.38 113.09 2pbn n GLN 845 Ca 0.03 0.91 0.05 0.00 -0.01 0.00 0.00 57.00 57.98 2pbn n GLN 845 Cb 0.54 -5.07 0.18 0.00 1.02 0.00 0.00 30.24 26.91 2pbn n GLN 845 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2pbn h HIS 846 N 0.00 0.67 -0.58 1.08 2.76 -1.41 -2.21 115.15 115.46 2pbn h HIS 846 Ca -0.31 0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 57.82 2pbn h HIS 846 Cb 1.02 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 29.78 2pbn h HIS 846 CO 0.39 0.18 0.06 0.78 -1.30 0.00 0.00 177.93 178.04 2pbn h GLY 847 N 0.58 1.04 0.98 5.26 0.00 -1.78 -1.81 103.07 107.33 2pbn h GLY 847 Ca 0.41 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 47.03 2pbn h GLY 847 CO -0.34 0.63 0.22 0.74 0.00 0.00 0.00 176.54 177.80 2pbn h PHE 848 N 0.90 0.80 -0.70 5.60 0.05 -1.38 -0.95 116.94 121.26 2pbn h PHE 848 Ca 0.18 -0.06 0.02 0.00 3.82 0.00 0.00 57.97 61.93 2pbn h PHE 848 Cb 0.44 -0.24 -0.04 0.00 2.00 0.00 0.00 35.95 38.11 2pbn h PHE 848 CO 0.03 0.65 0.45 0.77 -0.18 0.00 0.00 178.31 180.03 2pbn h SER 849 N 0.72 0.76 -0.12 2.17 0.02 -1.10 0.18 113.55 116.18 2pbn h SER 849 Ca 0.18 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2pbn h SER 849 Cb 0.19 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2pbn h SER 849 CO -0.02 0.54 0.06 -0.33 -1.14 0.00 0.00 176.83 175.94 2pbn h GLU 850 N 0.90 0.17 -0.39 3.45 4.39 -0.98 -1.39 114.58 120.72 2pbn h GLU 850 Ca 0.27 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.98 2pbn h GLU 850 Cb -0.05 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.53 2pbn h GLU 850 CO -0.08 0.22 0.17 -0.44 -1.16 0.00 0.00 179.01 177.72 2pbn h ASP 851 N 0.07 0.22 -0.64 1.42 5.19 -1.02 -1.66 116.42 120.00 2pbn h ASP 851 Ca 0.04 0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.40 2pbn h ASP 851 Cb 0.11 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.59 2pbn h ASP 851 CO -0.01 0.17 0.12 0.15 -3.12 0.00 0.00 179.24 176.55 2pbn h PHE 852 N 0.35 1.14 -0.96 4.55 3.04 -0.81 -1.09 116.94 123.15 2pbn h PHE 852 Ca 0.17 -0.15 0.01 0.00 3.98 0.00 0.00 57.97 61.98 2pbn h PHE 852 Cb 0.11 -0.32 -0.05 0.00 2.56 0.00 0.00 35.95 38.26 2pbn h PHE 852 CO -0.12 0.95 0.62 1.49 -2.02 0.00 0.00 178.31 179.23 2pbn h GLU 853 N 1.01 1.27 -0.65 1.11 4.57 -1.03 0.24 114.58 121.10 2pbn h GLU 853 Ca 0.20 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2pbn h GLU 853 Cb 0.42 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 2pbn h GLU 853 CO 0.01 0.85 0.42 1.49 -1.18 0.00 0.00 179.01 180.60 2pbn h GLU 854 N 1.31 0.87 -0.29 1.92 4.81 -0.68 -0.82 114.58 121.69 2pbn h GLU 854 Ca 0.35 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.52 2pbn h GLU 854 Cb -0.13 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.04 2pbn h GLU 854 CO -0.07 0.59 0.19 0.28 -0.73 0.00 0.00 179.01 179.26 2pbn h VAL 855 N 0.88 1.06 -0.22 0.32 2.07 -0.44 -2.05 116.25 117.88 2pbn h VAL 855 Ca 0.24 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 2pbn h VAL 855 Cb -0.07 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 2pbn h VAL 855 CO -0.05 0.07 0.11 1.56 0.02 0.00 0.00 177.57 179.28 2pbn h GLN 856 N 0.38 0.29 -0.02 1.57 1.08 -0.40 -2.39 115.11 115.62 2pbn h GLN 856 Ca 0.11 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2pbn h GLN 856 Cb -0.03 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 2pbn h GLN 856 CO -0.03 0.23 -0.13 0.54 -0.95 0.00 0.00 178.83 178.48 2pbn n ARG 857 N -4.47 1.66 0.00 1.46 1.74 -0.37 -4.62 116.66 112.07 2pbn n ARG 857 Ca 0.00 -1.21 0.09 0.00 -0.77 0.00 0.00 57.85 55.96 2pbn n ARG 857 Cb 0.10 -1.47 0.40 0.00 -1.02 0.00 0.00 32.46 30.47 2pbn n ARG 857 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2pbn n THR 859 N -1.47 0.95 -0.04 0.00 -2.24 -1.26 -4.81 114.28 105.40 2pbn n THR 859 Ca 0.05 -0.98 0.17 0.00 -2.27 0.00 0.00 64.05 61.02 2pbn n THR 859 Cb 0.20 0.50 0.61 0.00 -2.10 0.00 0.00 70.33 69.54 2pbn n THR 859 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pbn h ALA 860 N 0.00 2.29 -0.48 6.98 0.00 -1.73 -1.41 119.26 124.91 2pbn h ALA 860 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pbn h ALA 860 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2pbn h ALA 860 CO 0.00 -0.44 0.00 -0.25 0.00 0.00 0.00 179.25 178.56 2pbn n ASP 861 N -4.43 3.40 0.01 0.00 8.00 -1.26 -4.58 116.55 117.69 2pbn n ASP 861 Ca 0.10 -2.07 0.12 0.00 0.71 0.00 0.00 54.79 53.65 2pbn n ASP 861 Cb 0.51 -0.35 0.25 0.00 -0.02 0.00 0.00 41.12 41.52 2pbn n ASP 861 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 2pbn n MET 862 N 0.86 0.08 -3.70 -1.24 2.81 -0.53 -4.95 117.12 110.44 2pbn n MET 862 Ca 0.17 0.02 -0.24 0.00 -1.81 0.00 0.00 57.70 55.84 2pbn n MET 862 Cb 0.53 -1.55 0.05 0.00 -0.71 0.00 0.00 33.22 31.55 2pbn n MET 862 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2pbn n ASN 863 N -1.66 -3.85 -4.69 7.83 3.02 -1.26 -4.91 115.26 109.75 2pbn n ASN 863 Ca 0.05 -0.70 -0.42 0.00 -0.03 0.00 0.00 54.58 53.48 2pbn n ASN 863 Cb 0.36 -4.44 -0.03 0.00 -0.61 0.00 0.00 39.78 35.07 2pbn n ASN 863 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pbn s ILE 864 N -3.41 4.21 0.30 2.41 1.01 -1.26 -5.01 121.20 119.45 2pbn s ILE 864 Ca 0.37 1.54 -0.03 0.00 0.00 0.00 0.00 60.65 62.53 2pbn s ILE 864 Cb -0.18 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 2pbn s ILE 864 CO 0.78 -0.00 0.55 0.42 0.00 0.00 0.00 174.94 176.69 2pbn s THR 865 N 2.22 5.06 -0.38 2.92 -4.23 -1.26 -4.99 115.64 114.98 2pbn s THR 865 Ca 0.57 -0.12 0.12 0.00 -1.18 0.00 0.00 61.69 61.07 2pbn s THR 865 Cb -0.25 -3.77 0.36 0.00 1.34 0.00 0.00 72.50 70.17 2pbn s THR 865 CO 0.22 -0.40 0.82 0.00 -0.54 0.00 0.00 174.62 174.73 2pbn n ALA 866 N -1.20 1.77 -0.31 3.99 0.00 -1.26 -0.85 120.51 122.66 2pbn n ALA 866 Ca -0.03 -3.06 -0.03 0.00 0.00 0.00 0.00 53.44 50.32 2pbn n ALA 866 Cb 0.55 -0.96 0.13 0.00 0.00 0.00 0.00 19.45 19.16 2pbn n ALA 866 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2pbn h GLU 867 N 2.98 1.20 -0.23 0.00 4.39 -1.95 -2.28 114.58 118.69 2pbn h GLU 867 Ca 0.04 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 2pbn h GLU 867 Cb 1.02 -0.25 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2pbn h GLU 867 CO 0.44 0.85 -0.03 0.45 -1.16 0.00 0.00 179.01 179.56 2pbn h HIS 868 N 1.21 0.46 -0.92 4.33 3.86 -1.94 -2.01 115.15 120.16 2pbn h HIS 868 Ca 0.31 -0.09 0.13 0.00 -1.16 0.00 0.00 60.37 59.56 2pbn h HIS 868 Cb -0.02 -0.12 -0.07 0.00 1.06 0.00 0.00 27.41 28.26 2pbn h HIS 868 CO 0.01 0.63 0.59 0.77 0.86 0.00 0.00 177.93 180.78 2pbn h SER 869 N 0.17 0.75 0.56 2.45 0.02 -1.76 -1.48 113.55 114.26 2pbn h SER 869 Ca 0.06 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2pbn h SER 869 Cb 0.46 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.89 2pbn h SER 869 CO 0.02 0.40 -0.05 0.59 -1.14 0.00 0.00 176.83 176.65 2pbn n ASN 870 N -4.57 0.14 -4.73 3.07 3.02 -0.87 -4.57 115.26 106.74 2pbn n ASN 870 Ca 0.17 -0.18 -0.41 0.00 -0.03 0.00 0.00 54.58 54.12 2pbn n ASN 870 Cb 0.41 -0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 2pbn n ASN 870 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2pbn s HIS 871 N -2.61 3.35 0.46 3.10 2.46 -0.56 -4.90 115.29 116.59 2pbn s HIS 871 Ca 0.26 1.27 0.24 0.00 0.47 0.00 0.00 55.06 57.30 2pbn s HIS 871 Cb 0.20 -3.52 1.25 0.00 -0.13 0.00 0.00 32.58 30.38 2pbn s HIS 871 CO 0.48 -1.60 1.83 -1.35 -2.47 0.00 0.00 174.74 171.64 2pbn h PRO 872 N 5.80 0.25 0.00 2.88 0.11 -1.90 0.27 132.00 139.40 2pbn h PRO 872 Ca -0.44 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 2pbn h PRO 872 Cb 1.21 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2pbn h PRO 872 CO 0.78 0.16 -0.15 1.49 -0.21 0.00 0.00 178.00 180.07 2pbn h GLU 873 N 0.25 0.00 -0.02 1.05 4.81 -1.93 -2.88 114.58 115.87 2pbn h GLU 873 Ca 0.51 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2pbn h GLU 873 Cb 1.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.92 2pbn h GLU 873 CO -0.15 0.15 -0.38 0.09 -0.73 0.00 0.00 179.01 177.99 2pbn n ASN 874 N -3.48 2.00 -0.15 1.04 3.02 0.91 -4.59 115.26 114.02 2pbn n ASN 874 Ca -0.01 -1.49 -0.03 0.00 -0.03 0.00 0.00 54.58 53.02 2pbn n ASN 874 Cb 0.32 0.37 0.05 0.00 -0.61 0.00 0.00 39.78 39.91 2pbn n ASN 874 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 2pbn h LYS 875 N 2.54 0.10 0.00 3.52 3.64 -1.25 0.23 116.57 125.34 2pbn h LYS 875 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2pbn h LYS 875 Cb 0.75 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.55 2pbn h LYS 875 CO 0.00 0.06 0.00 -2.39 -2.27 0.00 0.00 179.45 174.85 2pbn n HIS 876 N -5.24 0.02 1.33 1.91 1.44 -1.26 -2.11 115.22 111.31 2pbn n HIS 876 Ca 0.05 0.01 0.13 0.00 -2.01 0.00 0.00 57.72 55.90 2pbn n HIS 876 Cb 0.26 -0.51 0.40 0.00 0.12 0.00 0.00 29.99 30.26 2pbn n HIS 876 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2pbn n LYS 877 N -1.52 1.33 -4.20 -1.40 5.02 0.79 -4.84 118.16 113.33 2pbn n LYS 877 Ca 0.02 -0.83 -0.34 0.00 -2.02 0.00 0.00 58.31 55.14 2pbn n LYS 877 Cb 0.11 -1.48 -0.12 0.00 -0.02 0.00 0.00 35.03 33.52 2pbn n LYS 877 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2pbn s ASN 878 N -2.24 4.95 0.25 4.39 0.01 -0.89 -4.52 114.94 116.88 2pbn s ASN 878 Ca 0.30 -0.13 -0.00 0.00 -0.71 0.00 0.00 52.86 52.32 2pbn s ASN 878 Cb 0.20 -1.83 0.32 0.00 0.41 0.00 0.00 41.25 40.35 2pbn s ASN 878 CO 0.43 0.13 1.69 -0.09 -1.51 0.00 0.00 177.10 177.74 2pbn h ARG 879 N 7.03 0.61 -4.15 -0.60 2.43 -1.88 -3.43 114.38 114.39 2pbn h ARG 879 Ca -0.34 -0.23 -0.44 0.00 -0.81 0.00 0.00 59.98 58.15 2pbn h ARG 879 Cb 1.18 -0.03 -0.34 0.00 -0.42 0.00 0.00 29.97 30.36 2pbn h ARG 879 CO 0.63 0.79 -0.78 0.71 -1.51 0.00 0.00 179.97 179.81 2pbn s TYR 880 N -4.56 0.97 0.42 2.20 2.02 -1.26 -5.05 117.35 112.10 2pbn s TYR 880 Ca -0.08 -0.32 0.09 0.00 -0.37 0.00 0.00 57.07 56.39 2pbn s TYR 880 Cb 0.13 -0.81 0.93 0.00 -0.40 0.00 0.00 41.96 41.82 2pbn s TYR 880 CO 0.81 -0.24 2.05 0.97 -1.57 0.00 0.00 175.55 177.57 2pbn h ILE 881 N 6.11 1.05 -0.01 2.71 2.10 -1.96 -1.99 117.51 125.52 2pbn h ILE 881 Ca -0.34 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.43 2pbn h ILE 881 Cb 1.16 0.53 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 2pbn h ILE 881 CO 0.46 0.09 -0.07 -0.46 -1.08 0.00 0.00 178.15 177.08 2pbn n ASN 882 N -4.48 1.15 -4.18 2.19 6.94 -1.26 -4.72 115.26 110.90 2pbn n ASN 882 Ca 0.04 -1.22 -0.38 0.00 -0.02 0.00 0.00 54.58 53.01 2pbn n ASN 882 Cb 0.14 0.02 -0.11 0.00 -2.36 0.00 0.00 39.78 37.47 2pbn n ASN 882 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2pbn s ILE 883 N -2.16 3.62 0.35 1.53 -1.09 -0.75 -5.07 121.20 117.62 2pbn s ILE 883 Ca 0.35 -1.76 0.06 0.00 -2.23 0.00 0.00 60.65 57.08 2pbn s ILE 883 Cb 0.21 -3.34 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 2pbn s ILE 883 CO 0.39 -0.58 0.49 -0.76 -1.23 0.00 0.00 174.94 173.26 2pbn s LEU 884 N 1.26 3.91 -0.30 2.97 1.43 -1.26 -4.73 118.68 121.97 2pbn s LEU 884 Ca 0.05 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.93 2pbn s LEU 884 Cb -0.23 -2.76 0.05 0.00 0.03 0.00 0.00 46.19 43.28 2pbn s LEU 884 CO -0.02 -0.49 -0.00 0.00 0.23 0.00 0.00 176.35 176.07 2pbn s ALA 885 N -2.22 2.81 0.36 4.21 0.00 -1.26 -4.50 121.76 121.16 2pbn s ALA 885 Ca 0.47 -1.72 -0.28 0.00 0.00 0.00 0.00 51.96 50.42 2pbn s ALA 885 Cb -0.10 -1.92 -0.12 0.00 0.00 0.00 0.00 23.12 20.98 2pbn s ALA 885 CO 0.32 -1.22 1.43 0.66 0.00 0.00 0.00 175.76 176.94 2pbn n TYR 886 N 4.64 2.74 -0.23 0.00 4.01 -1.26 -4.56 117.16 122.49 2pbn n TYR 886 Ca -0.14 0.47 -0.05 0.00 -0.16 0.00 0.00 57.90 58.03 2pbn n TYR 886 Cb 0.44 -2.50 0.05 0.00 -0.31 0.00 0.00 39.34 37.03 2pbn n TYR 886 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2pbn h ASP 887 N 2.92 0.70 0.99 7.72 3.32 -1.35 -1.50 116.42 129.22 2pbn h ASP 887 Ca -0.49 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2pbn h ASP 887 Cb 1.26 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2pbn h ASP 887 CO 0.64 0.50 0.00 1.12 -1.72 0.00 0.00 179.24 179.79 2pbn h HIS 888 N 0.84 0.00 0.00 4.55 2.07 -1.91 -3.16 115.15 117.54 2pbn h HIS 888 Ca 0.25 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.77 2pbn h HIS 888 Cb -0.05 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.93 2pbn h HIS 888 CO -0.04 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 173.69 2pbn n SER 889 N -2.97 1.22 -4.77 3.10 3.41 -1.13 -5.07 113.62 107.41 2pbn n SER 889 Ca 0.01 -1.23 -0.37 0.00 -0.26 0.00 0.00 58.87 57.02 2pbn n SER 889 Cb 0.30 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2pbn n SER 889 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pbn s ARG 890 N -0.23 3.58 -0.08 4.33 1.70 -0.58 -0.58 118.95 127.09 2pbn s ARG 890 Ca 0.00 1.78 -0.26 0.00 -0.47 0.00 0.00 55.73 56.77 2pbn s ARG 890 Cb 0.00 -2.28 -0.03 0.00 -0.57 0.00 0.00 34.95 32.07 2pbn s ARG 890 CO 0.00 -0.70 0.83 0.08 -1.08 0.00 0.00 175.30 174.44 2pbn s VAL 891 N -1.58 4.93 -0.16 4.99 1.01 -0.56 -4.76 120.40 124.28 2pbn s VAL 891 Ca 0.67 1.70 -0.08 0.00 0.00 0.00 0.00 61.98 64.27 2pbn s VAL 891 Cb -0.28 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 31.89 2pbn s VAL 891 CO 0.34 0.15 0.13 -0.54 0.00 0.00 0.00 175.10 175.18 2pbn s LYS 892 N 1.32 3.81 0.23 2.72 1.02 -1.26 -4.23 119.74 123.34 2pbn s LYS 892 Ca 0.42 -0.18 -0.22 0.00 0.02 0.00 0.00 55.97 56.01 2pbn s LYS 892 Cb -0.18 -3.30 -0.08 0.00 -0.52 0.00 0.00 37.83 33.74 2pbn s LYS 892 CO 0.19 0.54 0.78 -0.51 -0.92 0.00 0.00 175.35 175.43 2pbn s LEU 893 N -0.34 4.40 0.19 3.17 1.43 -0.29 -5.03 118.68 122.22 2pbn s LEU 893 Ca 0.11 1.56 -0.33 0.00 -1.03 0.00 0.00 54.13 54.45 2pbn s LEU 893 Cb -0.12 -3.60 -0.14 0.00 0.03 0.00 0.00 46.19 42.36 2pbn s LEU 893 CO 0.01 0.06 1.39 0.54 0.23 0.00 0.00 176.35 178.58 2pbn n ARG 894 N 0.90 1.81 -2.24 1.70 1.74 -1.26 -4.39 116.66 114.93 2pbn n ARG 894 Ca -0.02 0.65 -0.36 0.00 -0.77 0.00 0.00 57.85 57.34 2pbn n ARG 894 Cb 0.50 -2.30 -0.00 0.00 -1.02 0.00 0.00 32.46 29.64 2pbn n ARG 894 CO 0.00 0.00 0.00 -2.14 -1.52 0.00 0.00 177.63 173.97 2pbn s PRO 895 N -0.02 3.57 -0.06 5.56 0.02 -1.26 -4.67 135.00 138.15 2pbn s PRO 895 Ca 0.73 1.73 -0.14 0.00 0.02 0.00 0.00 61.00 63.35 2pbn s PRO 895 Cb -0.72 -2.24 -0.05 0.00 0.02 0.00 0.00 34.50 31.50 2pbn s PRO 895 CO 0.47 -0.70 0.36 -0.51 -0.33 0.00 0.00 177.00 176.29 2pbn s LEU 896 N -3.35 4.40 0.71 -5.54 1.43 -1.26 -5.04 118.68 110.03 2pbn s LEU 896 Ca 0.68 0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 54.45 2pbn s LEU 896 Cb -0.27 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.48 2pbn s LEU 896 CO 0.32 0.26 1.09 -2.16 0.23 0.00 0.00 176.35 176.09 2pbn s PRO 897 N -0.60 2.62 0.18 1.29 0.04 -1.26 -4.17 135.00 133.09 2pbn s PRO 897 Ca 0.21 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2pbn s PRO 897 Cb -0.15 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2pbn s PRO 897 CO 0.10 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.18 2pbn n GLY 898 N -1.07 -1.62 3.77 0.56 0.00 -1.26 -4.81 105.19 100.75 2pbn n GLY 898 Ca 0.09 -1.92 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 2pbn n GLY 898 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pbn s LYS 899 N 0.00 3.94 -1.82 1.61 1.02 -1.26 -2.26 119.74 120.97 2pbn s LYS 899 Ca 0.00 2.16 0.00 0.00 0.02 0.00 0.00 55.97 58.15 2pbn s LYS 899 Cb 0.00 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 2pbn s LYS 899 CO 0.00 -0.52 0.00 -0.25 -0.92 0.00 0.00 175.35 173.66 2pbn n ASP 900 N 0.08 -4.96 -0.16 2.83 8.00 -1.26 -4.87 116.55 116.22 2pbn n ASP 900 Ca 0.04 0.32 0.07 0.00 0.71 0.00 0.00 54.79 55.93 2pbn n ASP 900 Cb 0.44 -4.34 0.37 0.00 -0.02 0.00 0.00 41.12 37.57 2pbn n ASP 900 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2pbn h SER 901 N 0.00 0.62 -0.09 -2.24 4.64 -1.62 -3.18 113.55 111.69 2pbn h SER 901 Ca -0.39 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.97 2pbn h SER 901 Cb 1.23 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 63.13 2pbn h SER 901 CO 0.54 0.40 -0.37 0.50 -0.87 0.00 0.00 176.83 177.03 2pbn h LYS 902 N 0.71 -0.45 -0.33 4.77 1.63 -1.86 -1.71 116.57 119.33 2pbn h LYS 902 Ca 0.30 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2pbn h LYS 902 Cb 0.26 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 2pbn h LYS 902 CO -0.09 -0.30 0.00 0.72 -3.45 0.00 0.00 179.45 176.33 2pbn n HIS 903 N -5.43 0.43 0.62 1.91 8.25 -1.23 -3.94 115.22 115.83 2pbn n HIS 903 Ca -0.04 -0.22 0.06 0.00 -0.26 0.00 0.00 57.72 57.27 2pbn n HIS 903 Cb 0.35 0.00 0.32 0.00 1.12 0.00 0.00 29.99 31.78 2pbn n HIS 903 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2pbn n SER 904 N 0.56 0.00 -0.44 0.41 3.41 -0.64 -2.53 113.62 114.39 2pbn n SER 904 Ca 0.14 0.04 0.14 0.00 -0.26 0.00 0.00 58.87 58.93 2pbn n SER 904 Cb 0.33 -0.25 0.54 0.00 -0.26 0.00 0.00 64.21 64.58 2pbn n SER 904 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2pbn n ASP 905 N -1.25 1.39 -4.76 4.04 5.75 -1.25 -4.68 116.55 115.79 2pbn n ASP 905 Ca 0.06 -1.44 -0.36 0.00 -0.01 0.00 0.00 54.79 53.04 2pbn n ASP 905 Cb 0.09 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.11 2pbn n ASP 905 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2pbn s TYR 906 N -2.02 3.47 0.02 2.11 5.04 -1.05 -1.14 117.35 123.78 2pbn s TYR 906 Ca 0.38 0.47 -0.00 0.00 -2.44 0.00 0.00 57.07 55.48 2pbn s TYR 906 Cb 0.21 -2.18 -0.02 0.00 0.35 0.00 0.00 41.96 40.33 2pbn s TYR 906 CO 0.34 0.37 -0.02 -1.50 -1.34 0.00 0.00 175.55 173.41 2pbn s ILE 907 N 0.07 0.09 -1.05 3.14 2.07 -1.26 -4.93 121.20 119.33 2pbn s ILE 907 Ca 0.12 -0.71 -0.23 0.00 -1.41 0.00 0.00 60.65 58.43 2pbn s ILE 907 Cb -0.12 -0.20 0.04 0.00 0.13 0.00 0.00 42.46 42.31 2pbn s ILE 907 CO 0.01 -0.39 1.54 0.21 -1.91 0.00 0.00 174.94 174.41 2pbn s ASN 908 N -1.13 6.38 -0.18 4.50 3.84 -1.26 -4.66 114.94 122.43 2pbn s ASN 908 Ca -0.12 -1.50 -0.28 0.00 0.21 0.00 0.00 52.86 51.16 2pbn s ASN 908 Cb -0.08 -2.57 0.09 0.00 -0.55 0.00 0.00 41.25 38.14 2pbn s ASN 908 CO -0.01 -1.62 0.81 0.00 -2.79 0.00 0.00 177.10 173.50 2pbn s ALA 909 N 5.50 -1.84 0.04 1.71 0.00 -1.26 -3.14 121.76 122.77 2pbn s ALA 909 Ca 0.50 1.68 0.03 0.00 0.00 0.00 0.00 51.96 54.17 2pbn s ALA 909 Cb -0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 2pbn s ALA 909 CO -0.06 -0.33 -0.10 -0.80 0.00 0.00 0.00 175.76 174.47 2pbn s ASN 910 N -0.45 1.12 0.31 0.00 -0.87 -0.18 -1.49 114.94 113.38 2pbn s ASN 910 Ca -0.04 -0.45 -0.29 0.00 -1.57 0.00 0.00 52.86 50.52 2pbn s ASN 910 Cb -0.02 -0.03 -0.10 0.00 -0.02 0.00 0.00 41.25 41.07 2pbn s ASN 910 CO 0.03 -0.07 1.25 -0.31 -2.57 0.00 0.00 177.10 175.43 2pbn s TYR 911 N -0.98 3.21 -0.01 2.20 2.02 0.25 -0.74 117.35 123.29 2pbn s TYR 911 Ca -0.04 1.48 0.02 0.00 -0.37 0.00 0.00 57.07 58.16 2pbn s TYR 911 Cb -0.08 -3.57 -0.00 0.00 -0.40 0.00 0.00 41.96 37.91 2pbn s TYR 911 CO 0.01 -1.50 -0.06 0.08 -1.57 0.00 0.00 175.55 172.51 2pbn s VAL 912 N -1.06 0.54 0.62 0.71 1.01 -0.12 -4.80 120.40 117.30 2pbn s VAL 912 Ca 0.48 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 62.04 2pbn s VAL 912 Cb -0.37 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 2pbn s VAL 912 CO 0.49 0.16 1.10 -1.81 0.00 0.00 0.00 175.10 175.04 2pbn s ASP 913 N 0.01 5.39 0.00 3.32 1.01 -1.26 -1.18 116.67 123.96 2pbn s ASP 913 Ca 0.00 1.98 0.00 0.00 0.71 0.00 0.00 52.55 55.24 2pbn s ASP 913 Cb -0.05 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2pbn s ASP 913 CO -0.00 -1.44 0.00 0.61 0.21 0.00 0.00 175.17 174.55 2pbn n GLY 914 N -0.53 3.59 3.64 0.21 0.00 0.61 -4.72 105.19 107.99 2pbn n GLY 914 Ca 0.10 -2.17 -0.43 0.00 0.00 0.00 0.00 46.02 43.53 2pbn n GLY 914 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2pbn s TYR 915 N -0.17 1.75 -1.52 1.61 5.04 -1.26 -3.22 117.35 119.57 2pbn s TYR 915 Ca 0.00 0.23 -0.14 0.00 -2.44 0.00 0.00 57.07 54.72 2pbn s TYR 915 Cb 0.00 -4.02 0.08 0.00 0.35 0.00 0.00 41.96 38.37 2pbn s TYR 915 CO 0.00 -3.93 1.01 -1.71 -1.34 0.00 0.00 175.55 169.58 2pbn n ASN 916 N 8.41 -4.99 -3.31 4.32 2.85 -1.26 -4.92 115.26 116.35 2pbn n ASN 916 Ca 0.20 -0.76 0.03 0.00 -0.11 0.00 0.00 54.58 53.94 2pbn n ASN 916 Cb 0.44 -3.99 -0.02 0.00 1.24 0.00 0.00 39.78 37.45 2pbn n ASN 916 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2pbn s LYS 917 N -6.60 0.49 0.32 1.20 2.20 -1.20 -5.13 119.74 111.01 2pbn s LYS 917 Ca 0.66 1.01 -0.29 0.00 -0.36 0.00 0.00 55.97 57.00 2pbn s LYS 917 Cb -0.33 0.58 -0.10 0.00 -1.51 0.00 0.00 37.83 36.47 2pbn s LYS 917 CO 0.82 -0.39 1.20 0.00 -0.36 0.00 0.00 175.35 176.62 2pbn s ALA 918 N 2.84 3.42 -1.42 3.13 0.00 -1.26 -0.28 121.76 128.18 2pbn s ALA 918 Ca 0.08 1.06 -0.10 0.00 0.00 0.00 0.00 51.96 53.00 2pbn s ALA 918 Cb -0.13 -3.40 0.03 0.00 0.00 0.00 0.00 23.12 19.63 2pbn s ALA 918 CO -0.19 -0.41 1.11 1.63 0.00 0.00 0.00 175.76 177.90 2pbn n LYS 919 N 0.88 -7.15 0.24 0.00 5.02 -1.25 -4.84 118.16 111.06 2pbn n LYS 919 Ca -0.00 0.76 0.11 0.00 -2.02 0.00 0.00 58.31 57.16 2pbn n LYS 919 Cb 0.44 -5.77 0.59 0.00 -0.02 0.00 0.00 35.03 30.27 2pbn n LYS 919 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pbn h ALA 920 N 1.00 1.19 -2.46 7.82 0.00 -1.44 -3.41 119.26 121.96 2pbn h ALA 920 Ca -0.57 -0.17 -0.37 0.00 0.00 0.00 0.00 54.91 53.80 2pbn h ALA 920 Cb 1.37 -0.03 -0.16 0.00 0.00 0.00 0.00 17.79 18.97 2pbn h ALA 920 CO 0.59 0.24 -0.73 0.71 0.00 0.00 0.00 179.25 180.06 2pbn s TYR 921 N -3.98 1.35 -0.21 0.00 2.02 -0.32 -1.84 117.35 114.37 2pbn s TYR 921 Ca -0.02 -0.66 -0.02 0.00 -0.37 0.00 0.00 57.07 56.00 2pbn s TYR 921 Cb 0.12 -0.68 0.01 0.00 -0.40 0.00 0.00 41.96 41.00 2pbn s TYR 921 CO 0.62 0.14 -0.09 0.42 -1.57 0.00 0.00 175.55 175.06 2pbn s ILE 922 N -2.86 2.88 -0.23 2.71 1.01 -0.17 -0.95 121.20 123.60 2pbn s ILE 922 Ca 0.14 -0.72 -0.14 0.00 0.00 0.00 0.00 60.65 59.94 2pbn s ILE 922 Cb -0.01 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2pbn s ILE 922 CO 0.02 0.42 0.30 0.00 0.00 0.00 0.00 174.94 175.69 2pbn s ALA 923 N 1.39 3.58 0.17 9.38 0.00 0.08 -0.34 121.76 136.02 2pbn s ALA 923 Ca 0.05 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.24 2pbn s ALA 923 Cb -0.14 -2.53 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 2pbn s ALA 923 CO -0.07 -0.31 0.23 -0.08 0.00 0.00 0.00 175.76 175.53 2pbn s THR 924 N 1.32 0.06 0.67 0.00 -1.32 -0.64 -1.01 115.64 114.73 2pbn s THR 924 Ca 0.14 -1.59 -0.11 0.00 -1.21 0.00 0.00 61.69 58.92 2pbn s THR 924 Cb -0.14 -2.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.84 2pbn s THR 924 CO 0.07 -0.27 1.06 0.00 -2.21 0.00 0.00 174.62 173.26 2pbn s GLN 925 N -4.01 3.13 0.13 7.08 -2.07 -1.19 -3.71 119.66 119.02 2pbn s GLN 925 Ca 0.22 0.74 -0.31 0.00 -1.82 0.00 0.00 55.36 54.19 2pbn s GLN 925 Cb 0.04 -2.03 -0.10 0.00 -1.09 0.00 0.00 33.01 29.83 2pbn s GLN 925 CO 0.03 -0.91 1.76 0.20 -1.32 0.00 0.00 175.29 175.05 2pbn s GLY 926 N -4.08 1.38 0.61 2.60 0.00 0.25 -4.82 107.32 103.26 2pbn s GLY 926 Ca 0.57 1.41 -0.19 0.00 0.00 0.00 0.00 44.72 46.52 2pbn s GLY 926 CO 0.54 3.03 1.22 2.56 0.00 0.00 0.00 173.10 180.45 2pbn s PRO 927 N 2.42 2.89 0.28 2.90 0.04 -1.26 -4.73 135.00 137.54 2pbn s PRO 927 Ca 0.78 1.86 -0.01 0.00 0.04 0.00 0.00 61.00 63.66 2pbn s PRO 927 Cb -0.45 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2pbn s PRO 927 CO 0.35 -1.28 0.49 -0.51 0.04 0.00 0.00 177.00 176.09 2pbn s LEU 928 N -4.15 4.10 0.27 -3.56 1.43 -1.26 -2.41 118.68 113.10 2pbn s LEU 928 Ca 0.78 0.50 0.00 0.00 -1.03 0.00 0.00 54.13 54.38 2pbn s LEU 928 Cb -0.31 -3.31 0.59 0.00 0.03 0.00 0.00 46.19 43.18 2pbn s LEU 928 CO 0.34 -0.18 1.74 0.11 0.23 0.00 0.00 176.35 178.59 2pbn h LYS 929 N 1.42 0.53 0.00 1.70 1.57 -1.95 0.19 116.57 120.03 2pbn h LYS 929 Ca -0.49 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2pbn h LYS 929 Cb 1.20 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.39 2pbn h LYS 929 CO 0.65 0.35 0.00 -1.13 -0.57 0.00 0.00 179.45 178.75 2pbn n SER 930 N -4.93 0.43 -0.25 0.86 3.41 -1.26 -2.82 113.62 109.06 2pbn n SER 930 Ca 0.18 0.64 0.03 0.00 -0.26 0.00 0.00 58.87 59.46 2pbn n SER 930 Cb 0.50 -0.72 0.05 0.00 -0.26 0.00 0.00 64.21 63.78 2pbn n SER 930 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pbn n THR 931 N -2.01 0.58 -0.17 6.66 -2.24 0.59 -4.76 114.28 112.93 2pbn n THR 931 Ca 0.01 -0.79 -0.04 0.00 -2.27 0.00 0.00 64.05 60.96 2pbn n THR 931 Cb 0.13 0.75 0.06 0.00 -2.10 0.00 0.00 70.33 69.17 2pbn n THR 931 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 2pbn h PHE 932 N 0.95 0.46 -0.39 4.78 0.04 -1.22 0.13 116.94 121.68 2pbn h PHE 932 Ca 0.00 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.79 2pbn h PHE 932 Cb 0.44 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.44 2pbn h PHE 932 CO 0.06 0.22 0.26 0.93 -0.60 0.00 0.00 178.31 179.18 2pbn h GLU 933 N 0.49 0.52 -0.80 1.51 5.08 -1.86 -1.40 114.58 118.12 2pbn h GLU 933 Ca 0.23 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.59 2pbn h GLU 933 Cb 0.16 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 2pbn h GLU 933 CO -0.17 0.35 0.51 -0.44 -1.00 0.00 0.00 179.01 178.26 2pbn h ASP 934 N 0.53 0.85 0.07 1.42 3.32 -1.71 -0.89 116.42 120.01 2pbn h ASP 934 Ca 0.14 -0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 2pbn h ASP 934 Cb -0.06 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.30 2pbn h ASP 934 CO -0.03 0.58 -0.03 0.15 -1.72 0.00 0.00 179.24 178.19 2pbn h PHE 935 N 1.00 -0.09 -0.07 4.55 3.57 -0.34 0.59 116.94 126.16 2pbn h PHE 935 Ca 0.32 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 2pbn h PHE 935 Cb 0.01 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 2pbn h PHE 935 CO -0.03 0.07 -0.48 -1.49 -2.23 0.00 0.00 178.31 174.15 2pbn h TRP 936 N -0.22 0.20 -0.55 0.41 4.06 -1.11 -1.59 115.95 117.14 2pbn h TRP 936 Ca -0.01 -0.06 -0.06 0.00 2.06 0.00 0.00 58.89 60.82 2pbn h TRP 936 Cb 0.19 -0.04 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 2pbn h TRP 936 CO -0.03 0.62 0.13 -0.09 -3.56 0.00 0.00 178.44 175.51 2pbn h ARG 937 N 0.14 0.89 -0.29 0.49 2.43 -0.99 -0.17 114.38 116.87 2pbn h ARG 937 Ca 0.01 -0.22 0.03 0.00 -0.81 0.00 0.00 59.98 58.99 2pbn h ARG 937 Cb 0.90 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.31 2pbn h ARG 937 CO 0.07 0.84 0.09 1.98 -1.51 0.00 0.00 179.97 181.44 2pbn h MET 938 N 0.79 0.21 -0.60 0.20 4.05 -0.53 0.23 114.93 119.27 2pbn h MET 938 Ca 0.17 -0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.66 2pbn h MET 938 Cb 0.35 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 31.04 2pbn h MET 938 CO 0.00 0.14 0.27 0.82 0.23 0.00 0.00 176.91 178.37 2pbn h ILE 939 N 0.22 0.85 0.37 1.77 2.04 -0.81 0.78 117.51 122.72 2pbn h ILE 939 Ca 0.13 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2pbn h ILE 939 Cb 0.11 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2pbn h ILE 939 CO -0.14 0.09 -0.18 -0.25 0.00 0.00 0.00 178.15 177.67 2pbn h TRP 940 N 0.48 -0.46 -0.10 1.37 2.91 -0.59 -1.88 115.95 117.69 2pbn h TRP 940 Ca 0.29 -0.01 -0.05 0.00 1.13 0.00 0.00 58.89 60.25 2pbn h TRP 940 Cb 0.30 0.15 -0.01 0.00 -0.51 0.00 0.00 29.16 29.09 2pbn h TRP 940 CO -0.13 -0.18 -0.17 0.93 -1.03 0.00 0.00 178.44 177.86 2pbn h GLU 941 N -0.67 0.16 -0.01 2.65 5.08 -0.33 -2.35 114.58 119.10 2pbn h GLU 941 Ca -0.05 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2pbn h GLU 941 Cb 0.48 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2pbn h GLU 941 CO 0.08 0.33 -0.11 1.04 -1.00 0.00 0.00 179.01 179.35 2pbn n GLN 942 N -4.27 1.44 -3.29 2.33 1.13 0.25 -4.94 117.38 110.02 2pbn n GLN 942 Ca -0.01 -0.91 -0.23 0.00 -1.94 0.00 0.00 57.00 53.90 2pbn n GLN 942 Cb 0.28 -1.48 0.05 0.00 0.11 0.00 0.00 30.24 29.20 2pbn n GLN 942 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2pbn n ASN 943 N 0.02 -6.10 -4.73 1.08 5.15 -0.89 -4.10 115.26 105.68 2pbn n ASN 943 Ca 0.16 -0.41 -0.41 0.00 -0.60 0.00 0.00 54.58 53.32 2pbn n ASN 943 Cb 0.39 -4.88 -0.03 0.00 -0.53 0.00 0.00 39.78 34.72 2pbn n ASN 943 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2pbn s THR 944 N -3.23 3.76 -0.25 -0.44 2.01 -0.75 -1.00 115.64 115.75 2pbn s THR 944 Ca 0.43 1.44 0.08 0.00 0.31 0.00 0.00 61.69 63.94 2pbn s THR 944 Cb -0.19 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 2pbn s THR 944 CO 0.53 0.21 0.28 0.61 -0.69 0.00 0.00 174.62 175.56 2pbn n GLY 945 N 2.39 0.08 3.05 4.40 0.00 -1.26 -4.85 105.19 108.99 2pbn n GLY 945 Ca 0.05 -0.21 -0.23 0.00 0.00 0.00 0.00 46.02 45.63 2pbn n GLY 945 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pbn s ILE 946 N -1.98 1.09 -0.11 -0.61 -1.09 -1.26 -1.57 121.20 115.67 2pbn s ILE 946 Ca 0.01 -0.51 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2pbn s ILE 946 Cb 0.06 -0.96 -0.01 0.00 -1.58 0.00 0.00 42.46 39.96 2pbn s ILE 946 CO 0.32 0.33 -0.16 -0.63 -1.23 0.00 0.00 174.94 173.57 2pbn s ILE 947 N 0.28 2.80 -0.26 2.92 1.01 0.11 -1.60 121.20 126.46 2pbn s ILE 947 Ca -0.06 -0.76 -0.05 0.00 0.00 0.00 0.00 60.65 59.77 2pbn s ILE 947 Cb -0.12 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2pbn s ILE 947 CO 0.02 0.54 0.03 -0.69 0.00 0.00 0.00 174.94 174.84 2pbn s VAL 948 N 0.19 3.71 -0.16 2.92 1.01 0.16 -0.31 120.40 127.94 2pbn s VAL 948 Ca -0.10 -0.61 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 2pbn s VAL 948 Cb -0.16 -2.83 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2pbn s VAL 948 CO 0.06 0.23 -0.14 -0.32 0.00 0.00 0.00 175.10 174.92 2pbn s MET 949 N 1.49 3.26 -0.47 2.72 0.00 0.45 -0.62 119.30 126.13 2pbn s MET 949 Ca 0.04 -0.72 0.07 0.00 0.00 0.00 0.00 55.69 55.07 2pbn s MET 949 Cb -0.16 -2.66 0.39 0.00 0.00 0.00 0.00 34.83 32.40 2pbn s MET 949 CO 0.00 0.03 1.00 -0.89 0.00 0.00 0.00 175.02 175.16 2pbn n ILE 950 N 4.03 2.21 -3.45 10.11 5.41 -0.22 -0.29 119.36 137.17 2pbn n ILE 950 Ca -0.19 -4.91 -0.13 0.00 1.00 0.00 0.00 62.75 58.52 2pbn n ILE 950 Cb 0.52 -0.99 -0.03 0.00 -0.71 0.00 0.00 39.64 38.43 2pbn n ILE 950 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2pbn s THR 951 N -4.58 0.00 0.40 1.39 -1.32 -1.24 -4.70 115.64 105.58 2pbn s THR 951 Ca 0.45 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.94 2pbn s THR 951 Cb 0.36 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.34 2pbn s THR 951 CO -0.13 0.00 0.61 0.20 -2.21 0.00 0.00 174.62 173.08 2pbn s ASN 952 N -2.41 5.98 0.13 8.08 0.01 -1.26 -4.81 114.94 120.66 2pbn s ASN 952 Ca -0.01 0.26 -0.16 0.00 -0.71 0.00 0.00 52.86 52.24 2pbn s ASN 952 Cb -0.01 -1.62 -0.01 0.00 0.41 0.00 0.00 41.25 40.02 2pbn s ASN 952 CO -0.08 -0.55 1.68 -0.07 -1.51 0.00 0.00 177.10 176.58 2pbn h LEU 953 N 0.57 0.54 -8.02 0.60 3.38 -1.95 -3.39 115.31 107.04 2pbn h LEU 953 Ca -0.47 -0.16 -0.50 0.00 0.09 0.00 0.00 57.88 56.84 2pbn h LEU 953 Cb 1.24 -0.14 -0.32 0.00 0.09 0.00 0.00 40.66 41.53 2pbn h LEU 953 CO 0.58 0.56 -0.81 -0.69 0.09 0.00 0.00 178.44 178.16 2pbn s VAL 954 N -5.57 1.07 -0.12 1.22 1.01 -1.26 0.24 120.40 116.99 2pbn s VAL 954 Ca -0.13 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2pbn s VAL 954 Cb 0.10 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.55 2pbn s VAL 954 CO 0.75 0.33 -0.06 -1.61 0.00 0.00 0.00 175.10 174.51 2pbn s GLU 955 N 0.43 1.38 -1.45 2.72 2.02 -0.19 -4.80 118.70 118.81 2pbn s GLU 955 Ca -0.09 -0.28 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 2pbn s GLU 955 Cb -0.13 -1.64 0.01 0.00 0.10 0.00 0.00 34.13 32.47 2pbn s GLU 955 CO 0.02 -0.32 0.37 1.17 0.02 0.00 0.00 175.26 176.52 2pbn n LYS 956 N 4.95 -2.90 -0.96 1.61 3.00 -1.26 -1.51 118.16 121.09 2pbn n LYS 956 Ca -0.12 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 2pbn n LYS 956 Cb 0.49 -4.41 0.00 0.00 0.00 0.00 0.00 35.03 31.12 2pbn n LYS 956 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2pbn n GLY 957 N -2.05 0.92 3.56 3.14 0.00 -1.26 -5.01 105.19 104.49 2pbn n GLY 957 Ca -0.29 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 2pbn n GLY 957 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pbn s ARG 958 N -0.08 3.85 0.02 1.61 0.52 -0.57 -5.07 118.95 119.24 2pbn s ARG 958 Ca 0.00 -0.39 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 2pbn s ARG 958 Cb 0.00 -3.30 -0.06 0.00 0.52 0.00 0.00 34.95 32.11 2pbn s ARG 958 CO 0.00 0.06 1.44 0.50 0.02 0.00 0.00 175.30 177.32 2pbn s ARG 959 N 0.97 4.27 -0.07 3.54 6.06 -1.26 -1.02 118.95 131.45 2pbn s ARG 959 Ca 0.04 2.04 0.10 0.00 -2.50 0.00 0.00 55.73 55.41 2pbn s ARG 959 Cb -0.14 -3.54 -0.15 0.00 0.06 0.00 0.00 34.95 31.18 2pbn s ARG 959 CO 0.03 -0.59 0.12 1.63 -2.50 0.00 0.00 175.30 174.00 2pbn n LYS 960 N 5.26 1.50 -3.56 5.12 4.76 0.14 -4.95 118.16 126.42 2pbn n LYS 960 Ca 0.13 -0.04 -0.14 0.00 -2.87 0.00 0.00 58.31 55.39 2pbn n LYS 960 Cb 0.43 -1.26 -0.06 0.00 -1.84 0.00 0.00 35.03 32.30 2pbn n LYS 960 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pbn s ASP 962 N -0.85 6.44 -0.59 0.00 1.01 -1.01 -4.59 116.67 117.08 2pbn s ASP 962 Ca -0.05 0.50 -0.28 0.00 0.71 0.00 0.00 52.55 53.43 2pbn s ASP 962 Cb -0.01 -2.05 0.03 0.00 1.01 0.00 0.00 42.92 41.89 2pbn s ASP 962 CO 0.05 0.03 1.27 -1.58 0.21 0.00 0.00 175.17 175.14 2pbn s GLN 963 N -2.88 3.42 0.00 8.23 0.74 -1.26 -4.72 119.66 123.18 2pbn s GLN 963 Ca 0.40 0.25 0.18 0.00 0.05 0.00 0.00 55.36 56.23 2pbn s GLN 963 Cb -0.12 -4.07 0.50 0.00 1.10 0.00 0.00 33.01 30.43 2pbn s GLN 963 CO 0.27 -1.81 1.42 2.48 -0.55 0.00 0.00 175.29 177.09 2pbn n TYR 964 N 8.88 0.72 -4.17 1.67 0.18 -1.26 -4.92 117.16 118.26 2pbn n TYR 964 Ca 0.09 -0.36 -0.15 0.00 1.88 0.00 0.00 57.90 59.36 2pbn n TYR 964 Cb 0.49 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.34 2pbn n TYR 964 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2pbn s TRP 965 N -1.28 1.07 0.07 -3.48 -2.14 -1.26 -5.06 118.94 106.86 2pbn s TRP 965 Ca 0.37 -0.59 -0.31 0.00 2.66 0.00 0.00 56.10 58.23 2pbn s TRP 965 Cb 0.20 -0.59 -0.07 0.00 -3.10 0.00 0.00 33.47 29.90 2pbn s TRP 965 CO 0.26 0.01 1.37 -1.25 -2.66 0.00 0.00 176.95 174.68 2pbn s PRO 966 N -2.45 4.32 0.27 3.25 0.04 -1.26 -4.91 135.00 134.27 2pbn s PRO 966 Ca 0.03 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 2pbn s PRO 966 Cb -0.05 -3.36 0.36 0.00 0.04 0.00 0.00 34.50 31.49 2pbn s PRO 966 CO 0.01 -0.45 1.94 1.15 0.04 0.00 0.00 177.00 179.69 2pbn h THR 967 N 4.48 1.22 -3.18 1.26 2.02 -1.97 -3.45 112.91 113.30 2pbn h THR 967 Ca -0.41 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.33 2pbn h THR 967 Cb 1.20 -0.12 -0.10 0.00 -1.74 0.00 0.00 68.15 67.39 2pbn h THR 967 CO 0.87 0.23 0.10 -1.83 0.37 0.00 0.00 175.52 175.25 2pbn s GLU 968 N -6.02 1.36 5.07 6.66 -1.05 -1.26 -5.05 118.70 118.41 2pbn s GLU 968 Ca -0.12 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 2pbn s GLU 968 Cb 0.18 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.42 2pbn s GLU 968 CO 0.81 -0.59 0.00 0.09 0.95 0.00 0.00 175.26 176.52 2pbn n ASN 969 N -0.35 0.00 -4.42 0.83 3.02 -1.26 -4.79 115.26 108.29 2pbn n ASN 969 Ca -0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.15 2pbn n ASN 969 Cb 0.63 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.68 2pbn n ASN 969 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2pbn s SER 970 N -4.00 3.42 0.03 6.41 0.01 -1.26 -1.60 113.70 116.71 2pbn s SER 970 Ca 0.00 -0.82 0.02 0.00 1.31 0.00 0.00 55.95 56.46 2pbn s SER 970 Cb 0.00 -0.26 -0.02 0.00 0.21 0.00 0.00 66.02 65.96 2pbn s SER 970 CO 0.00 0.14 -0.07 -0.70 0.41 0.00 0.00 173.24 173.02 2pbn s GLU 971 N -2.46 0.48 -0.19 12.44 2.56 -0.51 -4.97 118.70 126.04 2pbn s GLU 971 Ca 0.19 -0.56 -0.07 0.00 0.00 0.00 0.00 54.97 54.52 2pbn s GLU 971 Cb -0.09 -0.31 -0.04 0.00 2.00 0.00 0.00 34.13 35.69 2pbn s GLU 971 CO 0.09 0.07 0.06 -2.00 -0.56 0.00 0.00 175.26 172.91 2pbn s GLU 972 N -1.09 3.92 -0.43 4.30 2.12 -1.26 -0.96 118.70 125.29 2pbn s GLU 972 Ca -0.06 -0.37 0.03 0.00 0.36 0.00 0.00 54.97 54.93 2pbn s GLU 972 Cb -0.07 -3.21 0.12 0.00 0.26 0.00 0.00 34.13 31.23 2pbn s GLU 972 CO 0.00 0.22 0.18 0.71 -0.54 0.00 0.00 175.26 175.83 2pbn s TYR 973 N 0.51 3.02 0.00 5.30 2.02 0.54 -4.99 117.35 123.75 2pbn s TYR 973 Ca 0.03 -2.86 0.00 0.00 -0.37 0.00 0.00 57.07 53.87 2pbn s TYR 973 Cb -0.13 -2.59 0.00 0.00 -0.40 0.00 0.00 41.96 38.84 2pbn s TYR 973 CO 0.01 -0.83 0.00 0.41 -1.57 0.00 0.00 175.55 173.57 2pbn n GLY 974 N 3.70 3.66 0.92 0.71 0.00 -1.26 -1.85 105.19 111.07 2pbn n GLY 974 Ca 0.05 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 46.10 2pbn n GLY 974 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2pbn n ASN 975 N 7.90 2.68 -4.38 1.61 3.02 -1.26 -4.85 115.26 119.98 2pbn n ASN 975 Ca 0.00 -2.00 -0.36 0.00 -0.03 0.00 0.00 54.58 52.20 2pbn n ASN 975 Cb 0.00 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.71 2pbn n ASN 975 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pbn s ILE 976 N -1.34 3.79 -0.23 2.41 -1.09 -0.77 -0.13 121.20 123.83 2pbn s ILE 976 Ca 0.34 -0.35 -0.09 0.00 -2.23 0.00 0.00 60.65 58.32 2pbn s ILE 976 Cb 0.18 -2.74 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2pbn s ILE 976 CO 0.23 0.39 0.11 -0.63 -1.23 0.00 0.00 174.94 173.81 2pbn s ILE 977 N 1.48 4.87 -0.18 2.92 1.01 0.71 -0.34 121.20 131.67 2pbn s ILE 977 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 60.65 60.69 2pbn s ILE 977 Cb -0.15 -3.26 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2pbn s ILE 977 CO -0.00 0.36 -0.06 -0.69 0.00 0.00 0.00 174.94 174.55 2pbn s VAL 978 N 1.15 3.46 -0.15 2.92 1.01 -0.14 -0.72 120.40 127.92 2pbn s VAL 978 Ca 0.06 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.55 2pbn s VAL 978 Cb -0.14 -2.53 -0.00 0.00 0.00 0.00 0.00 36.38 33.71 2pbn s VAL 978 CO 0.04 0.47 -0.15 -0.89 0.00 0.00 0.00 175.10 174.57 2pbn s THR 979 N 0.85 2.68 -0.07 3.92 2.01 0.42 -1.43 115.64 124.02 2pbn s THR 979 Ca -0.02 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 60.92 2pbn s THR 979 Cb -0.15 -2.13 -0.03 0.00 0.01 0.00 0.00 72.50 70.21 2pbn s THR 979 CO 0.01 0.52 1.26 -0.22 -0.69 0.00 0.00 174.62 175.50 2pbn s LEU 980 N 0.76 4.26 -0.20 4.42 2.96 -0.62 -1.04 118.68 129.22 2pbn s LEU 980 Ca -0.06 1.85 0.03 0.00 -0.22 0.00 0.00 54.13 55.72 2pbn s LEU 980 Cb -0.15 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 42.84 2pbn s LEU 980 CO 0.01 -0.66 -0.16 0.29 -1.32 0.00 0.00 176.35 174.51 2pbn n LYS 981 N 5.63 0.58 -3.53 1.98 4.76 0.33 -4.70 118.16 123.20 2pbn n LYS 981 Ca 0.12 0.11 -0.14 0.00 -2.87 0.00 0.00 58.31 55.53 2pbn n LYS 981 Cb 0.45 -1.41 -0.04 0.00 -1.84 0.00 0.00 35.03 32.19 2pbn n LYS 981 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2pbn s SER 982 N -5.89 -0.49 -0.04 4.39 1.04 -1.09 -4.98 113.70 106.64 2pbn s SER 982 Ca -0.26 0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.34 2pbn s SER 982 Cb 0.07 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.74 2pbn s SER 982 CO 0.49 -0.78 0.02 -0.89 0.98 0.00 0.00 173.24 173.06 2pbn s THR 983 N -2.70 0.10 -0.14 2.02 2.01 -1.26 -0.96 115.64 114.71 2pbn s THR 983 Ca -0.04 0.20 0.02 0.00 0.31 0.00 0.00 61.69 62.18 2pbn s THR 983 Cb -0.00 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.27 2pbn s THR 983 CO -0.04 0.16 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.31 2pbn s LYS 984 N 1.46 2.85 -0.23 4.92 1.02 0.17 -4.98 119.74 124.97 2pbn s LYS 984 Ca -0.04 -0.79 -0.08 0.00 0.02 0.00 0.00 55.97 55.08 2pbn s LYS 984 Cb -0.13 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 2pbn s LYS 984 CO -0.03 -0.05 0.09 0.42 -0.92 0.00 0.00 175.35 174.86 2pbn s ILE 985 N 0.91 4.72 0.45 2.17 -1.09 -1.26 -0.74 121.20 126.36 2pbn s ILE 985 Ca -0.05 -0.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.38 2pbn s ILE 985 Cb -0.15 -3.18 -0.03 0.00 -1.58 0.00 0.00 42.46 37.51 2pbn s ILE 985 CO -0.03 0.37 0.18 -1.00 -1.23 0.00 0.00 174.94 173.23 2pbn s HIS 986 N 1.14 2.33 0.19 3.97 3.76 0.55 -5.02 115.29 122.21 2pbn s HIS 986 Ca 0.05 -0.69 -0.11 0.00 -0.15 0.00 0.00 55.06 54.17 2pbn s HIS 986 Cb -0.14 -1.90 0.12 0.00 1.11 0.00 0.00 32.58 31.78 2pbn s HIS 986 CO 0.04 0.09 1.80 0.00 -0.85 0.00 0.00 174.74 175.82 2pbn h ALA 987 N 1.32 0.90 -0.00 -1.40 0.00 -2.02 -3.25 119.26 114.80 2pbn h ALA 987 Ca -0.42 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2pbn h ALA 987 Cb 1.27 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2pbn h ALA 987 CO 0.69 0.43 -0.38 0.00 0.00 0.00 0.00 179.25 180.00 2pbn s TYR 989 N -1.75 -0.12 0.03 0.00 1.13 -1.23 -1.03 117.35 114.39 2pbn s TYR 989 Ca 0.06 -0.24 0.05 0.00 -1.41 0.00 0.00 57.07 55.54 2pbn s TYR 989 Cb 0.08 0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 41.36 2pbn s TYR 989 CO 0.36 -0.97 -0.16 0.99 -2.51 0.00 0.00 175.55 173.26 2pbn s THR 990 N -3.89 1.29 -0.18 -3.49 2.01 0.67 -0.33 115.64 111.72 2pbn s THR 990 Ca 0.10 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.14 2pbn s THR 990 Cb -0.02 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.37 2pbn s THR 990 CO -0.01 0.15 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.23 2pbn s VAL 991 N -0.70 2.55 -0.14 3.82 1.01 0.08 0.22 120.40 127.23 2pbn s VAL 991 Ca 0.04 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.24 2pbn s VAL 991 Cb -0.08 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.21 2pbn s VAL 991 CO 0.01 0.51 -0.16 -0.13 0.00 0.00 0.00 175.10 175.33 2pbn s ARG 992 N 1.12 3.22 -0.18 2.72 0.52 0.20 -0.65 118.95 125.90 2pbn s ARG 992 Ca 0.01 -0.75 -0.08 0.00 -0.52 0.00 0.00 55.73 54.38 2pbn s ARG 992 Cb -0.14 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.69 2pbn s ARG 992 CO -0.05 0.06 0.10 0.50 0.02 0.00 0.00 175.30 175.93 2pbn s ARG 993 N 0.69 4.01 0.14 3.54 3.52 -0.13 -0.30 118.95 130.43 2pbn s ARG 993 Ca -0.08 -0.27 0.11 0.00 -0.13 0.00 0.00 55.73 55.36 2pbn s ARG 993 Cb -0.16 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2pbn s ARG 993 CO 0.02 0.34 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.52 2pbn s PHE 994 N 0.22 2.28 -0.18 5.12 0.08 0.85 -0.52 117.98 125.83 2pbn s PHE 994 Ca 0.07 -0.38 -0.07 0.00 0.12 0.00 0.00 56.93 56.67 2pbn s PHE 994 Cb -0.12 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 2pbn s PHE 994 CO -0.01 0.37 0.05 0.45 -0.10 0.00 0.00 175.22 175.99 2pbn s SER 995 N -2.19 5.58 0.00 1.36 0.15 -0.20 -1.36 113.70 117.03 2pbn s SER 995 Ca 0.15 0.08 0.07 0.00 0.70 0.00 0.00 55.95 56.95 2pbn s SER 995 Cb -0.09 -1.94 -0.03 0.00 -1.71 0.00 0.00 66.02 62.25 2pbn s SER 995 CO 0.07 0.19 -0.22 0.27 1.20 0.00 0.00 173.24 174.74 2pbn s ILE 996 N 0.29 2.43 -0.07 6.45 -4.36 0.31 -0.44 121.20 125.81 2pbn s ILE 996 Ca 0.03 -1.11 0.02 0.00 -0.26 0.00 0.00 60.65 59.34 2pbn s ILE 996 Cb -0.12 -1.92 0.01 0.00 1.25 0.00 0.00 42.46 41.67 2pbn s ILE 996 CO 0.00 0.49 -0.14 -0.60 0.24 0.00 0.00 174.94 174.93 2pbn s ARG 997 N -0.94 1.95 -0.38 0.37 3.52 0.10 0.02 118.95 123.59 2pbn s ARG 997 Ca 0.12 -0.50 -0.21 0.00 -0.13 0.00 0.00 55.73 55.01 2pbn s ARG 997 Cb -0.10 -1.59 0.01 0.00 -1.56 0.00 0.00 34.95 31.71 2pbn s ARG 997 CO 0.01 0.04 0.64 1.21 -0.81 0.00 0.00 175.30 176.40 2pbn s ASN 998 N 0.64 6.40 0.02 -2.12 3.84 -0.98 -0.21 114.94 122.52 2pbn s ASN 998 Ca -0.15 0.00 0.10 0.00 0.21 0.00 0.00 52.86 53.03 2pbn s ASN 998 Cb -0.16 -2.33 0.45 0.00 -0.55 0.00 0.00 41.25 38.66 2pbn s ASN 998 CO 0.04 -0.65 1.33 0.35 -2.79 0.00 0.00 177.10 175.38 2pbn n THR 999 N 5.68 1.31 0.24 -5.21 -2.24 0.81 -1.98 114.28 112.89 2pbn n THR 999 Ca -0.01 0.34 0.09 0.00 -2.27 0.00 0.00 64.05 62.19 2pbn n THR 999 Cb 0.48 -1.18 0.15 0.00 -2.10 0.00 0.00 70.33 67.69 2pbn n THR 999 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2pbn n LYS 1000N -1.54 2.06 0.00 -0.78 4.76 -1.26 -5.14 118.16 116.25 2pbn n LYS 1000Ca 0.02 -1.91 0.00 0.00 -2.87 0.00 0.00 58.31 53.55 2pbn n LYS 1000Cb 0.12 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 31.94 2pbn n LYS 1000CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2pbn n VAL 1001N 1.01 0.00 0.09 -0.18 0.31 -0.84 -5.27 118.33 113.45 2pbn n VAL 1001Ca 0.14 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.47 2pbn n VAL 1001Cb 0.47 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.40 2pbn n VAL 1001CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2pbn n ASN 1014N 0.00 -1.20 -4.19 4.52 5.15 -1.26 -4.95 115.26 113.33 2pbn n ASN 1014Ca 0.00 0.34 -0.24 0.00 -0.60 0.00 0.00 54.58 54.07 2pbn n ASN 1014Cb 0.00 1.32 -0.15 0.00 -0.53 0.00 0.00 39.78 40.43 2pbn n ASN 1014CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2pbn s GLU 1015N -2.00 1.35 0.05 1.20 2.02 -1.26 -2.32 118.70 117.74 2pbn s GLU 1015Ca 0.00 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.25 2pbn s GLU 1015Cb 0.00 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.84 2pbn s GLU 1015CO 0.00 0.36 -0.04 1.03 0.02 0.00 0.00 175.26 176.63 2pbn s ARG 1016N -0.75 0.58 -0.05 1.61 0.52 0.10 -4.95 118.95 116.00 2pbn s ARG 1016Ca 0.06 -1.04 -0.19 0.00 -0.52 0.00 0.00 55.73 54.05 2pbn s ARG 1016Cb -0.08 0.03 -0.05 0.00 0.52 0.00 0.00 34.95 35.37 2pbn s ARG 1016CO 0.00 -0.05 0.53 0.08 0.02 0.00 0.00 175.30 175.88 2pbn s VAL 1017N -2.92 5.03 -0.08 3.52 1.01 -1.26 -0.53 120.40 125.18 2pbn s VAL 1017Ca 0.00 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.09 2pbn s VAL 1017Cb 0.01 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.54 2pbn s VAL 1017CO -0.05 0.40 -0.12 -0.69 0.00 0.00 0.00 175.10 174.63 2pbn s VAL 1018N 0.03 1.19 -0.16 2.92 1.01 -0.47 -4.71 120.40 120.21 2pbn s VAL 1018Ca 0.28 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 2pbn s VAL 1018Cb -0.17 -1.10 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2pbn s VAL 1018CO 0.14 0.37 -0.06 -0.63 0.00 0.00 0.00 175.10 174.92 2pbn s ILE 1019N 0.88 3.58 -0.23 2.22 1.01 -0.61 -0.11 121.20 127.94 2pbn s ILE 1019Ca -0.10 -0.46 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 2pbn s ILE 1019Cb -0.15 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 2pbn s ILE 1019CO 0.01 0.49 0.05 -1.58 0.00 0.00 0.00 174.94 173.91 2pbn s GLN 1020N 0.51 3.63 -0.41 2.79 0.74 0.59 -0.71 119.66 126.81 2pbn s GLN 1020Ca -0.05 -0.49 -0.16 0.00 0.05 0.00 0.00 55.36 54.71 2pbn s GLN 1020Cb -0.15 -3.25 0.02 0.00 1.10 0.00 0.00 33.01 30.73 2pbn s GLN 1020CO 0.03 -0.13 0.38 0.71 -0.55 0.00 0.00 175.29 175.72 2pbn s TYR 1021N 1.44 3.20 -0.33 1.67 1.51 0.58 -0.63 117.35 124.79 2pbn s TYR 1021Ca 0.05 -0.42 -0.05 0.00 -1.01 0.00 0.00 57.07 55.64 2pbn s TYR 1021Cb -0.15 -2.76 0.04 0.00 -0.11 0.00 0.00 41.96 38.99 2pbn s TYR 1021CO 0.02 -0.63 0.08 -1.58 -1.11 0.00 0.00 175.55 172.33 2pbn s HIS 1022N 1.95 3.26 -0.12 2.71 2.46 0.13 -0.41 115.29 125.27 2pbn s HIS 1022Ca 0.09 -1.56 -0.24 0.00 0.47 0.00 0.00 55.06 53.81 2pbn s HIS 1022Cb -0.18 -2.25 -0.02 0.00 -0.13 0.00 0.00 32.58 30.00 2pbn s HIS 1022CO 0.12 -0.75 0.77 -0.47 -2.47 0.00 0.00 174.74 171.94 2pbn s TYR 1023N 1.36 3.49 -0.53 3.88 6.14 0.60 -0.24 117.35 132.04 2pbn s TYR 1023Ca -0.03 1.24 0.05 0.00 0.64 0.00 0.00 57.07 58.98 2pbn s TYR 1023Cb -0.20 -2.92 0.02 0.00 0.42 0.00 0.00 41.96 39.28 2pbn s TYR 1023CO 0.02 -0.10 0.54 0.25 0.64 0.00 0.00 175.55 176.89 2pbn n THR 1024N 4.33 0.00 -0.84 4.34 -2.24 -0.19 -3.69 114.28 115.98 2pbn n THR 1024Ca 0.02 -0.47 0.08 0.00 -2.27 0.00 0.00 64.05 61.41 2pbn n THR 1024Cb 0.50 1.08 0.17 0.00 -2.10 0.00 0.00 70.33 69.97 2pbn n THR 1024CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2pbn n GLN 1025N -0.09 2.19 -2.06 -0.78 1.13 -1.20 -4.90 117.38 111.66 2pbn n GLN 1025Ca 0.02 -2.50 -0.42 0.00 -1.94 0.00 0.00 57.00 52.17 2pbn n GLN 1025Cb 0.11 -1.54 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 2pbn n GLN 1025CO 0.00 0.00 0.00 -0.46 -1.44 0.00 0.00 177.06 175.16 2pbn s TRP 1026N -2.48 3.16 0.69 1.08 -0.11 -1.26 -4.95 118.94 115.06 2pbn s TRP 1026Ca 0.31 0.81 -0.16 0.00 1.22 0.00 0.00 56.10 58.28 2pbn s TRP 1026Cb 0.25 -3.79 0.02 0.00 -1.50 0.00 0.00 33.47 28.45 2pbn s TRP 1026CO 0.06 -2.85 1.21 -1.25 -4.62 0.00 0.00 176.95 169.50 2pbn s PRO 1027N 1.08 2.40 0.44 5.86 0.04 -1.26 -4.91 135.00 138.65 2pbn s PRO 1027Ca 0.67 1.78 0.18 0.00 0.04 0.00 0.00 61.00 63.67 2pbn s PRO 1027Cb -0.40 -1.86 1.04 0.00 0.04 0.00 0.00 34.50 33.32 2pbn s PRO 1027CO 0.31 -1.64 1.96 -0.44 0.04 0.00 0.00 177.00 177.23 2pbn h ASP 1028N 0.06 0.00 -4.23 6.66 3.45 -1.98 -3.42 116.42 116.96 2pbn h ASP 1028Ca -0.49 0.00 -0.47 0.00 0.43 0.00 0.00 57.03 56.50 2pbn h ASP 1028Cb 1.30 0.00 -0.28 0.00 -0.56 0.00 0.00 39.33 39.79 2pbn h ASP 1028CO 0.51 0.22 -0.81 -0.04 -1.57 0.00 0.00 179.24 177.56 2pbn s MET 1029N -4.35 1.07 2.40 3.56 -1.94 -1.26 -4.99 119.30 113.79 2pbn s MET 1029Ca -0.03 -0.58 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 2pbn s MET 1029Cb 0.14 -1.06 0.00 0.00 2.01 0.00 0.00 34.83 35.93 2pbn s MET 1029CO 0.67 0.28 0.00 0.41 -0.01 0.00 0.00 175.02 176.37 2pbn n GLY 1030N 2.47 -0.59 3.71 -0.03 0.00 -1.26 -4.92 105.19 104.57 2pbn n GLY 1030Ca -0.15 -1.13 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 2pbn n GLY 1030CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2pbn s VAL 1031N 0.00 3.44 0.44 1.61 -7.23 -1.26 -4.66 120.40 112.74 2pbn s VAL 1031Ca 0.00 -1.73 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 2pbn s VAL 1031Cb 0.00 -2.99 -0.09 0.00 0.56 0.00 0.00 36.38 33.85 2pbn s VAL 1031CO 0.00 -0.29 1.28 -2.65 -0.31 0.00 0.00 175.10 173.13 2pbn n PRO 1032N -1.06 1.91 -0.17 4.82 -0.02 -1.26 -4.83 135.00 134.38 2pbn n PRO 1032Ca -0.05 0.68 -0.07 0.00 -2.02 0.00 0.00 63.50 62.04 2pbn n PRO 1032Cb 0.60 -2.41 0.09 0.00 -0.02 0.00 0.00 33.50 31.75 2pbn n PRO 1032CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2pbn h GLU 1033N 2.00 0.96 -5.29 -0.52 4.81 -1.98 -3.42 114.58 111.14 2pbn h GLU 1033Ca -0.48 -0.27 -0.67 0.00 -0.13 0.00 0.00 59.36 57.80 2pbn h GLU 1033Cb 1.30 -0.10 -0.31 0.00 0.63 0.00 0.00 28.75 30.26 2pbn h GLU 1033CO 0.59 0.93 -0.83 0.71 -0.73 0.00 0.00 179.01 179.68 2pbn s TYR 1034N -5.04 2.69 0.13 0.92 2.02 -1.26 -5.03 117.35 111.77 2pbn s TYR 1034Ca -0.11 -0.96 0.15 0.00 -0.37 0.00 0.00 57.07 55.78 2pbn s TYR 1034Cb 0.14 -1.79 0.39 0.00 -0.40 0.00 0.00 41.96 40.30 2pbn s TYR 1034CO 0.84 -0.39 1.60 0.00 -1.57 0.00 0.00 175.55 176.03 2pbn h ALA 1035N 6.89 0.85 -0.37 3.71 0.00 -1.94 -3.37 119.26 125.04 2pbn h ALA 1035Ca -0.25 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.26 2pbn h ALA 1035Cb 1.22 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.84 2pbn h ALA 1035CO 0.52 0.66 -0.32 1.25 0.00 0.00 0.00 179.25 181.36 2pbn h LEU 1036N 0.00 -1.04 -1.66 0.00 5.85 -1.95 0.47 115.31 116.97 2pbn h LEU 1036Ca -0.01 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 2pbn h LEU 1036Cb 1.13 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 2pbn h LEU 1036CO 0.07 -0.32 0.01 1.55 -0.34 0.00 0.00 178.44 179.41 2pbn h PRO 1037N -0.26 0.22 -0.22 5.25 0.13 -2.01 -1.13 132.00 133.98 2pbn h PRO 1037Ca 0.17 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.21 2pbn h PRO 1037Cb 0.53 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 2pbn h PRO 1037CO -0.51 0.24 -0.07 0.28 -0.23 0.00 0.00 178.00 177.71 2pbn h VAL 1038N 0.22 1.29 -0.66 1.56 2.07 -1.35 -1.60 116.25 117.79 2pbn h VAL 1038Ca 0.05 -1.08 0.11 0.00 0.82 0.00 0.00 66.70 66.60 2pbn h VAL 1038Cb 0.14 1.55 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 2pbn h VAL 1038CO 0.00 0.33 0.26 -0.07 0.02 0.00 0.00 177.57 178.11 2pbn h LEU 1039N 0.16 0.25 -0.22 2.57 3.38 -0.47 0.20 115.31 121.18 2pbn h LEU 1039Ca 0.05 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2pbn h LEU 1039Cb 0.54 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2pbn h LEU 1039CO 0.02 0.13 0.14 0.74 0.09 0.00 0.00 178.44 179.56 2pbn h THR 1040N 0.43 1.07 -0.19 0.22 2.02 -1.15 0.19 112.91 115.51 2pbn h THR 1040Ca 0.34 -0.16 0.02 0.00 0.77 0.00 0.00 66.41 67.38 2pbn h THR 1040Cb 0.46 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2pbn h THR 1040CO -0.34 0.07 0.06 0.15 0.37 0.00 0.00 175.52 175.84 2pbn h PHE 1041N 0.28 0.12 -0.23 3.16 3.57 -0.74 -0.41 116.94 122.68 2pbn h PHE 1041Ca 0.08 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.62 2pbn h PHE 1041Cb -0.00 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 2pbn h PHE 1041CO -0.05 0.06 0.02 0.28 -2.23 0.00 0.00 178.31 176.39 2pbn h VAL 1042N 0.16 0.86 -0.41 1.41 2.07 -0.30 -0.79 116.25 119.25 2pbn h VAL 1042Ca 0.08 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.58 2pbn h VAL 1042Cb 0.05 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 2pbn h VAL 1042CO -0.08 0.02 0.26 0.03 0.02 0.00 0.00 177.57 177.81 2pbn h ARG 1043N 0.10 0.51 -0.15 1.57 3.08 -0.19 0.24 114.38 119.54 2pbn h ARG 1043Ca 0.11 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.95 2pbn h ARG 1043Cb 0.12 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.07 2pbn h ARG 1043CO -0.17 0.34 -0.58 0.00 -1.07 0.00 0.00 179.97 178.49 2pbn h ARG 1044N 0.53 0.66 -0.26 0.04 3.08 -1.03 -0.74 114.38 116.65 2pbn h ARG 1044Ca 0.16 -0.51 -0.11 0.00 0.07 0.00 0.00 59.98 59.58 2pbn h ARG 1044Cb -0.03 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2pbn h ARG 1044CO -0.05 1.13 -0.31 0.66 -1.07 0.00 0.00 179.97 180.32 2pbn h SER 1045N 0.33 0.56 -0.35 7.04 4.64 -1.06 -2.61 113.55 122.11 2pbn h SER 1045Ca -0.03 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 2pbn h SER 1045Cb 1.22 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2pbn h SER 1045CO 0.12 0.84 0.04 -1.28 -0.87 0.00 0.00 176.83 175.69 2pbn h SER 1046N 0.47 0.57 0.24 4.97 0.87 -0.86 -3.01 113.55 116.79 2pbn h SER 1046Ca 0.06 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2pbn h SER 1046Cb 0.78 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2pbn h SER 1046CO 0.06 0.70 -0.02 0.00 -0.53 0.00 0.00 176.83 177.04 2pbn h ALA 1047N 0.89 1.12 0.00 6.23 0.00 -0.92 -2.44 119.26 124.14 2pbn h ALA 1047Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pbn h ALA 1047Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2pbn h ALA 1047CO 0.01 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2pbn n ALA 1048N -2.15 2.18 -1.96 0.00 0.00 -1.00 -4.75 120.51 112.83 2pbn n ALA 1048Ca -0.02 -0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.97 2pbn n ALA 1048Cb 0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 19.45 18.12 2pbn n ALA 1048CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2pbn s ARG 1049N -3.10 4.17 0.17 0.00 3.52 -0.92 -4.98 118.95 117.81 2pbn s ARG 1049Ca 0.10 2.25 0.00 0.00 -0.13 0.00 0.00 55.73 57.96 2pbn s ARG 1049Cb 0.13 -4.01 -0.04 0.00 -1.56 0.00 0.00 34.95 29.47 2pbn s ARG 1049CO 0.54 -0.86 0.34 -1.64 -0.81 0.00 0.00 175.30 172.86 2pbn s MET 1050N 4.10 3.49 0.67 5.12 -1.94 -1.26 -5.06 119.30 124.42 2pbn s MET 1050Ca 0.76 -0.42 -0.15 0.00 -1.71 0.00 0.00 55.69 54.16 2pbn s MET 1050Cb -0.35 -2.90 0.01 0.00 2.01 0.00 0.00 34.83 33.60 2pbn s MET 1050CO 0.31 0.47 1.15 -2.14 -0.01 0.00 0.00 175.02 174.80 2pbn s PRO 1051N -3.16 2.63 -1.39 2.03 0.02 -1.26 -3.39 135.00 130.47 2pbn s PRO 1051Ca 0.37 1.55 -0.07 0.00 0.02 0.00 0.00 61.00 62.87 2pbn s PRO 1051Cb -0.11 -1.91 0.04 0.00 0.02 0.00 0.00 34.50 32.53 2pbn s PRO 1051CO 0.28 -1.41 0.94 0.39 -0.33 0.00 0.00 177.00 176.87 2pbn n GLU 1052N -2.39 -5.95 -4.64 5.54 1.02 -1.26 -5.00 120.64 107.95 2pbn n GLU 1052Ca 0.12 0.68 -0.29 0.00 -0.02 0.00 0.00 57.16 57.65 2pbn n GLU 1052Cb 0.51 -5.52 -0.09 0.00 -0.02 0.00 0.00 31.44 26.33 2pbn n GLU 1052CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2pbn s THR 1053N -3.43 1.17 0.90 2.62 -4.23 -1.22 -5.16 115.64 106.31 2pbn s THR 1053Ca 0.37 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.73 2pbn s THR 1053Cb -0.18 -2.44 0.21 0.00 1.34 0.00 0.00 72.50 71.44 2pbn s THR 1053CO 0.79 0.00 1.14 0.61 -0.54 0.00 0.00 174.62 176.62 2pbn n GLY 1054N -1.05 -1.70 3.74 3.99 0.00 -0.17 -5.00 105.19 105.01 2pbn n GLY 1054Ca -0.11 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 2pbn n GLY 1054CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2pbn s PRO 1055N -5.50 2.71 0.03 1.61 0.04 -1.26 -4.65 135.00 127.98 2pbn s PRO 1055Ca 0.66 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 63.27 2pbn s PRO 1055Cb -0.03 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2pbn s PRO 1055CO 0.47 -1.43 1.03 0.08 0.04 0.00 0.00 177.00 177.19 2pbn s VAL 1056N -1.61 4.61 -0.19 -0.36 1.01 -0.76 -4.48 120.40 118.61 2pbn s VAL 1056Ca 0.78 1.91 -0.20 0.00 0.00 0.00 0.00 61.98 64.48 2pbn s VAL 1056Cb -0.32 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 2pbn s VAL 1056CO 0.37 0.17 0.57 -0.22 0.00 0.00 0.00 175.10 175.99 2pbn s LEU 1057N 0.87 4.15 -0.10 3.92 0.20 -0.63 -1.00 118.68 126.09 2pbn s LEU 1057Ca 0.53 0.76 0.04 0.00 0.69 0.00 0.00 54.13 56.14 2pbn s LEU 1057Cb -0.23 -2.80 0.00 0.00 -0.43 0.00 0.00 46.19 42.73 2pbn s LEU 1057CO 0.29 -0.22 -0.23 -0.69 -0.29 0.00 0.00 176.35 175.21 2pbn s VAL 1058N 1.73 2.03 0.05 1.68 1.01 0.54 0.39 120.40 127.83 2pbn s VAL 1058Ca 0.26 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 61.16 2pbn s VAL 1058Cb -0.16 -1.76 0.00 0.00 0.00 0.00 0.00 36.38 34.47 2pbn s VAL 1058CO 0.10 0.55 0.18 -1.38 0.00 0.00 0.00 175.10 174.55 2pbn s HIS 1059N 0.41 0.09 0.00 5.22 -0.00 0.20 -1.62 115.29 119.59 2pbn s HIS 1059Ca -0.17 -0.35 0.00 0.00 -0.00 0.00 0.00 55.06 54.54 2pbn s HIS 1059Cb -0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 32.58 32.36 2pbn s HIS 1059CO 0.07 -0.44 0.00 0.00 -0.00 0.00 0.00 174.74 174.38 2pbn n SER 1061N 0.00 0.65 0.13 0.00 2.88 -1.26 -2.22 113.62 113.81 2pbn n SER 1061Ca 0.00 0.32 0.12 0.00 -1.33 0.00 0.00 58.87 57.98 2pbn n SER 1061Cb 0.00 -0.62 0.27 0.00 -0.75 0.00 0.00 64.21 63.11 2pbn n SER 1061CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pbn h ALA 1062N -1.65 0.90 -1.25 -1.46 0.00 -1.89 0.74 119.26 114.65 2pbn h ALA 1062Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2pbn h ALA 1062Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2pbn h ALA 1062CO 0.00 0.00 -0.19 0.41 0.00 0.00 0.00 179.25 179.47 2pbn n GLY 1063N 1.24 0.13 0.78 0.00 0.00 -1.24 -4.03 105.19 102.07 2pbn n GLY 1063Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.51 2pbn n GLY 1063CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2pbn n VAL 1064N -3.91 0.00 0.00 1.61 0.24 -1.26 -4.39 118.33 110.62 2pbn n VAL 1064Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 2pbn n VAL 1064Cb 0.56 -0.80 0.00 0.00 -1.47 0.00 0.00 33.84 32.13 2pbn n VAL 1064CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2pbn n GLY 1065N 2.61 -0.09 0.30 7.63 0.00 -1.26 -1.16 105.19 113.22 2pbn n GLY 1065Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2pbn n GLY 1065CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pbn h ARG 1066N 0.00 0.92 -0.01 1.61 3.08 -1.95 -0.85 114.38 117.17 2pbn h ARG 1066Ca 0.00 -0.24 0.03 0.00 0.07 0.00 0.00 59.98 59.84 2pbn h ARG 1066Cb 0.00 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 29.90 2pbn h ARG 1066CO 0.00 0.88 -0.18 1.15 -1.07 0.00 0.00 179.97 180.75 2pbn h THR 1067N 0.86 0.57 -0.94 2.04 2.02 -1.88 -0.17 112.91 115.41 2pbn h THR 1067Ca 0.17 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.40 2pbn h THR 1067Cb 0.43 0.57 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 2pbn h THR 1067CO 0.02 0.00 0.61 1.23 0.37 0.00 0.00 175.52 177.74 2pbn h GLY 1068N -0.29 1.40 0.84 2.16 0.00 -0.94 -1.53 103.07 104.70 2pbn h GLY 1068Ca 0.06 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.95 2pbn h GLY 1068CO -0.18 0.36 0.04 -0.84 0.00 0.00 0.00 176.54 175.92 2pbn h THR 1069N 1.15 0.94 0.05 4.70 2.02 -0.69 0.47 112.91 121.55 2pbn h THR 1069Ca 0.39 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.55 2pbn h THR 1069Cb 0.07 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2pbn h THR 1069CO -0.14 0.02 -0.13 0.22 0.37 0.00 0.00 175.52 175.85 2pbn h TYR 1070N 0.11 -0.35 -0.45 3.16 5.03 -0.74 -1.34 116.97 122.39 2pbn h TYR 1070Ca 0.07 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.44 2pbn h TYR 1070Cb 0.06 0.15 -0.05 0.00 1.55 0.00 0.00 36.73 38.44 2pbn h TYR 1070CO -0.12 -0.20 0.18 0.82 -1.32 0.00 0.00 178.16 177.52 2pbn h ILE 1071N -0.25 0.90 -0.37 1.81 2.04 -0.98 0.02 117.51 120.67 2pbn h ILE 1071Ca 0.03 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2pbn h ILE 1071Cb 0.28 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 2pbn h ILE 1071CO -0.09 0.07 0.08 0.58 0.00 0.00 0.00 178.15 178.78 2pbn h VAL 1072N 0.37 1.23 0.05 1.67 2.07 -0.78 -0.94 116.25 119.92 2pbn h VAL 1072Ca 0.21 -0.80 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 2pbn h VAL 1072Cb 0.17 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 2pbn h VAL 1072CO -0.19 0.27 -0.02 0.40 0.02 0.00 0.00 177.57 178.05 2pbn h ILE 1073N 0.46 1.03 -0.39 4.57 2.04 -0.96 0.89 117.51 125.15 2pbn h ILE 1073Ca 0.12 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.77 2pbn h ILE 1073Cb 0.33 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.56 2pbn h ILE 1073CO 0.00 0.06 0.20 -0.78 0.00 0.00 0.00 178.15 177.64 2pbn h ASP 1074N -0.17 0.30 -0.44 1.72 3.58 -0.97 -0.23 116.42 120.21 2pbn h ASP 1074Ca -0.01 0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.39 2pbn h ASP 1074Cb 0.15 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2pbn h ASP 1074CO 0.01 0.22 -0.01 0.28 -2.88 0.00 0.00 179.24 176.87 2pbn h SER 1075N 0.41 0.77 0.11 2.28 0.02 -1.00 -1.91 113.55 114.23 2pbn h SER 1075Ca 0.16 -0.31 -0.14 0.00 -0.84 0.00 0.00 61.79 60.66 2pbn h SER 1075Cb 0.06 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.38 2pbn h SER 1075CO -0.11 0.89 -0.49 0.24 -1.14 0.00 0.00 176.83 176.22 2pbn h MET 1076N 0.62 0.43 -0.72 3.45 2.86 -0.56 -0.62 114.93 120.40 2pbn h MET 1076Ca 0.12 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.52 2pbn h MET 1076Cb 0.50 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.14 2pbn h MET 1076CO 0.02 0.83 0.46 -0.07 1.06 0.00 0.00 176.91 179.22 2pbn h LEU 1077N 0.35 0.84 -0.58 1.22 3.38 -0.84 0.13 115.31 119.80 2pbn h LEU 1077Ca 0.02 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2pbn h LEU 1077Cb 0.99 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 2pbn h LEU 1077CO 0.09 0.63 0.24 1.56 0.09 0.00 0.00 178.44 181.05 2pbn h GLN 1078N 0.98 0.86 -0.45 1.13 1.08 -0.92 -1.11 115.11 116.68 2pbn h GLN 1078Ca 0.26 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2pbn h GLN 1078Cb -0.08 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.18 2pbn h GLN 1078CO -0.05 0.73 0.20 0.37 -0.95 0.00 0.00 178.83 179.13 2pbn h GLN 1079N 0.80 0.66 -0.70 1.46 4.15 -0.54 -0.56 115.11 120.38 2pbn h GLN 1079Ca 0.19 -0.11 0.02 0.00 0.77 0.00 0.00 58.65 59.53 2pbn h GLN 1079Cb 0.19 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 2pbn h GLN 1079CO -0.02 0.59 0.45 0.82 -1.93 0.00 0.00 178.83 178.73 2pbn h ILE 1080N 0.59 1.12 -0.37 2.39 2.04 -0.65 0.21 117.51 122.83 2pbn h ILE 1080Ca 0.15 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2pbn h ILE 1080Cb 0.15 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 2pbn h ILE 1080CO -0.02 0.16 0.11 0.50 0.00 0.00 0.00 178.15 178.91 2pbn h LYS 1081N 0.88 0.57 -0.17 2.37 3.64 -0.69 -0.51 116.57 122.67 2pbn h LYS 1081Ca 0.27 -0.12 -0.22 0.00 -1.27 0.00 0.00 60.65 59.31 2pbn h LYS 1081Cb -0.02 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2pbn h LYS 1081CO -0.09 0.59 -0.76 0.22 -2.27 0.00 0.00 179.45 177.14 2pbn h ASP 1082N 0.45 0.94 0.00 4.20 -0.00 -0.93 -3.40 116.42 117.68 2pbn h ASP 1082Ca 0.12 -0.61 0.00 0.00 -0.00 0.00 0.00 57.03 56.54 2pbn h ASP 1082Cb 0.26 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.31 2pbn h ASP 1082CO -0.00 1.41 0.00 0.29 -0.00 0.00 0.00 179.24 180.93 2pbn n LYS 1083N -3.94 2.17 -3.58 0.28 4.76 0.04 -5.02 118.16 112.88 2pbn n LYS 1083Ca -0.07 -0.08 -0.27 0.00 -2.87 0.00 0.00 58.31 55.02 2pbn n LYS 1083Cb 0.74 -0.42 0.01 0.00 -1.84 0.00 0.00 35.03 33.51 2pbn n LYS 1083CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2pbn n SER 1084N -0.33 -4.29 -4.29 4.39 7.64 -0.20 -4.98 113.62 111.55 2pbn n SER 1084Ca 0.00 -0.56 -0.15 0.00 1.01 0.00 0.00 58.87 59.17 2pbn n SER 1084Cb 0.04 -3.49 -0.10 0.00 -1.01 0.00 0.00 64.21 59.65 2pbn n SER 1084CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2pbn s THR 1085N -3.10 0.89 0.02 0.44 -4.23 -1.26 -1.57 115.64 106.82 2pbn s THR 1085Ca 0.51 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 2pbn s THR 1085Cb -0.26 -2.24 -0.01 0.00 1.34 0.00 0.00 72.50 71.33 2pbn s THR 1085CO 0.62 -0.40 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.59 2pbn s VAL 1086N -3.52 0.17 -0.41 2.29 1.01 0.15 -3.18 120.40 116.90 2pbn s VAL 1086Ca 0.26 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.69 2pbn s VAL 1086Cb 0.06 -0.25 0.33 0.00 0.00 0.00 0.00 36.38 36.51 2pbn s VAL 1086CO 0.07 -0.31 0.86 -3.20 0.00 0.00 0.00 175.10 172.52 2pbn n ASN 1087N 2.06 -0.58 -0.03 3.32 4.05 -1.26 -0.82 115.26 122.01 2pbn n ASN 1087Ca -0.20 -3.25 -0.11 0.00 0.45 0.00 0.00 54.58 51.46 2pbn n ASN 1087Cb 0.56 0.44 -0.06 0.00 1.23 0.00 0.00 39.78 41.95 2pbn n ASN 1087CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 177.26 174.79 2pbn h VAL 1088N 1.91 1.16 -0.23 3.44 2.07 -1.98 -0.31 116.25 122.31 2pbn h VAL 1088Ca 0.01 -0.48 -0.07 0.00 0.82 0.00 0.00 66.70 66.98 2pbn h VAL 1088Cb 1.01 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 2pbn h VAL 1088CO 0.35 0.14 -0.11 0.25 0.02 0.00 0.00 177.57 178.23 2pbn h LEU 1089N 0.03 0.50 -0.57 2.57 5.85 -1.99 0.13 115.31 121.83 2pbn h LEU 1089Ca 0.04 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 2pbn h LEU 1089Cb 0.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 2pbn h LEU 1089CO -0.00 0.80 0.25 1.23 -0.34 0.00 0.00 178.44 180.38 2pbn h GLY 1090N 0.20 0.90 0.94 3.75 0.00 -1.94 -0.83 103.07 106.09 2pbn h GLY 1090Ca 0.05 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 2pbn h GLY 1090CO 0.03 0.44 -0.06 -2.75 0.00 0.00 0.00 176.54 174.21 2pbn h PHE 1091N 0.78 0.77 -0.56 5.60 3.04 -0.86 -1.53 116.94 124.19 2pbn h PHE 1091Ca 0.19 -0.16 -0.04 0.00 3.98 0.00 0.00 57.97 61.95 2pbn h PHE 1091Cb 0.16 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 2pbn h PHE 1091CO 0.00 0.83 0.19 1.25 -2.02 0.00 0.00 178.31 178.56 2pbn h LEU 1092N 0.49 0.79 -1.10 0.59 5.85 -0.85 -0.51 115.31 120.59 2pbn h LEU 1092Ca 0.10 -0.19 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2pbn h LEU 1092Cb 0.56 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 2pbn h LEU 1092CO 0.03 0.78 0.61 0.11 -0.34 0.00 0.00 178.44 179.63 2pbn h LYS 1093N 0.77 1.19 -0.12 1.25 1.57 -1.04 -1.16 116.57 119.04 2pbn h LYS 1093Ca 0.18 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2pbn h LYS 1093Cb 0.25 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 2pbn h LYS 1093CO -0.01 0.79 0.04 1.25 -0.57 0.00 0.00 179.45 180.95 2pbn h HIS 1094N 1.23 0.18 0.00 -1.35 2.76 -0.60 -3.13 115.15 114.25 2pbn h HIS 1094Ca 0.35 -0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.47 2pbn h HIS 1094Cb -0.10 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 2pbn h HIS 1094CO -0.00 0.31 -0.13 -0.84 -1.30 0.00 0.00 177.93 175.98 2pbn h ILE 1095N 0.00 0.30 -0.23 6.26 3.07 -0.71 -2.24 117.51 123.96 2pbn h ILE 1095Ca 0.04 -0.90 0.07 0.00 1.55 0.00 0.00 64.86 65.61 2pbn h ILE 1095Cb 0.22 1.70 -0.01 0.00 -0.27 0.00 0.00 36.82 38.46 2pbn h ILE 1095CO -0.00 0.12 0.25 0.03 -1.05 0.00 0.00 178.15 177.50 2pbn h ARG 1096N 0.00 0.00 0.00 0.16 2.47 -1.16 0.12 114.38 115.97 2pbn h ARG 1096Ca -0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2pbn h ARG 1096Cb 0.69 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.01 2pbn h ARG 1096CO 0.02 0.00 -0.04 1.79 0.56 0.00 0.00 179.97 182.29 2pbn h THR 1097N 0.00 0.12 0.00 2.04 1.35 -1.47 -3.32 112.91 111.64 2pbn h THR 1097Ca 0.11 -0.60 -0.29 0.00 -0.55 0.00 0.00 66.41 65.08 2pbn h THR 1097Cb 0.61 1.53 -0.05 0.00 -1.73 0.00 0.00 68.15 68.51 2pbn h THR 1097CO -0.00 0.04 -2.30 0.00 -0.25 0.00 0.00 175.52 173.02 2pbn n GLN 1098N -3.17 0.68 -3.70 4.72 6.02 0.37 -4.95 117.38 117.36 2pbn n GLN 1098Ca 0.00 -0.05 -0.11 0.00 -0.01 0.00 0.00 57.00 56.83 2pbn n GLN 1098Cb 0.32 -1.52 -0.10 0.00 1.02 0.00 0.00 30.24 29.95 2pbn n GLN 1098CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2pbn s ARG 1099N -2.72 0.47 0.36 -1.09 3.52 -0.95 -4.55 118.95 114.00 2pbn s ARG 1099Ca -0.09 0.77 -0.28 0.00 -0.13 0.00 0.00 55.73 55.99 2pbn s ARG 1099Cb 0.08 0.09 -0.11 0.00 -1.56 0.00 0.00 34.95 33.45 2pbn s ARG 1099CO 0.85 -0.12 1.45 0.27 -0.81 0.00 0.00 175.30 176.93 2pbn n ASN 1100N 3.75 3.57 -0.13 -2.12 2.04 -1.26 -3.40 115.26 117.71 2pbn n ASN 1100Ca -0.19 1.22 -0.02 0.00 -0.44 0.00 0.00 54.58 55.15 2pbn n ASN 1100Cb 0.56 -1.59 -0.01 0.00 -2.53 0.00 0.00 39.78 36.22 2pbn n ASN 1100CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 2pbn n TYR 1101N 0.52 0.00 -1.68 -2.53 4.01 -1.26 -4.84 117.16 111.38 2pbn n TYR 1101Ca 0.02 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.31 2pbn n TYR 1101Cb 0.38 -1.18 -0.04 0.00 -0.31 0.00 0.00 39.34 38.19 2pbn n TYR 1101CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2pbn n LEU 1102N -0.19 3.51 -2.37 7.72 4.77 -1.22 -2.52 117.00 126.69 2pbn n LEU 1102Ca -0.02 1.03 -0.01 0.00 -0.03 0.00 0.00 56.01 56.99 2pbn n LEU 1102Cb 0.27 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.90 2pbn n LEU 1102CO 0.03 -0.07 -0.28 0.52 -1.33 0.00 0.00 177.39 176.25 2pbn n VAL 1103N 4.16 -9.00 0.09 4.08 0.31 -0.31 -4.90 118.33 112.76 2pbn n VAL 1103Ca 0.18 1.19 0.02 0.00 -0.01 0.00 0.00 64.34 65.72 2pbn n VAL 1103Cb 0.32 -6.13 -0.02 0.00 -0.91 0.00 0.00 33.84 27.10 2pbn n VAL 1103CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2pbn h GLN 1104N 2.02 0.00 -5.68 5.55 4.15 -1.68 -3.47 115.11 116.00 2pbn h GLN 1104Ca 0.00 0.00 -0.47 0.00 0.77 0.00 0.00 58.65 58.95 2pbn h GLN 1104Cb 0.13 0.00 -0.20 0.00 0.21 0.00 0.00 27.48 27.62 2pbn h GLN 1104CO 0.08 0.40 -0.78 0.95 -1.93 0.00 0.00 178.83 177.55 2pbn s THR 1105N -2.96 1.47 0.40 2.39 -4.23 -1.26 -5.03 115.64 106.41 2pbn s THR 1105Ca 0.01 -1.62 0.09 0.00 -1.18 0.00 0.00 61.69 58.99 2pbn s THR 1105Cb 0.08 -1.49 0.30 0.00 1.34 0.00 0.00 72.50 72.73 2pbn s THR 1105CO 0.78 -0.27 1.98 -0.08 -0.54 0.00 0.00 174.62 176.49 2pbn h GLU 1106N 3.78 0.57 -0.75 3.99 4.81 -1.97 -1.26 114.58 123.75 2pbn h GLU 1106Ca -0.42 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.75 2pbn h GLU 1106Cb 1.19 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 2pbn h GLU 1106CO 0.46 0.38 0.35 0.93 -0.73 0.00 0.00 179.01 180.40 2pbn h GLU 1107N 0.59 1.08 -0.39 1.92 3.07 -1.99 0.47 114.58 119.33 2pbn h GLU 1107Ca 0.27 -0.15 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 2pbn h GLU 1107Cb 0.31 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 2pbn h GLU 1107CO -0.08 0.84 -0.03 1.96 -1.40 0.00 0.00 179.01 180.29 2pbn h GLN 1108N 1.07 0.71 -0.61 2.33 4.20 -1.73 0.33 115.11 121.40 2pbn h GLN 1108Ca 0.26 -0.24 0.03 0.00 0.06 0.00 0.00 58.65 58.76 2pbn h GLN 1108Cb 0.12 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.80 2pbn h GLN 1108CO -0.03 0.82 0.37 -0.92 -0.67 0.00 0.00 178.83 178.40 2pbn h TYR 1109N 0.52 0.70 -0.44 2.96 3.20 -0.64 -1.20 116.97 122.07 2pbn h TYR 1109Ca 0.11 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.97 2pbn h TYR 1109Cb 0.52 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2pbn h TYR 1109CO 0.04 0.39 0.17 0.82 -1.64 0.00 0.00 178.16 177.94 2pbn h ILE 1110N 0.73 1.21 -0.91 1.81 2.04 -0.75 -2.96 117.51 118.68 2pbn h ILE 1110Ca 0.25 -0.65 0.09 0.00 1.00 0.00 0.00 64.86 65.54 2pbn h ILE 1110Cb 0.04 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 2pbn h ILE 1110CO -0.11 0.24 0.59 0.15 0.00 0.00 0.00 178.15 179.02 2pbn h PHE 1111N 0.57 1.01 -0.54 1.37 3.57 -0.45 -0.56 116.94 121.91 2pbn h PHE 1111Ca 0.15 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.74 2pbn h PHE 1111Cb 0.21 -0.33 -0.06 0.00 2.79 0.00 0.00 35.95 38.56 2pbn h PHE 1111CO 0.00 0.49 0.22 0.82 -2.23 0.00 0.00 178.31 177.61 2pbn h ILE 1112N 0.96 0.86 -0.42 1.41 2.04 -1.06 0.16 117.51 121.45 2pbn h ILE 1112Ca 0.41 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 66.03 2pbn h ILE 1112Cb 0.33 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 2pbn h ILE 1112CO -0.17 0.08 -0.10 0.45 0.00 0.00 0.00 178.15 178.40 2pbn h HIS 1113N 0.42 0.92 -0.78 1.37 3.86 -1.18 -0.32 115.15 119.45 2pbn h HIS 1113Ca 0.25 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2pbn h HIS 1113Cb 0.25 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 2pbn h HIS 1113CO -0.14 0.93 0.52 0.22 0.86 0.00 0.00 177.93 180.32 2pbn h ASP 1114N 0.64 0.89 -0.16 2.45 3.58 -0.42 0.49 116.42 123.90 2pbn h ASP 1114Ca 0.11 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 2pbn h ASP 1114Cb 0.64 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2pbn h ASP 1114CO 0.04 0.65 0.02 0.00 -2.88 0.00 0.00 179.24 177.07 2pbn h ALA 1115N 1.29 0.21 -0.72 -0.78 0.00 -0.53 -1.75 119.26 116.98 2pbn h ALA 1115Ca 0.29 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2pbn h ALA 1115Cb -0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2pbn h ALA 1115CO -0.06 -0.12 0.25 -0.07 0.00 0.00 0.00 179.25 179.24 2pbn h LEU 1116N 0.03 1.01 -0.53 0.00 3.38 -0.85 -1.22 115.31 117.14 2pbn h LEU 1116Ca 0.05 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2pbn h LEU 1116Cb 0.32 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2pbn h LEU 1116CO 0.00 0.93 0.34 0.25 0.09 0.00 0.00 178.44 180.05 2pbn h LEU 1117N 1.06 0.58 -1.01 1.67 5.85 -0.79 0.25 115.31 122.91 2pbn h LEU 1117Ca 0.24 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 2pbn h LEU 1117Cb 0.26 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2pbn h LEU 1117CO -0.01 0.42 0.18 -0.33 -0.34 0.00 0.00 178.44 178.36 2pbn h GLU 1118N 0.70 0.89 -0.32 1.25 5.08 -0.92 0.23 114.58 121.49 2pbn h GLU 1118Ca 0.20 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 2pbn h GLU 1118Cb -0.05 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2pbn h GLU 1118CO -0.06 0.77 0.09 0.00 -1.00 0.00 0.00 179.01 178.81 2pbn h ALA 1119N 1.33 0.42 -0.55 3.43 0.00 -0.70 -0.37 119.26 122.83 2pbn h ALA 1119Ca 0.20 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2pbn h ALA 1119Cb 0.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2pbn h ALA 1119CO -0.01 0.07 0.20 0.82 0.00 0.00 0.00 179.25 180.33 2pbn h ILE 1120N 0.35 1.23 0.00 0.00 2.04 -0.49 -2.81 117.51 117.83 2pbn h ILE 1120Ca 0.10 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2pbn h ILE 1120Cb 0.28 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2pbn h ILE 1120CO -0.00 0.28 0.00 -0.07 0.00 0.00 0.00 178.15 178.36 2pbn h LEU 1121N 0.75 0.00 0.00 1.44 3.38 -0.76 -3.51 115.31 116.61 2pbn h LEU 1121Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2pbn h LEU 1121Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2pbn h LEU 1121CO -0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.13