#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lpb s GLN 843 N 0.00 3.55 -0.09 -0.78 -1.52 -1.26 -1.53 119.66 118.02 3lpb s GLN 843 Ca 0.00 -0.54 -0.00 0.00 -1.95 0.00 0.00 55.36 52.86 3lpb s GLN 843 Cb 0.00 -3.13 -0.03 0.00 -0.22 0.00 0.00 33.01 29.64 3lpb s GLN 843 CO 0.00 -0.12 -0.06 -0.06 -0.25 0.00 0.00 175.29 174.80 3lpb s PHE 844 N 1.34 2.97 -0.21 0.91 0.40 -0.43 -4.98 117.98 117.98 3lpb s PHE 844 Ca 0.04 -0.08 -0.22 0.00 -0.60 0.00 0.00 56.93 56.08 3lpb s PHE 844 Cb -0.15 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.58 3lpb s PHE 844 CO 0.01 0.23 0.67 -1.21 0.70 0.00 0.00 175.22 175.61 3lpb s GLU 845 N -0.48 4.21 0.30 0.44 2.02 -1.26 -4.37 118.70 119.55 3lpb s GLU 845 Ca 0.07 0.68 0.06 0.00 0.02 0.00 0.00 54.97 55.80 3lpb s GLU 845 Cb -0.12 -3.59 0.79 0.00 0.10 0.00 0.00 34.13 31.31 3lpb s GLU 845 CO 0.02 -0.30 1.69 1.49 0.02 0.00 0.00 175.26 178.18 3lpb h GLU 846 N 7.54 0.36 0.00 1.61 4.57 -1.96 -0.50 114.58 126.20 3lpb h GLU 846 Ca -0.30 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 57.85 3lpb h GLU 846 Cb 1.13 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.64 3lpb h GLU 846 CO 0.79 0.24 -0.03 0.07 -1.18 0.00 0.00 179.01 178.90 3lpb h ARG 847 N 0.37 0.00 -0.02 1.92 0.11 -1.99 -2.47 114.38 112.30 3lpb h ARG 847 Ca 0.59 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.67 3lpb h ARG 847 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3lpb h ARG 847 CO -0.56 0.03 -0.06 0.72 0.10 0.00 0.00 179.97 180.20 3lpb n HIS 848 N -3.84 0.00 -2.95 4.08 8.25 -0.20 -4.84 115.22 115.72 3lpb n HIS 848 Ca -0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.02 3lpb n HIS 848 Cb 0.12 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.17 3lpb n HIS 848 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3lpb s LEU 849 N -2.09 4.08 -0.26 2.41 1.43 -0.93 -0.83 118.68 122.49 3lpb s LEU 849 Ca 0.31 0.72 -0.09 0.00 -1.03 0.00 0.00 54.13 54.04 3lpb s LEU 849 Cb 0.20 -3.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 3lpb s LEU 849 CO 0.36 -0.58 0.12 -0.54 0.23 0.00 0.00 176.35 175.95 3lpb s LYS 850 N 2.89 3.79 0.27 1.70 1.02 0.12 -4.93 119.74 124.60 3lpb s LYS 850 Ca 0.32 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.61 3lpb s LYS 850 Cb -0.14 -3.47 -0.10 0.00 -0.52 0.00 0.00 37.83 33.60 3lpb s LYS 850 CO 0.11 -0.18 1.39 0.12 -0.92 0.00 0.00 175.35 175.87 3lpb s PHE 851 N 1.66 3.05 -0.02 3.18 5.36 -1.26 -0.69 117.98 129.26 3lpb s PHE 851 Ca 0.07 1.16 -0.01 0.00 -0.96 0.00 0.00 56.93 57.18 3lpb s PHE 851 Cb -0.15 -3.76 -0.01 0.00 -0.34 0.00 0.00 43.02 38.76 3lpb s PHE 851 CO 0.07 -2.36 -0.03 1.28 -1.46 0.00 0.00 175.22 172.71 3lpb n LEU 852 N 1.94 0.29 -3.52 6.12 4.77 0.32 -4.88 117.00 122.04 3lpb n LEU 852 Ca 0.05 0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.95 3lpb n LEU 852 Cb 0.41 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 3lpb n LEU 852 CO 0.60 0.07 0.66 0.00 -1.33 0.00 0.00 177.39 177.39 3lpb s GLN 853 N -2.04 0.82 0.06 3.23 -2.07 -1.01 -4.99 119.66 113.66 3lpb s GLN 853 Ca -0.03 -0.14 -0.31 0.00 -1.82 0.00 0.00 55.36 53.06 3lpb s GLN 853 Cb 0.01 0.38 -0.06 0.00 -1.09 0.00 0.00 33.01 32.25 3lpb s GLN 853 CO 0.04 -0.32 1.22 -1.14 -1.32 0.00 0.00 175.29 173.77 3lpb s GLN 854 N -2.43 4.41 -0.20 9.60 2.00 -1.26 0.12 119.66 131.90 3lpb s GLN 854 Ca 0.01 1.80 0.16 0.00 -2.00 0.00 0.00 55.36 55.34 3lpb s GLN 854 Cb -0.01 -3.35 -0.24 0.00 0.80 0.00 0.00 33.01 30.21 3lpb s GLN 854 CO -0.05 -0.29 0.05 1.28 -0.50 0.00 0.00 175.29 175.78 3lpb n LEU 855 N 4.01 0.24 0.00 3.68 4.77 0.17 -4.84 117.00 125.03 3lpb n LEU 855 Ca 0.09 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3lpb n LEU 855 Cb 0.46 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.93 3lpb n LEU 855 CO 0.56 0.53 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 3lpb n GLY 856 N 1.81 1.17 3.41 -0.72 0.00 -1.07 -4.98 105.19 104.82 3lpb n GLY 856 Ca -0.33 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 3lpb n GLY 856 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lpb s LYS 857 N -2.00 1.49 0.00 1.61 1.02 -1.26 -1.19 119.74 119.41 3lpb s LYS 857 Ca 0.00 -1.50 0.00 0.00 0.02 0.00 0.00 55.97 54.49 3lpb s LYS 857 Cb 0.00 -1.82 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 3lpb s LYS 857 CO 0.00 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.23 3lpb n GLY 858 N 0.32 1.28 4.21 -3.33 0.00 -0.68 -5.01 105.19 101.98 3lpb n GLY 858 Ca -0.13 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3lpb n GLY 858 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lpb n ASN 859 N 0.00 -0.51 0.00 1.61 3.02 -1.26 -0.81 115.26 117.30 3lpb n ASN 859 Ca 0.00 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.30 3lpb n ASN 859 Cb 0.00 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 37.63 3lpb n ASN 859 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3lpb n PHE 860 N -4.63 0.00 -4.07 3.10 3.72 -1.26 -4.98 117.46 109.34 3lpb n PHE 860 Ca -0.26 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 56.93 3lpb n PHE 860 Cb 0.64 -0.88 -0.04 0.00 -0.94 0.00 0.00 39.48 38.26 3lpb n PHE 860 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3lpb s GLY 861 N -2.00 1.36 0.01 1.37 0.00 0.01 -0.23 107.32 107.84 3lpb s GLY 861 Ca 0.00 -1.36 -0.00 0.00 0.00 0.00 0.00 44.72 43.36 3lpb s GLY 861 CO 0.00 -1.39 -0.01 -0.45 0.00 0.00 0.00 173.10 171.25 3lpb s SER 862 N -3.86 0.10 -0.05 1.64 0.15 0.32 -1.68 113.70 110.31 3lpb s SER 862 Ca 0.33 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.80 3lpb s SER 862 Cb -0.08 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 3lpb s SER 862 CO 0.26 -0.14 -0.15 -0.69 1.20 0.00 0.00 173.24 173.72 3lpb s VAL 863 N -0.66 1.30 0.14 4.45 1.01 -0.33 -0.30 120.40 126.00 3lpb s VAL 863 Ca -0.07 -0.62 0.11 0.00 0.00 0.00 0.00 61.98 61.40 3lpb s VAL 863 Cb -0.05 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3lpb s VAL 863 CO -0.00 0.38 -0.26 -1.61 0.00 0.00 0.00 175.10 173.61 3lpb s GLU 864 N 0.28 1.39 -0.19 2.72 2.02 0.55 0.44 118.70 125.91 3lpb s GLU 864 Ca -0.08 -1.35 -0.22 0.00 0.02 0.00 0.00 54.97 53.34 3lpb s GLU 864 Cb -0.13 -1.83 -0.02 0.00 0.10 0.00 0.00 34.13 32.24 3lpb s GLU 864 CO 0.03 0.43 0.66 1.41 0.02 0.00 0.00 175.26 177.81 3lpb s MET 865 N -2.13 4.24 0.13 1.61 -2.45 0.12 -0.75 119.30 120.06 3lpb s MET 865 Ca 0.14 0.69 0.06 0.00 -1.25 0.00 0.00 55.69 55.33 3lpb s MET 865 Cb -0.10 -3.57 -0.04 0.00 1.25 0.00 0.00 34.83 32.37 3lpb s MET 865 CO 0.06 -0.24 -0.13 0.00 1.05 0.00 0.00 175.02 175.77 3lpb s ARG 867 N -2.93 3.93 -0.50 0.00 3.52 0.14 -0.26 118.95 122.85 3lpb s ARG 867 Ca 0.11 -0.35 -0.20 0.00 -0.13 0.00 0.00 55.73 55.16 3lpb s ARG 867 Cb -0.03 -3.33 0.05 0.00 -1.56 0.00 0.00 34.95 30.08 3lpb s ARG 867 CO 0.03 0.11 0.65 -0.47 -0.81 0.00 0.00 175.30 174.81 3lpb s TYR 868 N 0.84 3.03 -0.54 5.12 5.04 -0.10 -0.70 117.35 130.04 3lpb s TYR 868 Ca 0.05 -0.43 0.07 0.00 -2.44 0.00 0.00 57.07 54.32 3lpb s TYR 868 Cb -0.13 -3.54 0.28 0.00 0.35 0.00 0.00 41.96 38.91 3lpb s TYR 868 CO 0.02 -1.03 0.74 -3.47 -1.34 0.00 0.00 175.55 170.47 3lpb n ASP 869 N 6.28 2.73 0.29 4.32 2.03 -0.01 -3.26 116.55 128.93 3lpb n ASP 869 Ca -0.05 -3.27 0.17 0.00 0.52 0.00 0.00 54.79 52.16 3lpb n ASP 869 Cb 0.46 -0.63 0.88 0.00 -0.72 0.00 0.00 41.12 41.11 3lpb n ASP 869 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3lpb h PRO 870 N 3.73 0.00 -0.01 -0.67 0.13 -1.93 0.65 132.00 133.90 3lpb h PRO 870 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3lpb h PRO 870 Cb 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 3lpb h PRO 870 CO 0.70 0.04 -0.00 1.28 -0.23 0.00 0.00 178.00 179.80 3lpb n LEU 871 N -3.31 0.81 -2.45 1.56 4.77 -1.26 -4.92 117.00 112.20 3lpb n LEU 871 Ca -0.02 -0.27 -0.12 0.00 -0.03 0.00 0.00 56.01 55.58 3lpb n LEU 871 Cb 0.20 -0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 3lpb n LEU 871 CO 0.26 0.14 -0.15 0.00 -1.33 0.00 0.00 177.39 176.30 3lpb n GLN 872 N -0.37 -2.27 -0.12 3.23 1.13 0.22 -4.79 117.38 114.40 3lpb n GLN 872 Ca 0.21 0.57 0.09 0.00 -1.94 0.00 0.00 57.00 55.92 3lpb n GLN 872 Cb 0.25 -5.16 0.14 0.00 0.11 0.00 0.00 30.24 25.58 3lpb n GLN 872 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3lpb n ASP 873 N -1.79 2.56 -3.73 1.08 5.75 -1.26 -4.99 116.55 114.16 3lpb n ASP 873 Ca -0.14 -2.95 -0.26 0.00 -0.01 0.00 0.00 54.79 51.43 3lpb n ASP 873 Cb 0.61 -0.40 0.05 0.00 -1.03 0.00 0.00 41.12 40.35 3lpb n ASP 873 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3lpb n ASN 874 N -1.17 -5.04 -0.02 -1.12 5.15 -1.26 -4.91 115.26 106.90 3lpb n ASN 874 Ca 0.15 -0.67 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 3lpb n ASN 874 Cb 0.64 -4.47 0.00 0.00 -0.53 0.00 0.00 39.78 35.42 3lpb n ASN 874 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 3lpb n THR 875 N -4.76 0.17 -1.73 -0.44 -2.24 -1.26 -5.08 114.28 98.94 3lpb n THR 875 Ca -0.02 -0.59 -0.31 0.00 -2.27 0.00 0.00 64.05 60.87 3lpb n THR 875 Cb 0.56 0.92 0.04 0.00 -2.10 0.00 0.00 70.33 69.75 3lpb n THR 875 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3lpb s GLY 876 N -0.20 1.65 0.48 3.38 0.00 -1.26 -5.03 107.32 106.34 3lpb s GLY 876 Ca 0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 44.72 44.43 3lpb s GLY 876 CO 0.01 0.22 0.99 -1.83 0.00 0.00 0.00 173.10 172.49 3lpb s GLU 877 N -5.17 3.96 0.18 2.90 -1.05 -1.20 -4.68 118.70 113.65 3lpb s GLU 877 Ca 0.57 1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 56.27 3lpb s GLU 877 Cb -0.12 -2.13 -0.08 0.00 -0.44 0.00 0.00 34.13 31.36 3lpb s GLU 877 CO 0.54 -0.27 1.00 0.08 0.95 0.00 0.00 175.26 177.55 3lpb s VAL 878 N -2.21 4.13 0.13 1.83 1.01 -1.26 -0.92 120.40 123.10 3lpb s VAL 878 Ca 0.63 1.93 -0.00 0.00 0.00 0.00 0.00 61.98 64.54 3lpb s VAL 878 Cb -0.12 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3lpb s VAL 878 CO 0.20 0.37 0.02 0.68 0.00 0.00 0.00 175.10 176.38 3lpb s VAL 879 N -0.55 0.28 -0.12 2.92 -7.23 0.64 -4.29 120.40 112.05 3lpb s VAL 879 Ca 0.45 -1.91 -0.07 0.00 -1.81 0.00 0.00 61.98 58.64 3lpb s VAL 879 Cb -0.26 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 3lpb s VAL 879 CO 0.33 -0.57 0.14 0.00 -0.31 0.00 0.00 175.10 174.68 3lpb s ALA 880 N -3.92 3.86 -0.13 1.32 0.00 0.04 -1.57 121.76 121.36 3lpb s ALA 880 Ca 0.21 -0.65 -0.00 0.00 0.00 0.00 0.00 51.96 51.52 3lpb s ALA 880 Cb 0.07 -1.97 0.03 0.00 0.00 0.00 0.00 23.12 21.25 3lpb s ALA 880 CO 0.00 0.60 -0.07 0.08 0.00 0.00 0.00 175.76 176.37 3lpb s VAL 881 N -0.97 1.04 -0.13 0.00 1.01 0.07 -0.49 120.40 120.93 3lpb s VAL 881 Ca 0.15 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3lpb s VAL 881 Cb -0.12 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 3lpb s VAL 881 CO 0.04 0.30 0.03 -0.75 0.00 0.00 0.00 175.10 174.71 3lpb s LYS 882 N 1.69 3.46 0.12 2.72 2.20 0.29 -0.33 119.74 129.88 3lpb s LYS 882 Ca 0.04 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.28 3lpb s LYS 882 Cb -0.13 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 3lpb s LYS 882 CO -0.08 0.50 -0.01 -1.59 -0.36 0.00 0.00 175.35 173.81 3lpb s LYS 883 N -0.31 0.89 0.23 4.03 -2.85 0.59 -1.00 119.74 121.33 3lpb s LYS 883 Ca 0.07 -1.39 -0.30 0.00 -1.00 0.00 0.00 55.97 53.35 3lpb s LYS 883 Cb -0.12 -0.05 -0.09 0.00 -2.06 0.00 0.00 37.83 35.52 3lpb s LYS 883 CO 0.02 -0.12 1.17 -0.51 0.10 0.00 0.00 175.35 176.01 3lpb s LEU 884 N -3.06 4.48 0.28 2.77 1.43 -1.26 -0.52 118.68 122.81 3lpb s LEU 884 Ca 0.17 2.28 -0.02 0.00 -1.03 0.00 0.00 54.13 55.53 3lpb s LEU 884 Cb 0.07 -3.62 0.40 0.00 0.03 0.00 0.00 46.19 43.07 3lpb s LEU 884 CO -0.02 -0.30 1.90 1.56 0.23 0.00 0.00 176.35 179.72 3lpb h GLN 885 N 4.59 1.01 -2.62 1.70 4.20 -0.89 -3.42 115.11 119.68 3lpb h GLN 885 Ca -0.46 -0.12 -0.13 0.00 0.06 0.00 0.00 58.65 58.01 3lpb h GLN 885 Cb 1.21 -0.20 -0.28 0.00 0.30 0.00 0.00 27.48 28.51 3lpb h GLN 885 CO 0.71 0.75 -0.39 -1.01 -0.67 0.00 0.00 178.83 178.23 3lpb s HIS 886 N -5.65 -0.67 -0.90 2.96 4.02 -1.26 -5.09 115.29 108.71 3lpb s HIS 886 Ca -0.11 1.35 -0.22 0.00 1.02 0.00 0.00 55.06 57.09 3lpb s HIS 886 Cb 0.17 0.23 0.07 0.00 -1.02 0.00 0.00 32.58 32.03 3lpb s HIS 886 CO 0.80 -0.42 1.25 -1.54 1.02 0.00 0.00 174.74 175.86 3lpb s SER 887 N 2.25 6.44 0.96 1.40 1.04 -1.26 -4.97 113.70 119.56 3lpb s SER 887 Ca -0.03 -1.42 -0.12 0.00 0.48 0.00 0.00 55.95 54.85 3lpb s SER 887 Cb -0.11 -2.49 0.17 0.00 0.10 0.00 0.00 66.02 63.68 3lpb s SER 887 CO -0.12 -1.41 1.10 -0.89 0.98 0.00 0.00 173.24 172.91 3lpb s THR 888 N 4.25 2.16 0.12 2.02 2.01 -1.26 -4.92 115.64 120.03 3lpb s THR 888 Ca 0.37 0.05 -0.07 0.00 0.31 0.00 0.00 61.69 62.35 3lpb s THR 888 Cb -0.05 -2.62 -0.17 0.00 0.01 0.00 0.00 72.50 69.67 3lpb s THR 888 CO -0.03 -0.07 1.31 1.05 -0.69 0.00 0.00 174.62 176.19 3lpb h GLU 889 N -1.73 0.54 0.08 4.92 9.09 -1.98 -1.95 114.58 123.55 3lpb h GLU 889 Ca -0.53 -0.52 -0.00 0.00 0.05 0.00 0.00 59.36 58.36 3lpb h GLU 889 Cb 1.32 0.13 0.00 0.00 -1.65 0.00 0.00 28.75 28.56 3lpb h GLU 889 CO 0.58 1.15 -0.04 1.05 0.05 0.00 0.00 179.01 181.80 3lpb h GLU 890 N 0.33 -0.11 -0.20 1.06 -0.00 -1.99 -1.94 114.58 111.74 3lpb h GLU 890 Ca -0.07 0.01 -0.04 0.00 -0.00 0.00 0.00 59.36 59.26 3lpb h GLU 890 Cb 1.51 0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 30.27 3lpb h GLU 890 CO 0.16 0.13 -0.05 0.45 -0.00 0.00 0.00 179.01 179.71 3lpb h HIS 891 N -0.33 0.30 -0.59 2.06 -0.00 -1.94 -2.04 115.15 112.60 3lpb h HIS 891 Ca -0.01 -0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.24 3lpb h HIS 891 Cb 0.29 -0.09 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 3lpb h HIS 891 CO 0.00 0.35 0.01 1.25 -0.00 0.00 0.00 177.93 179.55 3lpb h LEU 892 N 0.29 1.02 -0.50 2.43 5.85 -1.23 -1.04 115.31 122.12 3lpb h LEU 892 Ca 0.06 -0.30 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 3lpb h LEU 892 Cb 0.28 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3lpb h LEU 892 CO 0.01 1.07 -0.13 -0.09 -0.34 0.00 0.00 178.44 178.96 3lpb h ARG 893 N 0.94 0.97 -0.71 1.25 9.65 -1.02 -0.97 114.38 124.49 3lpb h ARG 893 Ca 0.17 -0.38 -0.01 0.00 -1.10 0.00 0.00 59.98 58.67 3lpb h ARG 893 Cb 0.54 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 29.03 3lpb h ARG 893 CO 0.03 1.05 0.42 -0.44 2.80 0.00 0.00 179.97 183.82 3lpb h ASP 894 N 0.83 0.86 -0.83 -3.80 3.32 -1.30 -2.62 116.42 112.88 3lpb h ASP 894 Ca 0.12 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3lpb h ASP 894 Cb 0.70 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 3lpb h ASP 894 CO 0.05 0.68 0.40 0.15 -1.72 0.00 0.00 179.24 178.81 3lpb h PHE 895 N 0.97 1.20 -0.41 4.55 3.57 -0.84 -0.72 116.94 125.26 3lpb h PHE 895 Ca 0.25 -0.06 -0.06 0.00 3.53 0.00 0.00 57.97 61.64 3lpb h PHE 895 Cb -0.01 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 38.33 3lpb h PHE 895 CO -0.01 0.87 0.02 0.93 -2.23 0.00 0.00 178.31 177.89 3lpb h GLU 896 N 1.19 0.65 -0.34 1.11 5.08 -1.00 -1.09 114.58 120.19 3lpb h GLU 896 Ca 0.29 -0.15 -0.17 0.00 -1.00 0.00 0.00 59.36 58.32 3lpb h GLU 896 Cb 0.12 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3lpb h GLU 896 CO -0.04 0.66 -0.47 0.00 -1.00 0.00 0.00 179.01 178.17 3lpb h ARG 897 N 0.62 0.91 -0.53 2.33 -0.00 -1.00 -2.48 114.38 114.23 3lpb h ARG 897 Ca 0.13 -0.52 0.05 0.00 -0.50 0.00 0.00 59.98 59.13 3lpb h ARG 897 Cb 0.37 0.04 -0.05 0.00 0.00 0.00 0.00 29.97 30.33 3lpb h ARG 897 CO 0.01 1.17 0.27 1.49 0.00 0.00 0.00 179.97 182.91 3lpb h GLU 898 N 0.72 0.51 -0.49 0.04 4.81 -0.71 -0.34 114.58 119.12 3lpb h GLU 898 Ca 0.04 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.26 3lpb h GLU 898 Cb 1.07 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 3lpb h GLU 898 CO 0.11 0.34 0.29 0.82 -0.73 0.00 0.00 179.01 179.84 3lpb h ILE 899 N 0.53 1.04 -0.47 2.32 2.04 -1.15 -0.59 117.51 121.24 3lpb h ILE 899 Ca 0.23 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.90 3lpb h ILE 899 Cb 0.14 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3lpb h ILE 899 CO -0.16 0.10 0.30 -0.33 0.00 0.00 0.00 178.15 178.07 3lpb h GLU 900 N 0.57 0.62 0.03 2.37 4.39 -1.00 -0.14 114.58 121.43 3lpb h GLU 900 Ca 0.20 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.87 3lpb h GLU 900 Cb 0.03 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.51 3lpb h GLU 900 CO -0.09 0.43 -0.14 0.82 -1.16 0.00 0.00 179.01 178.86 3lpb h ILE 901 N 0.63 0.65 -0.49 3.13 2.04 -0.77 -1.73 117.51 120.97 3lpb h ILE 901 Ca 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 3lpb h ILE 901 Cb -0.05 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3lpb h ILE 901 CO -0.04 0.00 0.25 0.25 0.00 0.00 0.00 178.15 178.62 3lpb h LEU 902 N -0.26 0.63 -1.34 1.44 5.85 -0.75 -2.10 115.31 118.77 3lpb h LEU 902 Ca 0.04 -0.11 0.08 0.00 0.84 0.00 0.00 57.88 58.73 3lpb h LEU 902 Cb 0.30 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3lpb h LEU 902 CO -0.12 0.56 0.51 0.50 -0.34 0.00 0.00 178.44 179.56 3lpb h LYS 903 N 0.65 0.73 0.00 1.25 3.64 -0.94 -1.46 116.57 120.45 3lpb h LYS 903 Ca 0.17 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3lpb h LYS 903 Cb 0.09 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3lpb h LYS 903 CO -0.02 0.49 0.00 -1.13 -2.27 0.00 0.00 179.45 176.51 3lpb n SER 904 N -4.50 0.00 -4.68 4.20 3.41 -0.66 -4.74 113.62 106.65 3lpb n SER 904 Ca 0.12 0.48 -0.36 0.00 -0.26 0.00 0.00 58.87 58.85 3lpb n SER 904 Cb 0.29 -0.49 -0.09 0.00 -0.26 0.00 0.00 64.21 63.66 3lpb n SER 904 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3lpb s LEU 905 N -2.99 4.15 -0.25 1.04 1.43 -0.55 -5.05 118.68 116.46 3lpb s LEU 905 Ca 0.11 0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 53.41 3lpb s LEU 905 Cb 0.15 -2.16 0.08 0.00 0.03 0.00 0.00 46.19 44.28 3lpb s LEU 905 CO 0.40 0.08 0.04 -1.10 0.23 0.00 0.00 176.35 176.01 3lpb s GLN 906 N 0.87 0.89 -0.18 1.70 -0.21 -1.26 -4.80 119.66 116.66 3lpb s GLN 906 Ca 0.09 -0.84 -0.26 0.00 0.02 0.00 0.00 55.36 54.38 3lpb s GLN 906 Cb -0.13 -2.18 0.07 0.00 1.00 0.00 0.00 33.01 31.77 3lpb s GLN 906 CO 0.03 -0.78 0.67 -1.58 -2.12 0.00 0.00 175.29 171.51 3lpb s HIS 907 N 1.64 -0.70 0.56 0.91 2.46 -1.26 -5.03 115.29 113.87 3lpb s HIS 907 Ca 0.03 1.57 0.28 0.00 0.47 0.00 0.00 55.06 57.41 3lpb s HIS 907 Cb -0.18 0.30 1.47 0.00 -0.13 0.00 0.00 32.58 34.04 3lpb s HIS 907 CO -0.15 -0.44 1.94 -0.44 -2.47 0.00 0.00 174.74 173.18 3lpb h ASP 908 N 4.38 0.00 -0.50 9.88 3.32 -1.99 -2.07 116.42 129.43 3lpb h ASP 908 Ca -0.28 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.50 3lpb h ASP 908 Cb 1.16 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.55 3lpb h ASP 908 CO 0.18 0.00 0.06 0.59 -1.72 0.00 0.00 179.24 178.35 3lpb n ASN 909 N -4.03 2.87 -3.88 6.45 4.13 -1.26 -4.82 115.26 114.72 3lpb n ASN 909 Ca 0.10 -3.76 -0.19 0.00 1.68 0.00 0.00 54.58 52.41 3lpb n ASN 909 Cb 0.69 -0.68 -0.16 0.00 -1.54 0.00 0.00 39.78 38.09 3lpb n ASN 909 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3lpb s ILE 910 N -3.34 0.44 0.29 2.41 1.01 -0.78 -0.82 121.20 120.42 3lpb s ILE 910 Ca 0.48 -0.08 -0.30 0.00 0.00 0.00 0.00 60.65 60.75 3lpb s ILE 910 Cb 0.43 -0.48 -0.13 0.00 0.01 0.00 0.00 42.46 42.30 3lpb s ILE 910 CO 0.02 0.20 1.41 0.55 0.00 0.00 0.00 174.94 177.11 3lpb n VAL 911 N 3.98 1.39 -2.48 2.92 3.14 -0.57 -4.60 118.33 122.11 3lpb n VAL 911 Ca -0.25 -0.35 -0.42 0.00 -2.96 0.00 0.00 64.34 60.35 3lpb n VAL 911 Cb 0.51 -1.63 -0.03 0.00 -1.06 0.00 0.00 33.84 31.63 3lpb n VAL 911 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3lpb s LYS 912 N -1.04 4.33 0.28 1.45 1.02 -1.26 -4.98 119.74 119.53 3lpb s LYS 912 Ca 0.62 1.64 -0.30 0.00 0.02 0.00 0.00 55.97 57.95 3lpb s LYS 912 Cb -0.58 -3.60 -0.10 0.00 -0.52 0.00 0.00 37.83 33.02 3lpb s LYS 912 CO 0.55 -0.50 1.46 -0.47 -0.92 0.00 0.00 175.35 175.47 3lpb s TYR 913 N 2.49 2.92 -0.06 3.18 5.04 -1.26 -1.75 117.35 127.92 3lpb s TYR 913 Ca 0.55 1.03 0.03 0.00 -2.44 0.00 0.00 57.07 56.23 3lpb s TYR 913 Cb -0.23 -3.88 -0.05 0.00 0.35 0.00 0.00 41.96 38.15 3lpb s TYR 913 CO 0.20 -2.81 -0.02 1.63 -1.34 0.00 0.00 175.55 173.20 3lpb n LYS 914 N 1.97 1.80 -3.71 4.97 5.02 0.54 -4.83 118.16 123.92 3lpb n LYS 914 Ca 0.06 0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3lpb n LYS 914 Cb 0.40 -1.13 0.00 0.00 -0.02 0.00 0.00 35.03 34.27 3lpb n LYS 914 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3lpb n GLY 915 N 2.91 -0.80 3.23 0.72 0.00 -0.90 -4.45 105.19 105.91 3lpb n GLY 915 Ca -0.10 -1.01 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 3lpb n GLY 915 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lpb s VAL 916 N -3.00 1.08 -0.07 1.61 -7.23 -0.58 -0.39 120.40 111.83 3lpb s VAL 916 Ca 0.00 -1.94 -0.00 0.00 -1.81 0.00 0.00 61.98 58.23 3lpb s VAL 916 Cb 0.00 -1.71 0.02 0.00 0.56 0.00 0.00 36.38 35.26 3lpb s VAL 916 CO 0.00 -0.70 -0.04 0.00 -0.31 0.00 0.00 175.10 174.05 3lpb s TYR 918 N 1.51 0.06 -0.54 0.00 -0.85 -1.26 0.23 117.35 116.51 3lpb s TYR 918 Ca -0.01 -0.22 -0.30 0.00 -0.52 0.00 0.00 57.07 56.02 3lpb s TYR 918 Cb -0.13 -0.05 0.05 0.00 0.38 0.00 0.00 41.96 42.20 3lpb s TYR 918 CO -0.04 -0.35 0.65 0.27 -1.52 0.00 0.00 175.55 174.57 3lpb n ASN 924 N 1.11 -5.37 -4.73 -0.18 0.23 -1.26 -4.86 115.26 100.20 3lpb n ASN 924 Ca -0.21 -0.34 -0.41 0.00 -0.53 0.00 0.00 54.58 53.09 3lpb n ASN 924 Cb 0.57 -1.69 -0.04 0.00 -2.08 0.00 0.00 39.78 36.54 3lpb n ASN 924 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 3lpb s LEU 925 N -3.04 4.47 -0.05 -4.53 2.96 -1.26 -5.04 118.68 112.18 3lpb s LEU 925 Ca 0.30 2.03 0.03 0.00 -0.22 0.00 0.00 54.13 56.27 3lpb s LEU 925 Cb -0.03 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3lpb s LEU 925 CO 0.88 -0.24 -0.15 -0.54 -1.32 0.00 0.00 176.35 174.98 3lpb s LYS 926 N -0.06 1.69 -0.19 1.98 1.02 0.14 -4.49 119.74 119.82 3lpb s LYS 926 Ca 0.51 -0.51 -0.16 0.00 0.02 0.00 0.00 55.97 55.82 3lpb s LYS 926 Cb -0.28 -1.44 -0.04 0.00 -0.52 0.00 0.00 37.83 35.55 3lpb s LYS 926 CO 0.33 0.15 0.41 -1.17 -0.92 0.00 0.00 175.35 174.15 3lpb s LEU 927 N 0.27 4.17 -0.20 3.17 2.96 -0.17 -0.89 118.68 128.00 3lpb s LEU 927 Ca -0.08 0.55 -0.06 0.00 -0.22 0.00 0.00 54.13 54.33 3lpb s LEU 927 Cb -0.13 -2.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 3lpb s LEU 927 CO 0.03 -0.07 0.02 -0.63 -1.32 0.00 0.00 176.35 174.38 3lpb s ILE 928 N 1.23 4.17 0.17 6.68 -1.09 0.48 -0.55 121.20 132.30 3lpb s ILE 928 Ca 0.20 -0.24 0.06 0.00 -2.23 0.00 0.00 60.65 58.44 3lpb s ILE 928 Cb -0.15 -2.89 -0.05 0.00 -1.58 0.00 0.00 42.46 37.80 3lpb s ILE 928 CO 0.08 0.43 -0.12 -0.04 -1.23 0.00 0.00 174.94 174.05 3lpb s MET 929 N 0.90 1.19 0.57 2.79 -1.94 0.36 -0.34 119.30 122.82 3lpb s MET 929 Ca 0.02 -1.51 -0.20 0.00 -1.71 0.00 0.00 55.69 52.29 3lpb s MET 929 Cb -0.14 -0.87 -0.06 0.00 2.01 0.00 0.00 34.83 35.78 3lpb s MET 929 CO 0.02 0.13 1.04 -0.85 -0.01 0.00 0.00 175.02 175.35 3lpb n GLU 930 N -0.26 1.09 -3.46 2.03 0.28 -0.72 -0.78 120.64 118.82 3lpb n GLU 930 Ca -0.09 0.41 -0.38 0.00 -0.16 0.00 0.00 57.16 56.94 3lpb n GLU 930 Cb 0.60 -2.22 -0.08 0.00 1.43 0.00 0.00 31.44 31.18 3lpb n GLU 930 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3lpb s TYR 931 N -1.44 3.37 -0.33 -1.84 5.04 -1.26 -4.20 117.35 116.69 3lpb s TYR 931 Ca 0.73 0.53 -0.11 0.00 -2.44 0.00 0.00 57.07 55.77 3lpb s TYR 931 Cb -0.44 -2.45 -0.01 0.00 0.35 0.00 0.00 41.96 39.41 3lpb s TYR 931 CO 0.49 0.03 0.20 -0.51 -1.34 0.00 0.00 175.55 174.42 3lpb s LEU 932 N 1.18 4.36 0.36 6.97 1.43 -1.26 -4.99 118.68 126.72 3lpb s LEU 932 Ca 0.16 -0.48 0.27 0.00 -1.03 0.00 0.00 54.13 53.05 3lpb s LEU 932 Cb -0.14 -2.08 1.01 0.00 0.03 0.00 0.00 46.19 45.00 3lpb s LEU 932 CO 0.07 -0.22 1.80 1.55 0.23 0.00 0.00 176.35 179.77 3lpb h PRO 933 N 8.43 0.00 -0.12 1.29 0.13 -1.77 -2.66 132.00 137.30 3lpb h PRO 933 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3lpb h PRO 933 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3lpb h PRO 933 CO 0.63 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.06 3lpb n TYR 934 N -2.59 0.14 -4.20 1.56 4.01 -1.02 -5.06 117.16 110.00 3lpb n TYR 934 Ca 0.02 -0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.69 3lpb n TYR 934 Cb 0.32 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 3lpb n TYR 934 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lpb n GLY 935 N 1.23 -0.97 3.77 2.72 0.00 -1.01 -4.65 105.19 106.29 3lpb n GLY 935 Ca 0.17 -1.21 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 3lpb n GLY 935 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3lpb s SER 936 N -4.00 5.93 0.30 1.61 0.15 -1.26 -0.20 113.70 116.23 3lpb s SER 936 Ca 0.00 2.34 -0.01 0.00 0.70 0.00 0.00 55.95 58.97 3lpb s SER 936 Cb 0.00 -2.60 0.44 0.00 -1.71 0.00 0.00 66.02 62.15 3lpb s SER 936 CO 0.00 -1.08 1.92 0.25 1.20 0.00 0.00 173.24 175.53 3lpb h LEU 937 N 1.76 0.87 -0.51 3.45 5.85 -0.39 -1.12 115.31 125.22 3lpb h LEU 937 Ca -0.50 -0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.24 3lpb h LEU 937 Cb 1.26 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 3lpb h LEU 937 CO 0.59 0.70 0.12 -0.09 -0.34 0.00 0.00 178.44 179.42 3lpb h ARG 938 N 0.98 0.26 0.11 1.25 2.43 -1.76 -0.22 114.38 117.44 3lpb h ARG 938 Ca 0.25 -0.02 -0.28 0.00 -0.81 0.00 0.00 59.98 59.12 3lpb h ARG 938 Cb 0.02 -0.06 0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3lpb h ARG 938 CO -0.04 0.17 -1.18 -0.44 -1.51 0.00 0.00 179.97 176.97 3lpb h ASP 939 N 0.26 0.84 -0.30 -3.80 3.32 -1.87 -3.10 116.42 111.77 3lpb h ASP 939 Ca 0.25 -0.83 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 3lpb h ASP 939 Cb 0.33 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3lpb h ASP 939 CO -0.32 1.58 0.15 0.22 -1.72 0.00 0.00 179.24 179.15 3lpb h TYR 940 N 0.21 0.42 -0.08 4.55 3.20 -1.09 -1.40 116.97 122.77 3lpb h TYR 940 Ca -0.18 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.67 3lpb h TYR 940 Cb 1.86 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 39.99 3lpb h TYR 940 CO 0.12 0.38 0.05 1.25 -1.64 0.00 0.00 178.16 178.32 3lpb h LEU 941 N 0.35 0.10 -0.81 2.82 5.85 -1.14 -0.24 115.31 122.24 3lpb h LEU 941 Ca 0.10 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3lpb h LEU 941 Cb 0.11 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 3lpb h LEU 941 CO -0.01 0.09 0.50 -0.61 -0.34 0.00 0.00 178.44 178.07 3lpb h GLN 942 N 0.09 0.90 -0.18 1.25 4.15 -1.47 0.13 115.11 120.00 3lpb h GLN 942 Ca 0.03 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.28 3lpb h GLN 942 Cb 0.01 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3lpb h GLN 942 CO -0.01 0.60 -0.39 -0.22 -1.93 0.00 0.00 178.83 176.88 3lpb h LYS 943 N 0.93 0.39 -0.14 1.69 1.63 -0.94 -3.30 116.57 116.82 3lpb h LYS 943 Ca 0.35 -0.19 -0.04 0.00 -0.85 0.00 0.00 60.65 59.92 3lpb h LYS 943 Cb 0.13 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.73 3lpb h LYS 943 CO -0.16 0.73 -0.12 0.72 -3.45 0.00 0.00 179.45 177.17 3lpb n HIS 944 N -4.03 0.47 -0.22 1.91 8.25 -0.13 -4.80 115.22 116.66 3lpb n HIS 944 Ca -0.01 -1.22 0.11 0.00 -0.26 0.00 0.00 57.72 56.34 3lpb n HIS 944 Cb 0.49 -0.29 0.40 0.00 1.12 0.00 0.00 29.99 31.71 3lpb n HIS 944 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 3lpb h LYS 945 N 0.86 0.62 0.00 -0.41 2.10 -1.06 0.12 116.57 118.80 3lpb h LYS 945 Ca 0.05 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3lpb h LYS 945 Cb 1.26 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 3lpb h LYS 945 CO 0.14 0.41 0.00 0.39 -2.00 0.00 0.00 179.45 178.40 3lpb n GLU 946 N -4.52 0.16 0.00 0.07 1.02 -1.26 -2.95 120.64 113.16 3lpb n GLU 946 Ca 0.15 0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3lpb n GLU 946 Cb 0.43 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 3lpb n GLU 946 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3lpb n ARG 947 N -1.40 1.50 -4.06 3.49 1.74 0.38 -4.98 116.66 113.34 3lpb n ARG 947 Ca 0.08 -1.09 -0.33 0.00 -0.77 0.00 0.00 57.85 55.74 3lpb n ARG 947 Cb 0.23 -0.96 -0.15 0.00 -1.02 0.00 0.00 32.46 30.56 3lpb n ARG 947 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3lpb s ILE 948 N -0.61 2.26 0.68 0.55 1.01 -0.90 -5.11 121.20 119.08 3lpb s ILE 948 Ca 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 60.65 59.22 3lpb s ILE 948 Cb 0.00 -2.24 0.10 0.00 0.01 0.00 0.00 42.46 40.33 3lpb s ILE 948 CO 0.00 0.11 0.94 1.51 0.00 0.00 0.00 174.94 177.50 3lpb s ASP 949 N 1.17 4.62 0.33 3.58 1.47 -1.26 -4.90 116.67 121.68 3lpb s ASP 949 Ca -0.05 -0.18 0.01 0.00 1.18 0.00 0.00 52.55 53.51 3lpb s ASP 949 Cb -0.18 -0.35 0.55 0.00 -0.34 0.00 0.00 42.92 42.60 3lpb s ASP 949 CO -0.06 -1.66 1.97 0.45 0.68 0.00 0.00 175.17 176.55 3lpb h HIS 950 N -0.39 0.86 -0.89 2.11 3.86 -1.99 -1.16 115.15 117.54 3lpb h HIS 950 Ca -0.39 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.80 3lpb h HIS 950 Cb 1.28 -0.28 -0.04 0.00 1.06 0.00 0.00 27.41 29.42 3lpb h HIS 950 CO -0.01 0.57 0.47 0.82 0.86 0.00 0.00 177.93 180.64 3lpb h ILE 951 N 0.90 1.26 -0.31 2.45 2.04 -1.97 -1.38 117.51 120.50 3lpb h ILE 951 Ca 0.24 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.31 3lpb h ILE 951 Cb -0.04 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.11 3lpb h ILE 951 CO -0.04 0.30 -0.30 0.50 0.00 0.00 0.00 178.15 178.60 3lpb h LYS 952 N 1.25 0.66 -0.35 2.37 1.63 -1.63 -1.96 116.57 118.54 3lpb h LYS 952 Ca 0.31 -0.29 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 3lpb h LYS 952 Cb 0.05 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 3lpb h LYS 952 CO -0.05 0.88 -0.02 -0.07 -3.45 0.00 0.00 179.45 176.74 3lpb h LEU 953 N 0.57 0.53 -0.56 5.20 3.38 -0.56 -2.27 115.31 121.61 3lpb h LEU 953 Ca 0.07 -0.11 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3lpb h LEU 953 Cb 0.80 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3lpb h LEU 953 CO 0.07 0.62 -0.66 -0.07 0.09 0.00 0.00 178.44 178.49 3lpb h LEU 954 N 0.53 0.33 -0.40 1.67 3.38 -1.16 0.14 115.31 119.81 3lpb h LEU 954 Ca 0.11 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.89 3lpb h LEU 954 Cb 0.38 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3lpb h LEU 954 CO 0.02 0.89 0.24 -0.61 0.09 0.00 0.00 178.44 179.07 3lpb h GLN 955 N 0.20 0.47 -0.46 1.13 4.15 -1.00 -0.13 115.11 119.48 3lpb h GLN 955 Ca -0.01 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 3lpb h GLN 955 Cb 1.19 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 3lpb h GLN 955 CO 0.10 0.31 0.13 1.88 -1.93 0.00 0.00 178.83 179.33 3lpb h TYR 956 N 0.49 0.75 -0.52 3.99 0.05 -1.13 -2.29 116.97 118.31 3lpb h TYR 956 Ca 0.16 -0.08 0.05 0.00 0.05 0.00 0.00 58.73 58.90 3lpb h TYR 956 Cb -0.01 -0.21 -0.05 0.00 1.01 0.00 0.00 36.73 37.47 3lpb h TYR 956 CO -0.07 0.68 0.26 1.15 -1.05 0.00 0.00 178.16 179.13 3lpb h THR 957 N 0.61 0.94 -0.38 -2.88 2.02 -0.56 -0.75 112.91 111.90 3lpb h THR 957 Ca 0.15 -0.17 0.02 0.00 0.77 0.00 0.00 66.41 67.18 3lpb h THR 957 Cb 0.29 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.08 3lpb h THR 957 CO -0.00 0.09 0.21 -1.28 0.37 0.00 0.00 175.52 174.91 3lpb h SER 958 N 0.50 0.33 -0.77 4.18 0.87 -0.95 -0.90 113.55 116.82 3lpb h SER 958 Ca 0.23 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 3lpb h SER 958 Cb 0.15 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.02 3lpb h SER 958 CO -0.17 0.24 0.39 1.56 -0.53 0.00 0.00 176.83 178.32 3lpb h GLN 959 N 0.43 1.09 -0.38 2.24 4.20 -0.86 -1.83 115.11 120.00 3lpb h GLN 959 Ca 0.16 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3lpb h GLN 959 Cb 0.03 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3lpb h GLN 959 CO -0.09 0.84 0.18 0.82 -0.67 0.00 0.00 178.83 179.91 3lpb h ILE 960 N 1.07 1.17 -0.77 2.54 2.04 -0.80 -1.17 117.51 121.60 3lpb h ILE 960 Ca 0.27 -0.49 0.06 0.00 1.00 0.00 0.00 64.86 65.69 3lpb h ILE 960 Cb 0.09 0.80 -0.06 0.00 -0.74 0.00 0.00 36.82 36.91 3lpb h ILE 960 CO -0.04 0.18 0.46 0.00 0.00 0.00 0.00 178.15 178.76 3lpb h LYS 962 N 0.86 0.88 -0.54 0.00 1.57 -1.14 0.14 116.57 118.34 3lpb h LYS 962 Ca 0.33 -0.33 0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3lpb h LYS 962 Cb 0.15 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3lpb h LYS 962 CO -0.16 0.97 0.29 0.78 -0.57 0.00 0.00 179.45 180.76 3lpb h GLY 963 N 0.72 0.76 1.22 3.86 0.00 -0.96 -2.02 103.07 106.65 3lpb h GLY 963 Ca 0.12 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 3lpb h GLY 963 CO 0.04 0.15 -0.27 -0.33 0.00 0.00 0.00 176.54 176.13 3lpb h MET 964 N 0.57 0.88 -0.93 4.80 2.86 -0.79 -2.06 114.93 120.26 3lpb h MET 964 Ca 0.23 -0.40 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3lpb h MET 964 Cb 0.11 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 31.70 3lpb h MET 964 CO -0.14 1.05 0.62 1.49 1.06 0.00 0.00 176.91 180.98 3lpb h GLU 965 N 0.75 1.22 -0.67 1.72 4.57 -0.63 -1.16 114.58 120.37 3lpb h GLU 965 Ca 0.09 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3lpb h GLU 965 Cb 0.83 -0.28 -0.03 0.00 -0.16 0.00 0.00 28.75 29.12 3lpb h GLU 965 CO 0.07 0.81 0.31 -0.92 -1.18 0.00 0.00 179.01 178.10 3lpb h TYR 966 N 1.26 0.98 -0.39 0.92 3.20 -1.10 -1.73 116.97 120.11 3lpb h TYR 966 Ca 0.34 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.20 3lpb h TYR 966 Cb -0.14 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 37.80 3lpb h TYR 966 CO -0.01 0.74 0.18 -0.07 -1.64 0.00 0.00 178.16 177.36 3lpb h LEU 967 N 0.94 0.24 -1.15 2.82 3.38 -0.85 -2.33 115.31 118.35 3lpb h LEU 967 Ca 0.23 0.03 0.22 0.00 0.09 0.00 0.00 57.88 58.45 3lpb h LEU 967 Cb 0.14 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 40.77 3lpb h LEU 967 CO -0.03 0.18 0.62 1.23 0.09 0.00 0.00 178.44 180.53 3lpb h GLY 968 N 0.36 1.57 2.00 0.83 0.00 -0.54 0.69 103.07 107.97 3lpb h GLY 968 Ca 0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.20 3lpb h GLY 968 CO -0.14 -0.11 -0.01 -0.91 0.00 0.00 0.00 176.54 175.37 3lpb h THR 969 N 0.60 0.05 -0.39 4.70 1.35 -0.76 -0.48 112.91 117.99 3lpb h THR 969 Ca 0.58 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 3lpb h THR 969 Cb 1.13 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 3lpb h THR 969 CO -0.35 0.01 0.00 0.29 -0.25 0.00 0.00 175.52 175.22 3lpb n LYS 970 N -3.13 2.47 -2.50 4.72 5.02 0.16 -4.94 118.16 119.96 3lpb n LYS 970 Ca -0.01 -2.27 -0.20 0.00 -2.02 0.00 0.00 58.31 53.82 3lpb n LYS 970 Cb 0.23 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 3lpb n LYS 970 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3lpb n ARG 971 N 1.44 -2.24 -3.34 1.97 1.74 -0.19 -4.85 116.66 111.19 3lpb n ARG 971 Ca 0.19 0.92 -0.38 0.00 -0.77 0.00 0.00 57.85 57.80 3lpb n ARG 971 Cb 0.59 -5.53 -0.06 0.00 -1.02 0.00 0.00 32.46 26.44 3lpb n ARG 971 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3lpb s TYR 972 N -3.01 3.75 -0.23 -1.55 2.02 -0.75 -0.93 117.35 116.66 3lpb s TYR 972 Ca 0.06 1.15 -0.03 0.00 -0.37 0.00 0.00 57.07 57.89 3lpb s TYR 972 Cb -0.03 -2.44 0.01 0.00 -0.40 0.00 0.00 41.96 39.10 3lpb s TYR 972 CO 0.08 0.56 -0.06 0.42 -1.57 0.00 0.00 175.55 174.98 3lpb s ILE 973 N -0.91 3.07 0.04 2.71 -1.09 0.19 -4.04 121.20 121.17 3lpb s ILE 973 Ca 0.27 -0.74 -0.21 0.00 -2.23 0.00 0.00 60.65 57.74 3lpb s ILE 973 Cb -0.18 -2.45 -0.14 0.00 -1.58 0.00 0.00 42.46 38.10 3lpb s ILE 973 CO 0.16 0.34 1.36 -0.74 -1.23 0.00 0.00 174.94 174.83 3lpb h HIS 974 N 8.07 0.37 0.00 3.97 2.76 -1.89 -0.60 115.15 127.82 3lpb h HIS 974 Ca -0.39 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 3lpb h HIS 974 Cb 1.14 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.02 3lpb h HIS 974 CO 0.57 0.69 0.00 0.54 -1.30 0.00 0.00 177.93 178.43 3lpb n ARG 975 N -4.61 -0.58 -1.98 5.26 1.74 -1.26 -2.96 116.66 112.26 3lpb n ARG 975 Ca -0.06 0.14 -0.01 0.00 -0.77 0.00 0.00 57.85 57.15 3lpb n ARG 975 Cb 0.33 -3.82 0.03 0.00 -1.02 0.00 0.00 32.46 27.98 3lpb n ARG 975 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3lpb n ASP 976 N -0.29 0.17 -4.67 0.55 2.03 -1.26 -4.99 116.55 108.10 3lpb n ASP 976 Ca 0.00 -2.05 -0.42 0.00 0.52 0.00 0.00 54.79 52.84 3lpb n ASP 976 Cb 0.14 -0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 3lpb n ASP 976 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3lpb s LEU 977 N -1.87 4.31 -0.16 -2.67 1.43 -1.26 -4.79 118.68 113.66 3lpb s LEU 977 Ca 0.19 2.18 -0.29 0.00 -1.03 0.00 0.00 54.13 55.18 3lpb s LEU 977 Cb 0.29 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 43.08 3lpb s LEU 977 CO -0.09 -0.88 0.89 0.00 0.23 0.00 0.00 176.35 176.50 3lpb s ALA 978 N 3.70 -1.88 0.57 4.21 0.00 -1.26 -4.76 121.76 122.34 3lpb s ALA 978 Ca 0.70 1.60 0.26 0.00 0.00 0.00 0.00 51.96 54.53 3lpb s ALA 978 Cb -0.32 -0.68 1.62 0.00 0.00 0.00 0.00 23.12 23.73 3lpb s ALA 978 CO 0.28 -0.32 2.15 1.79 0.00 0.00 0.00 175.76 179.66 3lpb h THR 979 N 2.99 0.60 0.00 0.00 1.35 -1.92 -0.35 112.91 115.58 3lpb h THR 979 Ca -0.23 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.61 3lpb h THR 979 Cb 1.16 0.91 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3lpb h THR 979 CO 0.27 0.00 -0.06 0.08 -0.25 0.00 0.00 175.52 175.57 3lpb h ARG 980 N 0.00 0.00 -0.36 4.72 0.11 -1.95 -2.11 114.38 114.80 3lpb h ARG 980 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 3lpb h ARG 980 Cb 0.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.37 3lpb h ARG 980 CO -0.00 0.06 0.00 0.09 0.10 0.00 0.00 179.97 180.22 3lpb n ASN 981 N -3.64 2.87 -4.65 0.08 3.02 -0.15 -4.82 115.26 107.97 3lpb n ASN 981 Ca -0.02 -1.92 -0.35 0.00 -0.03 0.00 0.00 54.58 52.26 3lpb n ASN 981 Cb 0.16 -0.23 -0.10 0.00 -0.61 0.00 0.00 39.78 39.00 3lpb n ASN 981 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3lpb s ILE 982 N -1.54 4.57 0.19 2.41 -1.09 -0.80 -0.62 121.20 124.31 3lpb s ILE 982 Ca 0.37 -0.13 0.08 0.00 -2.23 0.00 0.00 60.65 58.74 3lpb s ILE 982 Cb 0.21 -3.00 -0.04 0.00 -1.58 0.00 0.00 42.46 38.04 3lpb s ILE 982 CO 0.29 0.53 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.71 3lpb s LEU 983 N -0.16 3.11 -0.29 2.97 1.43 0.33 0.17 118.68 126.25 3lpb s LEU 983 Ca 0.06 -0.53 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 3lpb s LEU 983 Cb -0.12 -1.76 0.02 0.00 0.03 0.00 0.00 46.19 44.35 3lpb s LEU 983 CO 0.02 0.09 0.04 -0.69 0.23 0.00 0.00 176.35 176.04 3lpb s VAL 984 N -1.78 3.65 -0.05 -1.59 1.01 0.72 -0.92 120.40 121.45 3lpb s VAL 984 Ca 0.26 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.19 3lpb s VAL 984 Cb -0.09 -2.89 -0.26 0.00 0.00 0.00 0.00 36.38 33.14 3lpb s VAL 984 CO 0.17 0.09 0.97 -0.08 0.00 0.00 0.00 175.10 176.24 3lpb h GLU 985 N 8.17 0.23 0.00 2.72 4.81 -1.48 -2.72 114.58 126.31 3lpb h GLU 985 Ca -0.31 -0.31 -0.11 0.00 -0.13 0.00 0.00 59.36 58.50 3lpb h GLU 985 Cb 1.12 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.58 3lpb h GLU 985 CO 0.59 1.07 0.10 0.27 -0.73 0.00 0.00 179.01 180.31 3lpb n ASN 986 N -4.35 -1.77 0.31 1.04 0.23 -1.12 -4.41 115.26 105.19 3lpb n ASN 986 Ca -0.11 -2.56 0.20 0.00 -0.53 0.00 0.00 54.58 51.58 3lpb n ASN 986 Cb 0.63 3.04 0.97 0.00 -2.08 0.00 0.00 39.78 42.34 3lpb n ASN 986 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3lpb h GLU 987 N 0.00 0.00 -0.52 -3.83 4.11 -2.04 -2.49 114.58 109.81 3lpb h GLU 987 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.15 3lpb h GLU 987 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3lpb h GLU 987 CO 0.37 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.54 3lpb n ASN 988 N -3.10 3.45 -3.65 3.06 3.02 -1.26 -4.97 115.26 111.81 3lpb n ASN 988 Ca -0.01 -1.97 -0.06 0.00 -0.03 0.00 0.00 54.58 52.50 3lpb n ASN 988 Cb 0.18 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 38.93 3lpb n ASN 988 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3lpb s ARG 989 N -1.09 0.39 0.32 3.52 6.06 -0.94 -5.00 118.95 122.22 3lpb s ARG 989 Ca 0.37 1.14 0.09 0.00 -2.50 0.00 0.00 55.73 54.84 3lpb s ARG 989 Cb 0.20 0.47 -0.05 0.00 0.06 0.00 0.00 34.95 35.63 3lpb s ARG 989 CO 0.27 -0.24 0.01 0.14 -2.50 0.00 0.00 175.30 172.98 3lpb s VAL 990 N 2.69 2.85 -0.05 7.11 -7.23 -1.26 -1.22 120.40 123.29 3lpb s VAL 990 Ca -0.03 -1.95 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 3lpb s VAL 990 Cb -0.12 -2.80 0.01 0.00 0.56 0.00 0.00 36.38 34.04 3lpb s VAL 990 CO -0.14 -0.25 0.16 -0.54 -0.31 0.00 0.00 175.10 174.02 3lpb s LYS 991 N -3.71 0.24 0.05 4.82 1.02 -0.09 -4.54 119.74 117.53 3lpb s LYS 991 Ca 0.34 0.13 -0.31 0.00 0.02 0.00 0.00 55.97 56.16 3lpb s LYS 991 Cb -0.02 0.11 -0.07 0.00 -0.52 0.00 0.00 37.83 37.33 3lpb s LYS 991 CO 0.20 -0.04 1.50 0.42 -0.92 0.00 0.00 175.35 176.51 3lpb s ILE 992 N -0.13 3.33 -0.25 2.17 1.01 0.00 -0.51 121.20 126.82 3lpb s ILE 992 Ca -0.02 0.80 0.02 0.00 0.00 0.00 0.00 60.65 61.45 3lpb s ILE 992 Cb -0.02 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.97 3lpb s ILE 992 CO 0.00 0.01 0.74 0.61 0.00 0.00 0.00 174.94 176.31 3lpb n GLY 993 N 3.76 0.21 3.26 6.18 0.00 0.20 -1.51 105.19 117.29 3lpb n GLY 993 Ca 0.14 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 3lpb n GLY 993 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lpb s ASP 994 N -0.47 -0.38 -0.09 1.61 2.15 -1.23 -4.92 116.67 113.33 3lpb s ASP 994 Ca 0.03 0.72 0.14 0.00 0.43 0.00 0.00 52.55 53.88 3lpb s ASP 994 Cb 0.02 0.74 0.29 0.00 -0.30 0.00 0.00 42.92 43.67 3lpb s ASP 994 CO 0.03 -0.14 1.14 0.49 -0.17 0.00 0.00 175.17 176.52 3lpb n PHE 995 N 2.82 0.00 0.01 -5.34 3.01 -1.26 -4.88 117.46 111.83 3lpb n PHE 995 Ca -0.13 -0.80 0.18 0.00 1.01 0.00 0.00 57.45 57.71 3lpb n PHE 995 Cb 0.57 -0.15 0.66 0.00 -0.01 0.00 0.00 39.48 40.55 3lpb n PHE 995 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3lpb h GLY 996 N 0.47 0.09 -1.38 1.37 0.00 -1.96 -2.20 103.07 99.46 3lpb h GLY 996 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3lpb h GLY 996 CO 0.02 0.01 0.00 1.04 0.00 0.00 0.00 176.54 177.61 3lpb n LEU 997 N -4.41 2.79 -4.73 3.11 4.77 -1.26 -5.01 117.00 112.26 3lpb n LEU 997 Ca 0.08 -1.68 -0.42 0.00 -0.03 0.00 0.00 56.01 53.97 3lpb n LEU 997 Cb 0.52 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3lpb n LEU 997 CO 0.36 0.65 0.97 -0.89 -1.33 0.00 0.00 177.39 177.15 3lpb s THR 998 N -1.04 3.42 0.25 -5.08 2.01 -0.83 -4.63 115.64 109.75 3lpb s THR 998 Ca 0.24 1.12 0.11 0.00 0.31 0.00 0.00 61.69 63.47 3lpb s THR 998 Cb 0.13 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 3lpb s THR 998 CO 0.18 0.14 -0.20 -0.54 -0.69 0.00 0.00 174.62 173.52 3lpb s LYS 999 N 0.31 1.59 -0.19 4.92 -0.14 -0.23 -4.90 119.74 121.09 3lpb s LYS 999 Ca 0.58 -1.70 -0.08 0.00 -1.36 0.00 0.00 55.97 53.41 3lpb s LYS 999 Cb -0.35 -1.66 -0.04 0.00 -1.68 0.00 0.00 37.83 34.09 3lpb s LYS 999 CO 0.35 0.31 0.09 0.08 -0.76 0.00 0.00 175.35 175.42 3lpb s VAL 1000N -2.46 5.03 0.46 3.17 1.01 -1.26 -0.64 120.40 125.71 3lpb s VAL 1000Ca 0.27 0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.06 3lpb s VAL 1000Cb -0.05 -3.28 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 3lpb s VAL 1000CO 0.13 0.45 1.33 -0.76 0.00 0.00 0.00 175.10 176.25 3lpb s LEU 1001N 0.40 4.08 0.73 3.92 1.43 -0.10 -4.97 118.68 124.17 3lpb s LEU 1001Ca 0.05 2.71 -0.16 0.00 -1.03 0.00 0.00 54.13 55.71 3lpb s LEU 1001Cb -0.12 -4.04 0.01 0.00 0.03 0.00 0.00 46.19 42.08 3lpb s LEU 1001CO -0.00 -1.11 1.00 -2.65 0.23 0.00 0.00 176.35 173.81 3lpb n PRO 1002N -0.30 0.49 0.11 1.29 -0.02 -1.26 -4.87 135.00 130.45 3lpb n PRO 1002Ca 0.06 0.23 0.18 0.00 -2.02 0.00 0.00 63.50 61.95 3lpb n PRO 1002Cb 0.44 -2.26 0.75 0.00 -0.02 0.00 0.00 33.50 32.41 3lpb n PRO 1002CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3lpb h GLN 1003N -0.30 0.00 -0.14 -0.52 -0.00 -2.01 -3.17 115.11 108.97 3lpb h GLN 1003Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.18 3lpb h GLN 1003Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.81 3lpb h GLN 1003CO 0.47 0.00 0.00 -0.40 -0.00 0.00 0.00 178.83 178.90 3lpb n ASP 1004N -4.03 2.43 -4.10 0.06 5.75 -1.26 -5.02 116.55 110.39 3lpb n ASP 1004Ca 0.05 -2.08 -0.09 0.00 -0.01 0.00 0.00 54.79 52.66 3lpb n ASP 1004Cb 0.48 -0.13 -0.10 0.00 -1.03 0.00 0.00 41.12 40.34 3lpb n ASP 1004CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3lpb s LYS 1005N -1.14 0.63 -0.22 0.11 -0.14 -1.20 -5.28 119.74 112.50 3lpb s LYS 1005Ca 0.12 -1.10 0.15 0.00 -1.36 0.00 0.00 55.97 53.77 3lpb s LYS 1005Cb 0.07 -0.02 0.80 0.00 -1.68 0.00 0.00 37.83 37.00 3lpb s LYS 1005CO 0.06 -0.05 1.72 0.39 -0.76 0.00 0.00 175.35 176.72 3lpb n GLU 1006N 0.47 4.67 -3.68 1.68 -0.58 -1.26 -4.46 120.64 117.49 3lpb n GLU 1006Ca -0.16 -3.12 -0.10 0.00 -0.42 0.00 0.00 57.16 53.36 3lpb n GLU 1006Cb 0.59 -2.21 -0.10 0.00 -0.57 0.00 0.00 31.44 29.16 3lpb n GLU 1006CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 3lpb s LYS 1009N -2.68 0.44 -0.13 3.49 1.02 -1.26 -4.47 119.74 116.15 3lpb s LYS 1009Ca 0.54 0.89 -0.20 0.00 0.02 0.00 0.00 55.97 57.22 3lpb s LYS 1009Cb 0.40 0.04 0.05 0.00 -0.52 0.00 0.00 37.83 37.81 3lpb s LYS 1009CO 0.17 -0.17 0.51 0.54 -0.92 0.00 0.00 175.35 175.48 3lpb s VAL 1010N 1.57 0.01 -0.21 3.17 0.11 -0.76 -5.02 120.40 119.28 3lpb s VAL 1010Ca -0.09 -0.09 -0.04 0.00 -2.93 0.00 0.00 61.98 58.83 3lpb s VAL 1010Cb -0.08 -0.75 0.07 0.00 -1.53 0.00 0.00 36.38 34.09 3lpb s VAL 1010CO -0.14 -0.05 0.09 -0.75 -3.33 0.00 0.00 175.10 170.92 3lpb s LYS 1011N -0.30 0.21 0.15 1.54 2.47 -1.26 -4.78 119.74 117.76 3lpb s LYS 1011Ca -0.05 -0.29 0.02 0.00 -1.56 0.00 0.00 55.97 54.09 3lpb s LYS 1011Cb -0.03 -1.70 -0.04 0.00 -1.46 0.00 0.00 37.83 34.60 3lpb s LYS 1011CO 0.03 -0.77 0.28 -1.21 0.16 0.00 0.00 175.35 173.84 3lpb s GLU 1012N 2.07 3.44 0.53 4.03 2.02 -1.26 -5.09 118.70 124.43 3lpb s GLU 1012Ca 0.04 -0.59 -0.19 0.00 0.02 0.00 0.00 54.97 54.25 3lpb s GLU 1012Cb -0.16 -2.97 -0.06 0.00 0.10 0.00 0.00 34.13 31.04 3lpb s GLU 1012CO -0.17 0.52 1.07 -2.14 0.02 0.00 0.00 175.26 174.56 3lpb s PRO 1013N -3.21 3.54 0.00 0.39 0.02 -1.26 -4.94 135.00 129.53 3lpb s PRO 1013Ca 0.35 1.39 0.00 0.00 0.02 0.00 0.00 61.00 62.75 3lpb s PRO 1013Cb -0.11 -2.05 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3lpb s PRO 1013CO 0.28 -0.65 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 3lpb n GLY 1014N -0.33 1.96 3.63 0.52 0.00 -1.26 -4.98 105.19 104.72 3lpb n GLY 1014Ca 0.10 -2.16 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 3lpb n GLY 1014CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3lpb s GLU 1015N -1.60 3.99 0.32 1.61 8.01 -1.26 -5.03 118.70 124.74 3lpb s GLU 1015Ca 0.00 0.98 -0.26 0.00 0.01 0.00 0.00 54.97 55.69 3lpb s GLU 1015Cb 0.00 -3.78 -0.10 0.00 -4.31 0.00 0.00 34.13 25.95 3lpb s GLU 1015CO 0.00 -1.01 0.97 -1.12 0.01 0.00 0.00 175.26 174.11 3lpb s SER 1016N 1.86 7.29 -1.30 -0.19 0.01 -1.26 -4.96 113.70 115.16 3lpb s SER 1016Ca 0.46 1.91 -0.14 0.00 1.31 0.00 0.00 55.95 59.49 3lpb s SER 1016Cb -0.11 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 3lpb s SER 1016CO 0.19 -0.10 2.28 -0.81 0.41 0.00 0.00 173.24 175.21 3lpb n PRO 1017N 0.63 2.65 0.05 12.44 -0.04 -1.26 -4.77 135.00 144.70 3lpb n PRO 1017Ca 0.02 -2.28 0.19 0.00 -0.04 0.00 0.00 63.50 61.39 3lpb n PRO 1017Cb 0.49 -3.06 0.71 0.00 -0.04 0.00 0.00 33.50 31.60 3lpb n PRO 1017CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 3lpb h ILE 1018N 3.89 0.69 0.00 0.52 3.07 -1.97 -1.57 117.51 122.14 3lpb h ILE 1018Ca 0.59 0.00 0.00 0.00 1.55 0.00 0.00 64.86 67.00 3lpb h ILE 1018Cb 0.55 0.76 0.00 0.00 -0.27 0.00 0.00 36.82 37.86 3lpb h ILE 1018CO 1.85 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 179.44 3lpb n PHE 1019N -4.26 0.00 0.63 0.16 3.72 -1.26 -1.98 117.46 114.47 3lpb n PHE 1019Ca 0.08 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.55 3lpb n PHE 1019Cb 0.53 -0.23 0.02 0.00 -0.94 0.00 0.00 39.48 38.86 3lpb n PHE 1019CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3lpb n TRP 1020N -1.23 0.00 -2.77 1.38 8.01 -0.59 -4.88 117.44 117.36 3lpb n TRP 1020Ca 0.15 0.00 -0.39 0.00 -1.31 0.00 0.00 57.50 55.95 3lpb n TRP 1020Cb 0.20 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.44 3lpb n TRP 1020CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3lpb s TYR 1021N -1.60 3.89 0.61 -5.99 1.51 -0.84 -4.11 117.35 110.82 3lpb s TYR 1021Ca 0.13 1.86 -0.17 0.00 -1.01 0.00 0.00 57.07 57.88 3lpb s TYR 1021Cb 0.12 -2.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.00 3lpb s TYR 1021CO 0.31 0.38 1.15 0.00 -1.11 0.00 0.00 175.55 176.28 3lpb s ALA 1022N -1.32 2.53 0.26 3.71 0.00 -1.26 -4.85 121.76 120.81 3lpb s ALA 1022Ca 0.44 0.77 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 3lpb s ALA 1022Cb -0.23 -3.37 0.44 0.00 0.00 0.00 0.00 23.12 19.96 3lpb s ALA 1022CO 0.29 -1.14 1.82 -1.35 0.00 0.00 0.00 175.76 175.38 3lpb h PRO 1023N 0.57 0.84 0.00 0.00 0.11 -1.93 -0.68 132.00 130.90 3lpb h PRO 1023Ca -0.49 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.55 3lpb h PRO 1023Cb 1.27 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 3lpb h PRO 1023CO 0.55 0.55 -0.09 1.05 -0.21 0.00 0.00 178.00 179.85 3lpb h GLU 1024N 0.86 0.00 -0.20 1.05 9.09 -1.92 0.22 114.58 123.68 3lpb h GLU 1024Ca 0.43 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.65 3lpb h GLU 1024Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.50 3lpb h GLU 1024CO -0.25 0.09 -0.65 0.77 0.05 0.00 0.00 179.01 179.02 3lpb h SER 1025N 0.00 0.85 -0.28 3.06 0.02 -1.17 -0.58 113.55 115.46 3lpb h SER 1025Ca -0.00 -0.50 -0.12 0.00 -0.84 0.00 0.00 61.79 60.33 3lpb h SER 1025Cb 0.64 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 3lpb h SER 1025CO 0.01 1.28 -0.30 -0.07 -1.14 0.00 0.00 176.83 176.60 3lpb h LEU 1026N 0.54 0.74 0.16 5.07 3.38 -0.67 -1.74 115.31 122.80 3lpb h LEU 1026Ca -0.01 -0.48 -0.34 0.00 0.09 0.00 0.00 57.88 57.13 3lpb h LEU 1026Cb 1.25 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3lpb h LEU 1026CO 0.13 1.08 -1.74 0.71 0.09 0.00 0.00 178.44 178.71 3lpb h THR 1027N 0.43 0.94 -0.01 0.22 1.35 -0.66 -3.40 112.91 111.78 3lpb h THR 1027Ca 0.04 -2.55 0.00 0.00 -0.55 0.00 0.00 66.41 63.35 3lpb h THR 1027Cb 0.88 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 70.02 3lpb h THR 1027CO 0.07 0.85 0.00 -0.62 -0.25 0.00 0.00 175.52 175.57 3lpb n GLU 1028N -3.54 -0.14 -2.21 4.72 1.02 -0.25 -5.00 120.64 115.24 3lpb n GLU 1028Ca -0.24 -0.75 -0.16 0.00 -0.02 0.00 0.00 57.16 55.99 3lpb n GLU 1028Cb 1.07 -1.03 -0.02 0.00 -0.02 0.00 0.00 31.44 31.44 3lpb n GLU 1028CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3lpb n SER 1029N -0.01 -4.73 -4.71 1.62 7.64 -0.65 -4.86 113.62 107.91 3lpb n SER 1029Ca 0.01 0.16 -0.38 0.00 1.01 0.00 0.00 58.87 59.67 3lpb n SER 1029Cb 0.07 -4.04 -0.06 0.00 -1.01 0.00 0.00 64.21 59.17 3lpb n SER 1029CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3lpb s LYS 1030N -4.67 4.29 -0.02 1.43 1.02 -1.10 -1.82 119.74 118.88 3lpb s LYS 1030Ca 0.00 0.38 0.07 0.00 0.02 0.00 0.00 55.97 56.44 3lpb s LYS 1030Cb 0.00 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 33.83 3lpb s LYS 1030CO 0.00 0.10 -0.23 -0.06 -0.92 0.00 0.00 175.35 174.24 3lpb s PHE 1031N 0.84 2.04 0.34 3.18 0.40 -1.26 -3.44 117.98 120.08 3lpb s PHE 1031Ca 0.24 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 56.05 3lpb s PHE 1031Cb -0.15 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.09 3lpb s PHE 1031CO 0.09 -0.04 0.65 -1.54 0.70 0.00 0.00 175.22 175.08 3lpb s SER 1032N -0.51 0.21 0.25 1.36 1.04 -1.26 -4.74 113.70 110.05 3lpb s SER 1032Ca 0.08 -1.14 -0.04 0.00 0.48 0.00 0.00 55.95 55.33 3lpb s SER 1032Cb -0.09 0.75 0.38 0.00 0.10 0.00 0.00 66.02 67.16 3lpb s SER 1032CO -0.01 -1.46 1.83 0.58 0.98 0.00 0.00 173.24 175.16 3lpb h VAL 1033N 2.06 0.96 -0.70 5.02 2.07 -1.91 -1.91 116.25 121.84 3lpb h VAL 1033Ca -0.28 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 3lpb h VAL 1033Cb 1.25 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3lpb h VAL 1033CO 0.37 0.16 0.38 0.00 0.02 0.00 0.00 177.57 178.50 3lpb h ALA 1034N 1.44 1.35 -0.08 1.67 0.00 -1.91 0.06 119.26 121.79 3lpb h ALA 1034Ca 0.40 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.06 3lpb h ALA 1034Cb 0.30 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3lpb h ALA 1034CO -0.22 0.53 -0.57 0.66 0.00 0.00 0.00 179.25 179.65 3lpb h SER 1035N 0.98 0.28 -0.85 0.00 4.64 -1.80 -1.53 113.55 115.26 3lpb h SER 1035Ca 0.25 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3lpb h SER 1035Cb 0.03 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.00 3lpb h SER 1035CO -0.04 0.79 0.52 0.44 -0.87 0.00 0.00 176.83 177.67 3lpb h ASP 1036N 0.19 1.01 -0.55 4.97 3.32 -0.66 -1.27 116.42 123.42 3lpb h ASP 1036Ca -0.00 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3lpb h ASP 1036Cb 1.06 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 40.32 3lpb h ASP 1036CO 0.09 0.77 0.36 0.58 -1.72 0.00 0.00 179.24 179.31 3lpb h VAL 1037N 1.16 1.11 -0.15 -1.35 2.07 -0.75 0.25 116.25 118.59 3lpb h VAL 1037Ca 0.31 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.62 3lpb h VAL 1037Cb -0.06 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 29.99 3lpb h VAL 1037CO -0.06 0.13 -0.15 -0.25 0.02 0.00 0.00 177.57 177.26 3lpb h TRP 1038N 0.72 -0.39 -0.32 1.57 2.91 -0.96 -1.48 115.95 118.00 3lpb h TRP 1038Ca 0.21 0.02 -0.06 0.00 1.13 0.00 0.00 58.89 60.19 3lpb h TRP 1038Cb -0.05 0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.78 3lpb h TRP 1038CO -0.04 -0.22 -0.08 0.77 -1.03 0.00 0.00 178.44 177.83 3lpb h SER 1039N -0.18 0.50 -0.75 2.65 0.02 -0.93 -1.59 113.55 113.26 3lpb h SER 1039Ca 0.10 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3lpb h SER 1039Cb 0.33 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 3lpb h SER 1039CO -0.26 0.62 0.50 0.15 -1.14 0.00 0.00 176.83 176.70 3lpb h PHE 1040N 0.49 0.86 -0.62 3.45 3.57 -0.08 -0.45 116.94 124.16 3lpb h PHE 1040Ca 0.10 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3lpb h PHE 1040Cb 0.44 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.86 3lpb h PHE 1040CO 0.02 0.49 0.22 0.78 -2.23 0.00 0.00 178.31 177.59 3lpb h GLY 1041N 0.88 0.98 1.32 2.40 0.00 -0.27 0.09 103.07 108.47 3lpb h GLY 1041Ca 0.31 -0.52 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 3lpb h GLY 1041CO -0.09 0.49 -0.01 -2.08 0.00 0.00 0.00 176.54 174.84 3lpb h VAL 1042N 0.89 1.25 -0.45 4.60 2.07 -1.00 -1.40 116.25 122.20 3lpb h VAL 1042Ca 0.21 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3lpb h VAL 1042Cb 0.21 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 3lpb h VAL 1042CO -0.02 0.37 0.30 0.58 0.02 0.00 0.00 177.57 178.82 3lpb h VAL 1043N 0.77 1.12 -0.79 2.57 2.07 -0.38 0.79 116.25 122.40 3lpb h VAL 1043Ca 0.15 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3lpb h VAL 1043Cb 0.48 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3lpb h VAL 1043CO 0.02 0.11 0.45 0.25 0.02 0.00 0.00 177.57 178.43 3lpb h LEU 1044N 0.61 0.98 0.02 2.57 5.85 -0.74 0.43 115.31 125.03 3lpb h LEU 1044Ca 0.17 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3lpb h LEU 1044Cb -0.07 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.71 3lpb h LEU 1044CO -0.04 0.78 -0.02 0.22 -0.34 0.00 0.00 178.44 179.05 3lpb h TYR 1045N 1.09 -0.05 -0.45 1.25 3.20 -0.90 -2.24 116.97 118.88 3lpb h TYR 1045Ca 0.28 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.24 3lpb h TYR 1045Cb 0.01 0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.22 3lpb h TYR 1045CO -0.00 -0.03 -0.03 0.93 -1.64 0.00 0.00 178.16 177.39 3lpb h GLU 1046N -0.04 0.07 -0.11 1.82 5.08 -0.18 -0.94 114.58 120.28 3lpb h GLU 1046Ca 0.00 -0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3lpb h GLU 1046Cb 0.04 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3lpb h GLU 1046CO -0.00 0.05 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.95 3lpb h LEU 1047N 0.08 -0.13 -0.86 1.33 3.38 -0.82 -2.76 115.31 115.53 3lpb h LEU 1047Ca 0.22 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3lpb h LEU 1047Cb 0.33 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3lpb h LEU 1047CO -0.40 -0.05 0.00 -0.26 0.09 0.00 0.00 178.44 177.82 3lpb h PHE 1048N -0.02 0.00 -0.01 1.13 -1.00 -1.02 -0.17 116.94 115.86 3lpb h PHE 1048Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 3lpb h PHE 1048Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 3lpb h PHE 1048CO -0.16 0.00 -0.05 0.25 -1.61 0.00 0.00 178.31 176.74 3lpb n THR 1049N -2.66 0.00 -2.73 -1.55 -2.24 -0.39 -4.70 114.28 100.01 3lpb n THR 1049Ca 0.02 -0.09 -0.17 0.00 -2.27 0.00 0.00 64.05 61.53 3lpb n THR 1049Cb 0.31 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 3lpb n THR 1049CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3lpb n TYR 1050N -0.66 -1.53 -2.90 4.78 4.02 -0.08 -1.69 117.16 119.10 3lpb n TYR 1050Ca 0.18 0.18 -0.22 0.00 -0.01 0.00 0.00 57.90 58.03 3lpb n TYR 1050Cb 0.25 -3.20 0.03 0.00 -0.02 0.00 0.00 39.34 36.40 3lpb n TYR 1050CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3lpb n ILE 1051N -3.75 -1.77 -2.10 -0.72 2.08 -1.10 -4.36 119.36 107.64 3lpb n ILE 1051Ca -0.12 0.00 -0.42 0.00 0.56 0.00 0.00 62.75 62.76 3lpb n ILE 1051Cb 0.61 -3.33 -0.03 0.00 -0.75 0.00 0.00 39.64 36.14 3lpb n ILE 1051CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3lpb s GLU 1052N -5.58 4.24 0.14 0.38 2.12 -0.68 -4.90 118.70 114.41 3lpb s GLU 1052Ca 0.24 2.11 -0.18 0.00 0.36 0.00 0.00 54.97 57.50 3lpb s GLU 1052Cb -0.11 -3.64 0.01 0.00 0.26 0.00 0.00 34.13 30.65 3lpb s GLU 1052CO 0.30 -0.67 1.72 -0.22 -0.54 0.00 0.00 175.26 175.86 3lpb h LYS 1053N 8.23 0.11 0.00 4.30 1.63 -1.92 0.15 116.57 129.06 3lpb h LYS 1053Ca -0.39 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 3lpb h LYS 1053Cb 1.18 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.79 3lpb h LYS 1053CO 0.92 0.07 0.00 -1.13 -3.45 0.00 0.00 179.45 175.86 3lpb n SER 1054N -5.12 0.53 -0.92 4.20 3.41 -1.26 -2.38 113.62 112.07 3lpb n SER 1054Ca -0.01 0.67 0.09 0.00 -0.26 0.00 0.00 58.87 59.36 3lpb n SER 1054Cb 0.13 -0.76 0.19 0.00 -0.26 0.00 0.00 64.21 63.51 3lpb n SER 1054CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3lpb n LYS 1055N -2.12 2.40 -1.37 4.33 4.76 0.48 -4.45 118.16 122.19 3lpb n LYS 1055Ca 0.01 -2.13 -0.34 0.00 -2.87 0.00 0.00 58.31 52.98 3lpb n LYS 1055Cb 0.15 -1.40 0.10 0.00 -1.84 0.00 0.00 35.03 32.04 3lpb n LYS 1055CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3lpb s SER 1056N -1.14 4.10 0.26 4.39 1.04 -1.00 -4.67 113.70 116.68 3lpb s SER 1056Ca 0.32 2.32 -0.02 0.00 0.48 0.00 0.00 55.95 59.06 3lpb s SER 1056Cb 0.18 -2.58 0.47 0.00 0.10 0.00 0.00 66.02 64.18 3lpb s SER 1056CO 0.24 -2.32 1.82 -0.65 0.98 0.00 0.00 173.24 173.31 3lpb h PRO 1057N -0.45 0.87 -0.73 4.02 0.11 -1.92 -0.61 132.00 133.28 3lpb h PRO 1057Ca -0.47 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.53 3lpb h PRO 1057Cb 1.29 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3lpb h PRO 1057CO 0.49 0.57 0.25 -1.35 -0.21 0.00 0.00 178.00 177.75 3lpb h PRO 1058N 0.89 1.13 -0.26 1.05 0.11 -1.91 -1.66 132.00 131.34 3lpb h PRO 1058Ca 0.45 -0.23 0.03 0.00 0.11 0.00 0.00 66.00 66.35 3lpb h PRO 1058Cb 0.42 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.33 3lpb h PRO 1058CO -0.26 0.95 0.09 0.00 -0.21 0.00 0.00 178.00 178.58 3lpb h ALA 1059N 1.12 0.30 -0.17 -0.75 0.00 -1.71 -0.83 119.26 117.22 3lpb h ALA 1059Ca 0.24 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3lpb h ALA 1059Cb 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3lpb h ALA 1059CO -0.01 -0.31 -0.08 0.93 0.00 0.00 0.00 179.25 179.78 3lpb h GLU 1060N 0.22 0.35 -0.63 0.00 4.39 -1.02 -2.28 114.58 115.61 3lpb h GLU 1060Ca 0.11 -0.15 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 3lpb h GLU 1060Cb 0.08 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 3lpb h GLU 1060CO -0.11 0.66 0.15 0.74 -1.16 0.00 0.00 179.01 179.28 3lpb h PHE 1061N 0.04 1.06 -0.66 4.33 0.04 -1.31 -2.06 116.94 118.38 3lpb h PHE 1061Ca 0.04 -0.13 0.04 0.00 2.80 0.00 0.00 57.97 60.72 3lpb h PHE 1061Cb 0.55 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 38.35 3lpb h PHE 1061CO 0.06 0.89 0.40 0.52 -0.60 0.00 0.00 178.31 179.58 3lpb h MET 1062N 0.93 0.74 0.05 1.51 2.86 -1.14 0.31 114.93 120.18 3lpb h MET 1062Ca 0.20 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.82 3lpb h MET 1062Cb 0.36 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3lpb h MET 1062CO 0.00 0.49 -0.36 -0.09 1.06 0.00 0.00 176.91 178.01 3lpb h ARG 1063N 0.76 -0.52 -0.12 1.72 2.43 -1.30 0.27 114.38 117.61 3lpb h ARG 1063Ca 0.27 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 3lpb h ARG 1063Cb 0.06 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3lpb h ARG 1063CO -0.13 -0.35 -0.04 0.52 -1.51 0.00 0.00 179.97 178.47 3lpb h MET 1064N -0.54 0.18 0.00 0.20 2.86 -0.95 -1.88 114.93 114.79 3lpb h MET 1064Ca 0.05 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3lpb h MET 1064Cb 0.61 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.24 3lpb h MET 1064CO -0.26 0.23 -0.38 -0.89 1.06 0.00 0.00 176.91 176.68 3lpb n ILE 1065N -4.39 0.37 0.00 -1.22 -0.00 0.06 -5.10 119.36 109.08 3lpb n ILE 1065Ca -0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 62.75 62.51 3lpb n ILE 1065Cb 0.18 -0.26 0.00 0.00 -0.00 0.00 0.00 39.64 39.56 3lpb n ILE 1065CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3lpb n GLY 1066N 1.35 2.11 0.00 7.39 0.00 0.92 -5.07 105.19 111.89 3lpb n GLY 1066Ca 0.04 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3lpb n GLY 1066CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lpb n GLN 1072N 0.00 0.00 -0.74 1.61 0.00 -1.26 -4.82 117.38 112.16 3lpb n GLN 1072Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 57.00 57.03 3lpb n GLN 1072Cb 0.00 0.00 0.29 0.00 0.00 0.00 0.00 30.24 30.53 3lpb n GLN 1072CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3lpb n MET 1073N -1.11 3.40 -0.33 2.61 0.00 -1.26 -4.69 117.12 115.74 3lpb n MET 1073Ca 0.00 -3.02 0.07 0.00 0.00 0.00 0.00 57.70 54.75 3lpb n MET 1073Cb 0.00 -2.03 0.23 0.00 0.00 0.00 0.00 33.22 31.42 3lpb n MET 1073CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 3lpb h ILE 1074N 2.37 0.85 -0.53 3.17 2.10 -2.02 -1.50 117.51 121.95 3lpb h ILE 1074Ca 0.11 -0.29 0.00 0.00 1.08 0.00 0.00 64.86 65.76 3lpb h ILE 1074Cb 1.84 -0.07 -0.03 0.00 -1.09 0.00 0.00 36.82 37.47 3lpb h ILE 1074CO 0.45 0.15 0.34 0.58 -1.08 0.00 0.00 178.15 178.59 3lpb h VAL 1075N 0.84 1.15 -0.49 2.19 2.07 -1.99 0.34 116.25 120.36 3lpb h VAL 1075Ca 0.48 -0.29 0.08 0.00 0.82 0.00 0.00 66.70 67.79 3lpb h VAL 1075Cb 0.55 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.65 3lpb h VAL 1075CO -0.30 0.14 0.11 0.15 0.02 0.00 0.00 177.57 177.70 3lpb h PHE 1076N 0.71 0.19 0.00 1.57 3.57 -1.64 -0.47 116.94 120.87 3lpb h PHE 1076Ca 0.19 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 3lpb h PHE 1076Cb -0.06 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.65 3lpb h PHE 1076CO -0.03 0.02 -0.70 0.45 -2.23 0.00 0.00 178.31 175.81 3lpb h HIS 1077N 0.26 0.00 -0.22 0.41 3.86 -1.17 -2.51 115.15 115.77 3lpb h HIS 1077Ca 0.24 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.45 3lpb h HIS 1077Cb 0.31 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 3lpb h HIS 1077CO -0.21 0.70 0.11 1.25 0.86 0.00 0.00 177.93 180.64 3lpb h LEU 1078N 0.00 0.29 -0.89 2.43 5.85 -0.63 -1.20 115.31 121.16 3lpb h LEU 1078Ca -0.01 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.66 3lpb h LEU 1078Cb 1.43 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 3lpb h LEU 1078CO 0.09 0.33 0.56 0.40 -0.34 0.00 0.00 178.44 179.47 3lpb h ILE 1079N 0.24 1.03 -0.25 4.05 2.04 -0.90 -1.46 117.51 122.26 3lpb h ILE 1079Ca 0.08 -0.34 -0.13 0.00 1.00 0.00 0.00 64.86 65.46 3lpb h ILE 1079Cb 0.11 -0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 3lpb h ILE 1079CO -0.01 0.18 -0.35 -0.33 0.00 0.00 0.00 178.15 177.64 3lpb h GLU 1080N 1.00 0.68 -0.40 2.37 4.39 -1.29 -1.57 114.58 119.76 3lpb h GLU 1080Ca 0.39 -0.40 0.04 0.00 0.34 0.00 0.00 59.36 59.74 3lpb h GLU 1080Cb 0.20 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 3lpb h GLU 1080CO -0.18 1.01 0.16 1.25 -1.16 0.00 0.00 179.01 180.09 3lpb h LEU 1081N 0.40 0.19 -0.39 1.33 5.85 -0.82 -0.87 115.31 121.01 3lpb h LEU 1081Ca 0.03 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.69 3lpb h LEU 1081Cb 0.94 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3lpb h LEU 1081CO 0.08 0.15 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.11 3lpb h LEU 1082N 0.33 0.80 -1.80 2.25 3.38 -1.12 0.79 115.31 119.95 3lpb h LEU 1082Ca 0.18 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3lpb h LEU 1082Cb 0.15 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3lpb h LEU 1082CO -0.17 1.01 0.00 0.11 0.09 0.00 0.00 178.44 179.48 3lpb h LYS 1083N 0.59 0.12 -0.53 1.13 1.57 -1.12 -0.74 116.57 117.59 3lpb h LYS 1083Ca 0.09 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3lpb h LYS 1083Cb 0.69 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.97 3lpb h LYS 1083CO 0.05 0.14 0.00 0.09 -0.57 0.00 0.00 179.45 179.16 3lpb n ASN 1084N -4.46 1.68 -1.95 0.86 3.02 -0.35 -4.91 115.26 109.16 3lpb n ASN 1084Ca -0.02 -2.12 -0.20 0.00 -0.03 0.00 0.00 54.58 52.21 3lpb n ASN 1084Cb 0.13 -0.33 -0.05 0.00 -0.61 0.00 0.00 39.78 38.91 3lpb n ASN 1084CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lpb n ASN 1085N 0.14 -5.53 -4.74 6.41 3.02 -0.28 -4.99 115.26 109.28 3lpb n ASN 1085Ca 0.07 0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 54.49 3lpb n ASN 1085Cb 0.33 -4.77 -0.03 0.00 -0.61 0.00 0.00 39.78 34.71 3lpb n ASN 1085CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3lpb s GLY 1086N -2.42 2.20 0.05 7.41 0.00 0.23 -5.01 107.32 109.78 3lpb s GLY 1086Ca 0.00 1.30 -0.01 0.00 0.00 0.00 0.00 44.72 46.01 3lpb s GLY 1086CO 0.00 2.32 -0.02 0.50 0.00 0.00 0.00 173.10 175.89 3lpb s ARG 1087N -0.02 0.57 0.42 2.90 1.81 -1.26 -4.35 118.95 119.02 3lpb s ARG 1087Ca 0.61 -1.11 -0.25 0.00 -1.72 0.00 0.00 55.73 53.26 3lpb s ARG 1087Cb -0.41 0.20 -0.10 0.00 -0.45 0.00 0.00 34.95 34.19 3lpb s ARG 1087CO 0.40 -0.10 1.24 1.28 -0.68 0.00 0.00 175.30 177.43 3lpb n LEU 1088N 0.36 3.86 -4.83 2.53 4.77 -1.26 -4.98 117.00 117.45 3lpb n LEU 1088Ca -0.16 1.10 -0.30 0.00 -0.03 0.00 0.00 56.01 56.62 3lpb n LEU 1088Cb 0.60 -1.48 0.08 0.00 -2.33 0.00 0.00 43.42 40.29 3lpb n LEU 1088CO 0.26 -0.76 0.73 -2.16 -1.33 0.00 0.00 177.39 174.13 3lpb s PRO 1089N -2.19 2.19 0.10 3.23 0.04 -1.26 -4.97 135.00 132.14 3lpb s PRO 1089Ca 0.61 0.54 -0.31 0.00 0.04 0.00 0.00 61.00 61.88 3lpb s PRO 1089Cb -0.51 -1.94 -0.10 0.00 0.04 0.00 0.00 34.50 31.98 3lpb s PRO 1089CO 0.58 -1.52 1.88 -2.13 0.04 0.00 0.00 177.00 175.84 3lpb n ARG 1090N -3.35 2.82 -1.95 4.56 0.63 -1.26 -4.96 116.66 113.15 3lpb n ARG 1090Ca 0.07 1.03 -0.38 0.00 -0.92 0.00 0.00 57.85 57.65 3lpb n ARG 1090Cb 0.57 -2.94 0.02 0.00 0.45 0.00 0.00 32.46 30.56 3lpb n ARG 1090CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3lpb s PRO 1091N 3.20 3.46 -0.47 -0.14 0.02 -1.26 -4.90 135.00 134.91 3lpb s PRO 1091Ca 0.84 2.11 -0.46 0.00 0.02 0.00 0.00 61.00 63.51 3lpb s PRO 1091Cb -0.47 -2.39 -0.19 0.00 0.02 0.00 0.00 34.50 31.47 3lpb s PRO 1091CO 0.39 -0.90 1.64 -0.25 -0.33 0.00 0.00 177.00 177.55 3lpb n ASP 1092N -0.67 1.34 0.00 2.53 8.00 -1.26 -0.03 116.55 126.46 3lpb n ASP 1092Ca 0.08 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.73 3lpb n ASP 1092Cb 0.45 -0.91 0.00 0.00 -0.02 0.00 0.00 41.12 40.64 3lpb n ASP 1092CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lpb n GLY 1093N 4.19 1.62 3.70 0.44 0.00 -1.26 -4.90 105.19 108.97 3lpb n GLY 1093Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.91 3lpb n GLY 1093CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lpb s PRO 1095N 1.73 2.10 0.18 0.00 0.04 -1.26 -4.85 135.00 132.93 3lpb s PRO 1095Ca 0.60 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 3lpb s PRO 1095Cb -0.30 -1.86 0.10 0.00 0.04 0.00 0.00 34.50 32.48 3lpb s PRO 1095CO 0.27 -1.80 1.84 -0.44 0.04 0.00 0.00 177.00 176.91 3lpb h ASP 1096N -0.81 0.63 0.27 6.66 3.32 -1.99 -1.48 116.42 123.03 3lpb h ASP 1096Ca -0.45 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 3lpb h ASP 1096Cb 1.26 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.65 3lpb h ASP 1096CO 0.50 0.45 -0.11 1.05 -1.72 0.00 0.00 179.24 179.41 3lpb h GLU 1097N 0.75 0.00 0.19 3.56 4.11 -1.99 0.61 114.58 121.81 3lpb h GLU 1097Ca 0.22 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.36 3lpb h GLU 1097Cb -0.06 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.22 3lpb h GLU 1097CO -0.06 0.11 -1.33 0.82 0.07 0.00 0.00 179.01 178.62 3lpb h ILE 1098N 0.00 1.25 -0.36 -1.06 1.08 -1.86 -3.11 117.51 113.45 3lpb h ILE 1098Ca -0.00 -2.57 -0.02 0.00 -0.39 0.00 0.00 64.86 61.88 3lpb h ILE 1098Cb 0.28 2.99 -0.02 0.00 -3.07 0.00 0.00 36.82 37.00 3lpb h ILE 1098CO 0.01 0.78 0.15 0.22 -0.69 0.00 0.00 178.15 178.62 3lpb h TYR 1099N -0.08 0.49 -0.17 1.37 3.20 -0.84 -1.80 116.97 119.14 3lpb h TYR 1099Ca -0.25 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.53 3lpb h TYR 1099Cb 1.95 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 40.05 3lpb h TYR 1099CO 0.14 0.39 -0.24 1.98 -1.64 0.00 0.00 178.16 178.79 3lpb h MET 1100N 0.50 0.31 -0.29 1.82 4.05 -0.97 -0.12 114.93 120.23 3lpb h MET 1100Ca 0.13 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 3lpb h MET 1100Cb 0.09 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.85 3lpb h MET 1100CO -0.01 0.53 0.18 0.82 0.23 0.00 0.00 176.91 178.66 3lpb h ILE 1101N 0.28 1.09 0.16 1.77 2.04 -1.26 -1.57 117.51 120.02 3lpb h ILE 1101Ca 0.05 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.73 3lpb h ILE 1101Cb 0.58 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3lpb h ILE 1101CO 0.04 0.09 -0.30 0.24 0.00 0.00 0.00 178.15 178.22 3lpb h MET 1102N 0.38 -0.52 -0.27 2.37 2.86 -1.19 -1.87 114.93 116.68 3lpb h MET 1102Ca 0.10 0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3lpb h MET 1102Cb -0.02 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3lpb h MET 1102CO -0.02 -0.35 0.09 1.79 1.06 0.00 0.00 176.91 179.48 3lpb h THR 1103N -0.54 1.12 -0.29 2.22 1.35 -0.90 -1.60 112.91 114.26 3lpb h THR 1103Ca 0.02 -0.39 -0.13 0.00 -0.55 0.00 0.00 66.41 65.36 3lpb h THR 1103Cb 0.55 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 3lpb h THR 1103CO -0.15 0.14 -0.36 -0.33 -0.25 0.00 0.00 175.52 174.57 3lpb h GLU 1104N 0.38 0.66 -0.38 4.72 5.08 -1.10 -2.80 114.58 121.14 3lpb h GLU 1104Ca 0.10 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3lpb h GLU 1104Cb 0.11 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 3lpb h GLU 1104CO -0.01 0.92 0.14 0.00 -1.00 0.00 0.00 179.01 179.06 3lpb n TRP 1106N -4.38 1.76 -2.64 0.00 8.01 -0.66 -3.90 117.44 115.63 3lpb n TRP 1106Ca 0.02 -2.09 -0.42 0.00 -1.31 0.00 0.00 57.50 53.71 3lpb n TRP 1106Cb 0.15 -1.11 -0.03 0.00 -2.01 0.00 0.00 31.31 28.30 3lpb n TRP 1106CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.69 177.89 3lpb s ASN 1107N -0.02 7.33 0.52 -0.99 3.84 -1.15 -4.93 114.94 119.53 3lpb s ASN 1107Ca 0.41 1.79 0.16 0.00 0.21 0.00 0.00 52.86 55.44 3lpb s ASN 1107Cb 0.31 -2.58 1.27 0.00 -0.55 0.00 0.00 41.25 39.70 3lpb s ASN 1107CO -0.06 -0.26 2.14 0.78 -2.79 0.00 0.00 177.10 176.91 3lpb h ASN 1108N 6.43 0.00 -3.63 -4.21 2.35 -1.93 -3.40 115.58 111.20 3lpb h ASN 1108Ca -0.42 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.76 3lpb h ASN 1108Cb 1.22 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.50 3lpb h ASN 1108CO 0.75 0.01 0.78 0.20 -1.65 0.00 0.00 177.43 177.52 3lpb s ASN 1109N -7.03 6.63 0.27 5.81 0.01 -1.26 -4.91 114.94 114.46 3lpb s ASN 1109Ca -0.05 0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 52.52 3lpb s ASN 1109Cb 0.17 -2.51 0.45 0.00 0.41 0.00 0.00 41.25 39.77 3lpb s ASN 1109CO 0.67 -1.11 1.85 1.62 -1.51 0.00 0.00 177.10 178.62 3lpb h VAL 1110N 6.09 1.00 0.00 1.60 3.04 -1.99 -1.18 116.25 124.80 3lpb h VAL 1110Ca -0.23 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3lpb h VAL 1110Cb 1.07 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 3lpb h VAL 1110CO 1.07 0.19 0.00 -0.46 -1.01 0.00 0.00 177.57 177.36 3lpb n ASN 1111N -4.59 0.00 -0.72 3.17 6.94 -1.26 -3.15 115.26 115.65 3lpb n ASN 1111Ca 0.16 0.33 0.12 0.00 -0.02 0.00 0.00 54.58 55.17 3lpb n ASN 1111Cb 0.26 -0.44 0.07 0.00 -2.36 0.00 0.00 39.78 37.31 3lpb n ASN 1111CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3lpb n GLN 1112N -1.44 1.78 -2.27 -3.83 6.02 -0.45 -4.95 117.38 112.23 3lpb n GLN 1112Ca 0.09 -1.45 -0.37 0.00 -0.01 0.00 0.00 57.00 55.25 3lpb n GLN 1112Cb 0.30 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 3lpb n GLN 1112CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3lpb s ARG 1113N -2.23 3.78 0.84 -1.09 0.52 -1.19 -4.98 118.95 114.61 3lpb s ARG 1113Ca 0.24 1.76 -0.12 0.00 -0.52 0.00 0.00 55.73 57.09 3lpb s ARG 1113Cb 0.19 -2.41 0.10 0.00 0.52 0.00 0.00 34.95 33.35 3lpb s ARG 1113CO 0.43 -0.53 1.17 -1.25 0.02 0.00 0.00 175.30 175.14 3lpb s PRO 1114N -2.69 1.48 0.55 3.54 0.04 -1.26 -5.04 135.00 131.63 3lpb s PRO 1114Ca 0.63 1.61 -0.08 0.00 0.04 0.00 0.00 61.00 63.20 3lpb s PRO 1114Cb -0.28 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3lpb s PRO 1114CO 0.34 -2.30 0.90 -1.54 0.04 0.00 0.00 177.00 174.44 3lpb s SER 1115N -2.49 6.24 0.34 6.66 1.04 -1.26 -4.94 113.70 119.30 3lpb s SER 1115Ca 0.69 1.15 0.04 0.00 0.48 0.00 0.00 55.95 58.31 3lpb s SER 1115Cb -0.25 -2.34 0.61 0.00 0.10 0.00 0.00 66.02 64.13 3lpb s SER 1115CO 0.54 -0.72 1.88 -0.26 0.98 0.00 0.00 173.24 175.66 3lpb h PHE 1116N -0.03 0.56 -0.51 5.02 0.04 -1.96 -0.49 116.94 119.57 3lpb h PHE 1116Ca -0.46 -0.05 0.01 0.00 2.80 0.00 0.00 57.97 60.27 3lpb h PHE 1116Cb 1.20 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 39.16 3lpb h PHE 1116CO 0.62 0.53 0.33 0.00 -0.60 0.00 0.00 178.31 179.19 3lpb h ARG 1117N 0.53 0.65 -0.22 1.51 3.08 -1.94 -1.02 114.38 116.96 3lpb h ARG 1117Ca 0.12 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3lpb h ARG 1117Cb 0.30 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 3lpb h ARG 1117CO 0.01 0.43 -0.32 -0.44 -1.07 0.00 0.00 179.97 178.57 3lpb h ASP 1118N 0.66 0.46 -0.02 7.04 3.32 -1.84 -2.02 116.42 124.02 3lpb h ASP 1118Ca 0.19 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3lpb h ASP 1118Cb -0.05 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 3lpb h ASP 1118CO -0.06 0.76 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.13 3lpb h LEU 1119N 0.38 -0.07 -0.46 1.55 3.38 -0.80 -1.66 115.31 117.63 3lpb h LEU 1119Ca 0.05 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3lpb h LEU 1119Cb 0.76 0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3lpb h LEU 1119CO 0.06 -0.03 0.16 0.00 0.09 0.00 0.00 178.44 178.71 3lpb h ALA 1120N 0.99 0.55 -0.17 1.53 0.00 -1.05 -1.07 119.26 120.04 3lpb h ALA 1120Ca 0.02 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3lpb h ALA 1120Cb 0.06 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3lpb h ALA 1120CO -0.04 -0.23 -0.01 -0.07 0.00 0.00 0.00 179.25 178.89 3lpb h LEU 1121N 0.33 -0.09 -0.51 0.00 3.38 -1.25 0.50 115.31 117.66 3lpb h LEU 1121Ca 0.22 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 3lpb h LEU 1121Cb 0.22 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3lpb h LEU 1121CO -0.23 -0.02 0.22 0.03 0.09 0.00 0.00 178.44 178.53 3lpb h ARG 1122N 0.04 0.76 -0.09 1.13 3.08 -1.07 -0.69 114.38 117.54 3lpb h ARG 1122Ca 0.08 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3lpb h ARG 1122Cb 0.11 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 3lpb h ARG 1122CO -0.15 0.66 0.02 0.28 -1.07 0.00 0.00 179.97 179.71 3lpb h VAL 1123N 0.69 1.18 -0.52 2.04 2.07 -1.10 -1.64 116.25 118.97 3lpb h VAL 1123Ca 0.17 -0.56 0.04 0.00 0.82 0.00 0.00 66.70 67.17 3lpb h VAL 1123Cb 0.17 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 3lpb h VAL 1123CO -0.02 0.16 0.34 0.44 0.02 0.00 0.00 177.57 178.52 3lpb h ASP 1124N -0.06 0.49 -0.20 0.57 3.32 -0.83 -0.53 116.42 119.19 3lpb h ASP 1124Ca 0.03 -0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.95 3lpb h ASP 1124Cb 0.23 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3lpb h ASP 1124CO -0.00 0.33 -0.34 1.56 -1.72 0.00 0.00 179.24 179.07 3lpb h GLN 1125N 0.56 0.58 -0.42 3.56 4.20 -0.80 -2.18 115.11 120.61 3lpb h GLN 1125Ca 0.21 -0.36 -0.07 0.00 0.06 0.00 0.00 58.65 58.49 3lpb h GLN 1125Cb 0.14 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3lpb h GLN 1125CO -0.06 0.97 -0.05 0.82 -0.67 0.00 0.00 178.83 179.85 3lpb h ILE 1126N 0.25 1.24 0.26 2.54 2.04 -0.93 -1.28 117.51 121.64 3lpb h ILE 1126Ca 0.01 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.85 3lpb h ILE 1126Cb 0.94 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 3lpb h ILE 1126CO 0.08 0.35 -0.24 0.03 0.00 0.00 0.00 178.15 178.37 3lpb h ARG 1127N 0.66 -0.51 -0.13 2.37 3.08 -1.06 -1.86 114.38 116.93 3lpb h ARG 1127Ca 0.12 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.25 3lpb h ARG 1127Cb 0.48 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3lpb h ARG 1127CO 0.02 -0.34 -0.11 -0.44 -1.07 0.00 0.00 179.97 178.04 3lpb h ASP 1128N -0.53 -0.34 -0.90 7.04 3.32 -1.12 -1.89 116.42 122.01 3lpb h ASP 1128Ca -0.01 0.07 0.19 0.00 0.02 0.00 0.00 57.03 57.30 3lpb h ASP 1128Cb 0.48 0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.13 3lpb h ASP 1128CO -0.04 -0.14 0.59 0.78 -1.72 0.00 0.00 179.24 178.70 3lpb h ASN 1129N -0.12 0.49 1.37 6.45 4.21 -1.14 -1.59 115.58 125.24 3lpb h ASN 1129Ca 0.09 0.05 -0.11 0.00 1.21 0.00 0.00 56.30 57.53 3lpb h ASN 1129Cb 0.25 -0.05 -0.02 0.00 -1.12 0.00 0.00 38.32 37.38 3lpb h ASN 1129CO -0.21 0.21 -0.51 0.24 -1.29 0.00 0.00 177.43 175.87 3lpb h MET 1130N 0.50 0.00 -0.00 0.81 2.86 -0.69 -3.51 114.93 114.90 3lpb h MET 1130Ca 0.47 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.11 3lpb h MET 1130Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3lpb h MET 1130CO -0.20 0.51 0.00 0.00 1.06 0.00 0.00 176.91 178.29