#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqb n PRO 892 N 0.00 0.17 -1.46 1.61 -0.04 -1.26 -4.87 135.00 129.15 2rqb n PRO 892 Ca 0.00 0.27 -0.54 0.00 -0.04 0.00 0.00 63.50 63.19 2rqb n PRO 892 Cb 0.00 -1.75 -0.06 0.00 -0.04 0.00 0.00 33.50 31.65 2rqb n PRO 892 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2rqb n LEU 893 N -2.05 -0.43 0.00 1.53 4.32 -1.26 -4.82 117.00 114.29 2rqb n LEU 893 Ca 0.04 1.15 0.00 0.00 -0.02 0.00 0.00 56.01 57.18 2rqb n LEU 893 Cb 0.31 -0.95 0.00 0.00 -1.62 0.00 0.00 43.42 41.16 2rqb n LEU 893 CO 0.24 -2.31 0.00 0.61 -1.22 0.00 0.00 177.39 174.70 2rqb n GLY 894 N 1.73 4.25 3.91 -0.72 0.00 -1.26 -5.19 105.19 107.91 2rqb n GLY 894 Ca 0.19 -0.94 0.02 0.00 0.00 0.00 0.00 46.02 45.29 2rqb n GLY 894 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2rqb s SER 895 N 0.00 -0.01 0.85 1.61 1.04 -1.26 -5.12 113.70 110.81 2rqb s SER 895 Ca 0.00 -0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.13 2rqb s SER 895 Cb 0.00 0.17 0.12 0.00 0.10 0.00 0.00 66.02 66.41 2rqb s SER 895 CO 0.00 -0.34 0.26 -1.22 0.98 0.00 0.00 173.24 172.92 2rqb n TYR 896 N -0.81 -2.00 -3.69 5.02 4.01 -1.26 -5.04 117.16 113.39 2rqb n TYR 896 Ca 0.01 -0.11 -0.03 0.00 -0.16 0.00 0.00 57.90 57.60 2rqb n TYR 896 Cb 0.59 -0.66 -0.01 0.00 -0.31 0.00 0.00 39.34 38.95 2rqb n TYR 896 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2rqb s LYS 897 N -2.83 0.98 -1.07 -0.72 2.20 -1.26 -4.87 119.74 112.17 2rqb s LYS 897 Ca 0.20 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.29 2rqb s LYS 897 Cb -0.04 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2rqb s LYS 897 CO 0.17 -0.44 0.90 0.09 -0.36 0.00 0.00 175.35 175.70 2rqb n ASN 898 N -0.43 -2.91 -3.71 1.43 4.13 -1.26 -5.02 115.26 107.49 2rqb n ASN 898 Ca -0.07 -0.58 -0.14 0.00 1.68 0.00 0.00 54.58 55.47 2rqb n ASN 898 Cb 0.61 -4.74 -0.14 0.00 -1.54 0.00 0.00 39.78 33.97 2rqb n ASN 898 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2rqb s ASN 899 N -4.06 0.05 0.00 6.41 3.84 -1.26 -4.43 114.94 115.50 2rqb s ASN 899 Ca 0.09 0.44 0.19 0.00 0.21 0.00 0.00 52.86 53.79 2rqb s ASN 899 Cb -0.01 0.38 1.16 0.00 -0.55 0.00 0.00 41.25 42.22 2rqb s ASN 899 CO 0.67 -0.19 1.59 -0.81 -2.79 0.00 0.00 177.10 175.58 2rqb n PRO 900 N 4.60 0.75 0.08 0.43 -0.04 -1.26 -2.41 135.00 137.14 2rqb n PRO 900 Ca -0.19 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.28 2rqb n PRO 900 Cb 0.51 -1.40 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 2rqb n PRO 900 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2rqb h SER 901 N 0.00 0.00 0.69 3.54 0.87 -1.94 -1.27 113.55 115.44 2rqb h SER 901 Ca 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 2rqb h SER 901 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2rqb h SER 901 CO 0.00 0.54 -1.42 0.18 -0.53 0.00 0.00 176.83 175.60 2rqb n LEU 902 N -3.02 0.83 -4.94 2.23 4.77 -1.01 -4.90 117.00 110.95 2rqb n LEU 902 Ca -0.05 0.36 -0.25 0.00 -0.03 0.00 0.00 56.01 56.05 2rqb n LEU 902 Cb 0.79 0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.93 2rqb n LEU 902 CO 0.42 0.13 0.03 0.27 -1.33 0.00 0.00 177.39 176.90 2rqb s ILE 903 N -2.96 5.21 0.08 -0.08 -4.36 -1.20 -0.21 121.20 117.68 2rqb s ILE 903 Ca -0.03 -0.58 -0.10 0.00 -0.26 0.00 0.00 60.65 59.68 2rqb s ILE 903 Cb 0.09 -3.79 0.00 0.00 1.25 0.00 0.00 42.46 40.01 2rqb s ILE 903 CO 0.81 -0.29 0.21 -0.89 0.24 0.00 0.00 174.94 175.03 2rqb s THR 904 N -1.98 0.13 -0.12 8.37 2.01 -0.98 -3.54 115.64 119.54 2rqb s THR 904 Ca 0.37 -1.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.24 2rqb s THR 904 Cb -0.10 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.14 2rqb s THR 904 CO 0.30 -0.59 0.13 -0.36 -0.69 0.00 0.00 174.62 173.42 2rqb s PHE 905 N -3.56 3.56 0.37 4.92 0.08 0.81 -2.12 117.98 122.03 2rqb s PHE 905 Ca 0.03 0.50 0.04 0.00 0.12 0.00 0.00 56.93 57.62 2rqb s PHE 905 Cb 0.03 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2rqb s PHE 905 CO -0.09 0.69 0.17 -0.51 -0.10 0.00 0.00 175.22 175.37 2rqb s LEU 906 N -0.92 1.88 -0.20 -0.37 1.43 -0.39 -1.66 118.68 118.45 2rqb s LEU 906 Ca 0.14 -1.66 -0.20 0.00 -1.03 0.00 0.00 54.13 51.38 2rqb s LEU 906 Cb -0.12 0.09 -0.03 0.00 0.03 0.00 0.00 46.19 46.17 2rqb s LEU 906 CO 0.03 -0.95 0.60 0.00 0.23 0.00 0.00 176.35 176.27 2rqb h LYS 908 N 7.47 -0.85 -0.35 0.00 3.64 -1.10 0.30 116.57 125.68 2rqb h LYS 908 Ca -0.32 0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.16 2rqb h LYS 908 Cb 1.15 0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 33.08 2rqb h LYS 908 CO 0.76 -0.57 -0.55 -0.91 -2.27 0.00 0.00 179.45 175.92 2rqb h ASN 909 N -0.88 -1.82 0.00 4.20 4.21 -1.94 -3.40 115.58 115.95 2rqb h ASN 909 Ca -0.03 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.71 2rqb h ASN 909 Cb 0.81 0.74 0.00 0.00 -1.12 0.00 0.00 38.32 38.75 2rqb h ASN 909 CO -0.16 -0.42 0.00 0.00 -1.29 0.00 0.00 177.43 175.56 2rqb n SER 911 N 0.00 0.00 -4.76 0.00 7.64 0.10 -4.75 113.62 111.85 2rqb n SER 911 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 2rqb n SER 911 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 2rqb n SER 911 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2rqb s VAL 912 N 0.00 5.14 -0.35 0.44 -7.23 -1.26 -4.52 120.40 112.62 2rqb s VAL 912 Ca 0.00 0.85 -0.27 0.00 -1.81 0.00 0.00 61.98 60.74 2rqb s VAL 912 Cb 0.00 -3.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.14 2rqb s VAL 912 CO 0.00 0.43 2.17 -0.22 -0.31 0.00 0.00 175.10 177.17 2rqb s LEU 913 N -0.03 3.43 -0.03 1.32 1.98 -1.26 -2.59 118.68 121.49 2rqb s LEU 913 Ca 0.24 1.43 -0.01 0.00 -2.89 0.00 0.00 54.13 52.89 2rqb s LEU 913 Cb -0.15 -3.15 -0.27 0.00 0.66 0.00 0.00 46.19 43.28 2rqb s LEU 913 CO 0.10 -2.22 0.73 0.00 -1.89 0.00 0.00 176.35 173.08 2rqb h ALA 914 N 15.96 0.38 -1.33 5.97 0.00 -1.65 -3.49 119.26 135.11 2rqb h ALA 914 Ca -0.34 -1.22 0.32 0.00 0.00 0.00 0.00 54.91 53.67 2rqb h ALA 914 Cb 1.23 0.39 -0.16 0.00 0.00 0.00 0.00 17.79 19.26 2rqb h ALA 914 CO 1.05 1.24 0.87 0.00 0.00 0.00 0.00 179.25 182.42 2rqb s SER 916 N -2.60 5.12 0.14 0.00 1.04 -1.26 -0.14 113.70 115.99 2rqb s SER 916 Ca 0.12 -0.34 -0.22 0.00 0.48 0.00 0.00 55.95 55.99 2rqb s SER 916 Cb 0.03 -1.19 -0.01 0.00 0.10 0.00 0.00 66.02 64.94 2rqb s SER 916 CO -0.04 0.03 1.66 1.23 0.98 0.00 0.00 173.24 177.10 2rqb h GLY 917 N 2.16 -0.12 1.09 7.32 0.00 -1.55 0.74 103.07 112.71 2rqb h GLY 917 Ca -0.47 0.22 0.13 0.00 0.00 0.00 0.00 47.33 47.20 2rqb h GLY 917 CO 0.60 -0.17 0.34 1.05 0.00 0.00 0.00 176.54 178.36 2rqb h GLU 918 N -0.22 0.00 -0.94 4.80 -0.00 -1.51 0.62 114.58 117.33 2rqb h GLU 918 Ca 0.10 0.00 -0.30 0.00 -0.00 0.00 0.00 59.36 59.16 2rqb h GLU 918 Cb 0.37 0.00 -0.18 0.00 -0.00 0.00 0.00 28.75 28.94 2rqb h GLU 918 CO -0.27 0.00 0.38 -3.47 -0.00 0.00 0.00 179.01 175.65 2rqb n ASP 919 N -4.24 3.72 -4.12 3.06 4.64 0.22 -4.86 116.55 114.97 2rqb n ASP 919 Ca 0.07 -3.06 -0.15 0.00 -1.38 0.00 0.00 54.79 50.26 2rqb n ASP 919 Cb 0.53 -0.72 -0.12 0.00 -1.04 0.00 0.00 41.12 39.77 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2rqb s ILE 920 N -2.36 0.82 0.53 5.18 -1.09 0.22 -4.67 121.20 119.83 2rqb s ILE 920 Ca 0.41 -1.20 0.03 0.00 -2.23 0.00 0.00 60.65 57.66 2rqb s ILE 920 Cb 0.34 -0.85 0.01 0.00 -1.58 0.00 0.00 42.46 40.38 2rqb s ILE 920 CO 0.09 -0.32 0.20 -1.00 -1.23 0.00 0.00 174.94 172.68 2rqb s HIS 921 N -1.37 1.73 0.08 3.97 3.76 -1.20 -4.72 115.29 117.54 2rqb s HIS 921 Ca -0.06 -0.90 0.02 0.00 -0.15 0.00 0.00 55.06 53.97 2rqb s HIS 921 Cb -0.10 -1.76 -0.04 0.00 1.11 0.00 0.00 32.58 31.80 2rqb s HIS 921 CO 0.01 -0.13 -0.07 0.08 -0.85 0.00 0.00 174.74 173.78 2rqb s VAL 922 N -2.83 0.69 -0.15 -0.90 1.01 -1.26 -3.79 120.40 113.17 2rqb s VAL 922 Ca 0.19 -1.67 -0.01 0.00 0.00 0.00 0.00 61.98 60.49 2rqb s VAL 922 Cb -0.00 -1.35 0.04 0.00 0.00 0.00 0.00 36.38 35.07 2rqb s VAL 922 CO 0.12 -0.70 -0.02 -0.63 0.00 0.00 0.00 175.10 173.87 2rqb s ILE 923 N -2.86 0.82 -1.06 2.22 -1.09 0.22 -0.66 121.20 118.79 2rqb s ILE 923 Ca 0.05 -0.45 0.00 0.00 -2.23 0.00 0.00 60.65 58.03 2rqb s ILE 923 Cb 0.00 -1.06 0.00 0.00 -1.58 0.00 0.00 42.46 39.82 2rqb s ILE 923 CO -0.03 0.09 0.00 -0.62 -1.23 0.00 0.00 174.94 173.15 2rqb n GLU 924 N 4.97 -2.15 -2.15 2.79 -0.58 -1.26 -0.35 120.64 121.91 2rqb n GLU 924 Ca -0.10 0.60 -0.04 0.00 -0.42 0.00 0.00 57.16 57.20 2rqb n GLU 924 Cb 0.48 -5.16 -0.01 0.00 -0.57 0.00 0.00 31.44 26.18 2rqb n GLU 924 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2rqb n LYS 925 N -2.71 -2.34 0.00 3.49 4.01 -1.26 -4.57 118.16 114.78 2rqb n LYS 925 Ca -0.14 0.21 0.00 0.00 -0.51 0.00 0.00 58.31 57.87 2rqb n LYS 925 Cb 0.59 -4.63 0.00 0.00 -0.51 0.00 0.00 35.03 30.48 2rqb n LYS 925 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2rqb n MET 926 N -2.28 0.00 -4.86 1.97 0.00 0.48 -5.05 117.12 107.38 2rqb n MET 926 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.33 2rqb n MET 926 Cb 0.44 -0.77 -0.14 0.00 0.00 0.00 0.00 33.22 32.75 2rqb n MET 926 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 175.97 174.96 2rqb s HIS 927 N -1.71 2.74 -0.37 3.17 3.76 0.52 -4.98 115.29 118.42 2rqb s HIS 927 Ca 0.00 -0.42 -0.10 0.00 -0.15 0.00 0.00 55.06 54.39 2rqb s HIS 927 Cb 0.00 -1.73 0.03 0.00 1.11 0.00 0.00 32.58 31.99 2rqb s HIS 927 CO 0.00 -0.03 0.19 -1.01 -0.85 0.00 0.00 174.74 173.05 2rqb s HIS 928 N -0.18 3.24 -0.11 1.40 3.76 -1.26 0.70 115.29 122.84 2rqb s HIS 928 Ca -0.00 -1.00 -0.01 0.00 -0.15 0.00 0.00 55.06 53.90 2rqb s HIS 928 Cb -0.13 -2.41 -0.03 0.00 1.11 0.00 0.00 32.58 31.12 2rqb s HIS 928 CO 0.03 -0.65 -0.08 0.14 -0.85 0.00 0.00 174.74 173.34 2rqb s VAL 929 N 1.54 3.59 -0.66 -0.90 -7.23 -1.25 -3.82 120.40 111.66 2rqb s VAL 929 Ca 0.02 -0.49 -0.15 0.00 -1.81 0.00 0.00 61.98 59.54 2rqb s VAL 929 Cb -0.19 -2.51 0.16 0.00 0.56 0.00 0.00 36.38 34.41 2rqb s VAL 929 CO 0.06 0.55 0.63 0.21 -0.31 0.00 0.00 175.10 176.24 2rqb s ASN 930 N -0.19 6.42 -0.12 4.85 2.47 -0.04 -3.27 114.94 125.05 2rqb s ASN 930 Ca 0.02 -2.12 -0.04 0.00 0.42 0.00 0.00 52.86 51.14 2rqb s ASN 930 Cb -0.13 -2.22 -0.11 0.00 -1.45 0.00 0.00 41.25 37.34 2rqb s ASN 930 CO 0.03 -0.77 3.03 0.23 -3.72 0.00 0.00 177.10 175.89 2rqb n MET 931 N 4.86 1.89 -4.05 0.43 2.81 -1.26 -4.06 117.12 117.74 2rqb n MET 931 Ca -0.02 -1.16 -0.35 0.00 -1.81 0.00 0.00 57.70 54.36 2rqb n MET 931 Cb 0.43 -1.82 -0.11 0.00 -0.71 0.00 0.00 33.22 31.01 2rqb n MET 931 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2rqb s THR 932 N -0.14 4.40 -0.00 2.03 2.01 -1.26 -5.00 115.64 117.67 2rqb s THR 932 Ca 0.51 -0.17 -0.21 0.00 0.31 0.00 0.00 61.69 62.13 2rqb s THR 932 Cb 0.27 -2.99 -0.22 0.00 0.01 0.00 0.00 72.50 69.58 2rqb s THR 932 CO -0.05 0.44 1.12 1.55 -0.69 0.00 0.00 174.62 176.98 2rqb h PRO 933 N 7.12 0.35 -0.67 4.92 0.13 -1.99 -3.21 132.00 138.64 2rqb h PRO 933 Ca -0.36 -0.34 0.10 0.00 -0.87 0.00 0.00 66.00 64.54 2rqb h PRO 933 Cb 1.18 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 2rqb h PRO 933 CO 0.65 1.01 0.45 1.05 -0.23 0.00 0.00 178.00 180.92 2rqb h GLU 934 N -0.19 0.49 -0.01 0.86 4.11 -1.99 0.25 114.58 118.10 2rqb h GLU 934 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.36 2rqb h GLU 934 Cb 1.14 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2rqb h GLU 934 CO 0.09 0.32 0.04 0.35 0.07 0.00 0.00 179.01 179.88 2rqb h PHE 935 N 0.50 0.00 0.00 2.06 3.57 -1.85 0.19 116.94 121.41 2rqb h PHE 935 Ca 0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2rqb h PHE 935 Cb 0.55 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2rqb h PHE 935 CO -0.00 0.00 0.00 1.57 -2.23 0.00 0.00 178.31 177.65 2rqb h LYS 936 N 0.00 0.00 -0.33 1.11 2.10 -0.60 0.19 116.57 119.04 2rqb h LYS 936 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2rqb h LYS 936 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2rqb h LYS 936 CO -0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 2rqb n GLU 937 N -2.48 2.24 -0.00 0.07 -0.58 0.66 -4.18 120.64 116.38 2rqb n GLU 937 Ca -0.00 -2.03 0.04 0.00 -0.42 0.00 0.00 57.16 54.74 2rqb n GLU 937 Cb 0.14 -1.39 -0.05 0.00 -0.57 0.00 0.00 31.44 29.57 2rqb n GLU 937 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2rqb n LEU 938 N 1.06 0.18 -4.23 -4.62 4.77 0.55 -5.01 117.00 109.71 2rqb n LEU 938 Ca 0.15 -0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 55.64 2rqb n LEU 938 Cb 0.49 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 2rqb n LEU 938 CO 0.12 0.05 -0.49 -0.72 -1.33 0.00 0.00 177.39 175.02 2rqb s TYR 939 N -2.06 1.52 -0.03 -1.77 -0.85 -0.50 -4.22 117.35 109.44 2rqb s TYR 939 Ca 0.00 -0.43 0.06 0.00 -0.52 0.00 0.00 57.07 56.18 2rqb s TYR 939 Cb 0.05 -0.85 -0.01 0.00 0.38 0.00 0.00 41.96 41.53 2rqb s TYR 939 CO 0.30 0.13 -0.20 0.42 -1.52 0.00 0.00 175.55 174.68 2rqb s ILE 940 N -1.17 1.63 -0.18 -3.49 1.01 0.23 -4.80 121.20 114.43 2rqb s ILE 940 Ca 0.03 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 2rqb s ILE 940 Cb -0.10 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 2rqb s ILE 940 CO 0.03 0.46 0.04 -0.69 0.00 0.00 0.00 174.94 174.78 2rqb s VAL 941 N -0.31 4.57 -0.04 2.92 1.01 -1.26 -0.64 120.40 126.65 2rqb s VAL 941 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2rqb s VAL 941 Cb -0.10 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2rqb s VAL 941 CO 0.01 0.46 0.10 -0.60 0.00 0.00 0.00 175.10 175.06 2rqb s ARG 942 N 0.45 3.18 -0.46 2.72 3.52 -1.07 -4.99 118.95 122.30 2rqb s ARG 942 Ca 0.02 -0.38 -0.27 0.00 -0.13 0.00 0.00 55.73 54.97 2rqb s ARG 942 Cb -0.13 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 2rqb s ARG 942 CO 0.01 0.69 1.92 -2.00 -0.81 0.00 0.00 175.30 175.10 2rqb s GLU 943 N -1.49 2.88 -0.21 5.12 2.12 -1.26 -3.98 118.70 121.89 2rqb s GLU 943 Ca 0.20 1.11 -0.12 0.00 0.36 0.00 0.00 54.97 56.53 2rqb s GLU 943 Cb -0.12 -4.33 0.07 0.00 0.26 0.00 0.00 34.13 30.01 2rqb s GLU 943 CO 0.11 -2.40 0.51 1.21 -0.54 0.00 0.00 175.26 174.14 2rqb s ASN 944 N 7.76 -0.67 0.00 -1.70 2.47 -1.26 -5.01 114.94 116.53 2rqb s ASN 944 Ca 0.78 1.11 0.23 0.00 0.42 0.00 0.00 52.86 55.39 2rqb s ASN 944 Cb -0.18 0.99 0.10 0.00 -1.45 0.00 0.00 41.25 40.71 2rqb s ASN 944 CO 0.27 -0.21 1.14 2.29 -3.72 0.00 0.00 177.10 176.87 2rqb n LYS 945 N 4.26 0.39 0.11 0.43 2.85 -1.26 -3.99 118.16 120.95 2rqb n LYS 945 Ca -0.22 -0.29 0.09 0.00 -1.05 0.00 0.00 58.31 56.83 2rqb n LYS 945 Cb 0.56 -1.49 0.42 0.00 -0.65 0.00 0.00 35.03 33.87 2rqb n LYS 945 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2rqb n ALA 946 N -1.05 1.24 -0.32 0.58 0.00 -1.26 -3.56 120.51 116.14 2rqb n ALA 946 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2rqb n ALA 946 Cb 0.37 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2rqb n ALA 946 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2rqb n LEU 947 N -2.03 0.00 -4.62 0.00 7.99 -1.26 -5.02 117.00 112.06 2rqb n LEU 947 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 56.01 55.70 2rqb n LEU 947 Cb 0.08 -0.29 0.19 0.00 -0.11 0.00 0.00 43.42 43.29 2rqb n LEU 947 CO 0.10 -0.34 0.64 0.00 -1.51 0.00 0.00 177.39 176.28 2rqb s GLN 948 N -0.68 0.48 0.21 3.23 1.03 -1.23 -5.02 119.66 117.68 2rqb s GLN 948 Ca 0.00 1.40 -0.00 0.00 0.04 0.00 0.00 55.36 56.80 2rqb s GLN 948 Cb 0.00 -1.68 0.00 0.00 0.03 0.00 0.00 33.01 31.37 2rqb s GLN 948 CO 0.00 -2.95 0.28 1.63 -2.54 0.00 0.00 175.29 171.71 2rqb n LYS 949 N -4.44 0.41 0.00 9.60 5.02 -1.26 -4.79 118.16 122.69 2rqb n LYS 949 Ca 0.10 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.63 2rqb n LYS 949 Cb 0.52 1.66 0.00 0.00 -0.02 0.00 0.00 35.03 37.19 2rqb n LYS 949 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rqb n LYS 950 N -0.36 0.00 -1.53 1.97 5.02 -1.26 -4.56 118.16 117.43 2rqb n LYS 950 Ca 0.01 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.05 2rqb n LYS 950 Cb 0.36 -0.10 -0.11 0.00 -0.02 0.00 0.00 35.03 35.16 2rqb n LYS 950 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rqb n ALA 952 N 13.63 -3.17 -0.03 0.00 0.00 -1.26 -5.04 120.51 124.63 2rqb n ALA 952 Ca 0.53 -0.73 -0.01 0.00 0.00 0.00 0.00 53.44 53.22 2rqb n ALA 952 Cb 0.33 0.16 -0.08 0.00 0.00 0.00 0.00 19.45 19.86 2rqb n ALA 952 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2rqb n ASP 953 N -1.00 2.64 -4.13 0.00 9.92 -1.26 -4.85 116.55 117.87 2rqb n ASP 953 Ca 0.04 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.92 2rqb n ASP 953 Cb 0.52 0.98 -0.10 0.00 -0.64 0.00 0.00 41.12 41.88 2rqb n ASP 953 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2rqb s TYR 954 N -2.39 3.50 0.37 1.24 2.02 -1.26 -4.84 117.35 115.98 2rqb s TYR 954 Ca -0.04 -2.44 -0.27 0.00 -0.37 0.00 0.00 57.07 53.94 2rqb s TYR 954 Cb 0.04 -3.29 -0.09 0.00 -0.40 0.00 0.00 41.96 38.22 2rqb s TYR 954 CO 0.40 -0.92 1.28 -1.14 -1.57 0.00 0.00 175.55 173.61 2rqb s GLN 955 N 0.61 4.15 0.23 -0.62 2.00 -1.24 -4.67 119.66 120.12 2rqb s GLN 955 Ca 0.12 2.13 0.11 0.00 -2.00 0.00 0.00 55.36 55.72 2rqb s GLN 955 Cb -0.22 -2.88 -0.05 0.00 0.80 0.00 0.00 33.01 30.67 2rqb s GLN 955 CO -0.04 -0.33 -0.17 0.42 -0.50 0.00 0.00 175.29 174.67 2rqb s ILE 956 N -1.23 2.68 -0.15 -2.34 -1.09 -1.26 0.20 121.20 118.02 2rqb s ILE 956 Ca 0.53 -2.09 0.19 0.00 -2.23 0.00 0.00 60.65 57.05 2rqb s ILE 956 Cb -0.38 -2.36 -0.27 0.00 -1.58 0.00 0.00 42.46 37.87 2rqb s ILE 956 CO 0.49 -0.25 0.22 0.59 -1.23 0.00 0.00 174.94 174.76 2rqb n ASN 957 N -0.24 0.05 0.00 3.58 3.02 -0.84 -4.68 115.26 116.14 2rqb n ASN 957 Ca -0.09 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2rqb n ASN 957 Cb 0.58 1.22 0.00 0.00 -0.61 0.00 0.00 39.78 40.97 2rqb n ASN 957 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rqb n GLY 958 N 1.60 -0.50 3.16 7.41 0.00 -1.26 -4.65 105.19 110.94 2rqb n GLY 958 Ca -0.24 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 2rqb n GLY 958 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rqb s GLU 959 N -1.50 1.91 -0.03 1.61 2.12 -1.26 -3.38 118.70 118.18 2rqb s GLU 959 Ca 0.00 -0.66 -0.15 0.00 0.36 0.00 0.00 54.97 54.53 2rqb s GLU 959 Cb 0.00 -1.65 -0.05 0.00 0.26 0.00 0.00 34.13 32.68 2rqb s GLU 959 CO 0.00 0.26 0.40 0.96 -0.54 0.00 0.00 175.26 176.34 2rqb s ILE 960 N 0.01 5.08 0.02 -3.70 -4.36 -1.22 -2.60 121.20 114.44 2rqb s ILE 960 Ca -0.04 0.81 0.01 0.00 -0.26 0.00 0.00 60.65 61.17 2rqb s ILE 960 Cb -0.12 -3.71 -0.02 0.00 1.25 0.00 0.00 42.46 39.86 2rqb s ILE 960 CO 0.02 0.54 -0.04 0.27 0.24 0.00 0.00 174.94 175.97 2rqb s ILE 961 N -0.78 0.23 0.57 8.37 -4.36 0.19 -1.19 121.20 124.24 2rqb s ILE 961 Ca 0.23 -0.91 -0.10 0.00 -0.26 0.00 0.00 60.65 59.62 2rqb s ILE 961 Cb -0.16 -0.35 0.14 0.00 1.25 0.00 0.00 42.46 43.35 2rqb s ILE 961 CO 0.12 -0.43 0.47 0.00 0.24 0.00 0.00 174.94 175.33 2rqb h LYS 963 N 0.00 -0.16 -0.56 0.00 1.79 -1.92 -1.89 116.57 113.82 2rqb h LYS 963 Ca -0.18 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.41 2rqb h LYS 963 Cb 0.57 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.23 2rqb h LYS 963 CO 0.12 0.00 0.38 0.00 -1.08 0.00 0.00 179.45 178.87 2rqb n GLY 965 N -1.55 1.03 3.66 0.00 0.00 -0.71 -5.11 105.19 102.52 2rqb n GLY 965 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 2rqb n GLY 965 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rqb s GLN 966 N -0.02 4.11 -0.78 1.61 2.00 -1.26 -4.74 119.66 120.58 2rqb s GLN 966 Ca 0.00 -0.05 -0.23 0.00 -2.00 0.00 0.00 55.36 53.07 2rqb s GLN 966 Cb 0.00 -3.55 -0.17 0.00 0.80 0.00 0.00 33.01 30.10 2rqb s GLN 966 CO 0.00 -0.01 2.39 0.00 -0.50 0.00 0.00 175.29 177.17 2rqb n ALA 967 N 4.45 0.56 -0.13 1.58 0.00 -1.26 -0.94 120.51 124.76 2rqb n ALA 967 Ca -0.12 -1.14 -0.11 0.00 0.00 0.00 0.00 53.44 52.07 2rqb n ALA 967 Cb 0.52 -3.06 -0.02 0.00 0.00 0.00 0.00 19.45 16.89 2rqb n ALA 967 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 2rqb h TRP 968 N 13.81 0.85 0.00 0.00 6.55 -1.48 -3.43 115.95 132.25 2rqb h TRP 968 Ca -0.05 -0.20 0.00 0.00 0.95 0.00 0.00 58.89 59.60 2rqb h TRP 968 Cb 1.10 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 29.19 2rqb h TRP 968 CO 1.15 0.91 0.00 0.41 -1.05 0.00 0.00 178.44 179.86 2rqb n GLY 969 N -0.14 -0.23 3.46 1.49 0.00 -1.12 -0.31 105.19 108.33 2rqb n GLY 969 Ca -0.02 0.52 -0.10 0.00 0.00 0.00 0.00 46.02 46.43 2rqb n GLY 969 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rqb s THR 970 N 0.00 0.04 -0.51 2.61 -4.23 0.54 -3.37 115.64 110.72 2rqb s THR 970 Ca 0.00 -0.87 -0.06 0.00 -1.18 0.00 0.00 61.69 59.58 2rqb s THR 970 Cb 0.00 -1.57 0.13 0.00 1.34 0.00 0.00 72.50 72.41 2rqb s THR 970 CO 0.00 -0.18 0.36 -0.32 -0.54 0.00 0.00 174.62 173.93 2rqb s MET 971 N -3.88 2.43 0.46 3.99 1.75 -1.22 0.43 119.30 123.27 2rqb s MET 971 Ca 0.10 -2.01 -0.16 0.00 -1.25 0.00 0.00 55.69 52.37 2rqb s MET 971 Cb 0.00 -3.82 -0.08 0.00 2.84 0.00 0.00 34.83 33.77 2rqb s MET 971 CO -0.04 -1.16 0.91 -1.64 -0.65 0.00 0.00 175.02 172.45 2rqb s MET 972 N 0.88 3.98 0.14 4.11 -1.94 0.05 -1.98 119.30 124.54 2rqb s MET 972 Ca 0.10 0.87 0.10 0.00 -1.71 0.00 0.00 55.69 55.05 2rqb s MET 972 Cb -0.23 -2.22 -0.04 0.00 2.01 0.00 0.00 34.83 34.35 2rqb s MET 972 CO -0.03 -0.14 -0.24 0.08 -0.01 0.00 0.00 175.02 174.68 2rqb s VAL 973 N -2.43 2.14 -0.36 -6.03 1.01 0.54 -0.37 120.40 114.91 2rqb s VAL 973 Ca 0.58 -1.80 -0.00 0.00 0.00 0.00 0.00 61.98 60.76 2rqb s VAL 973 Cb -0.10 -1.93 0.13 0.00 0.00 0.00 0.00 36.38 34.48 2rqb s VAL 973 CO 0.26 -0.02 0.19 -2.28 0.00 0.00 0.00 175.10 173.25 2rqb s HIS 974 N -1.30 1.04 -1.96 5.22 5.04 -0.98 -3.61 115.29 118.74 2rqb s HIS 974 Ca 0.14 -1.70 0.00 0.00 -1.54 0.00 0.00 55.06 51.97 2rqb s HIS 974 Cb -0.09 -1.21 0.00 0.00 0.04 0.00 0.00 32.58 31.32 2rqb s HIS 974 CO 0.07 -0.82 0.00 1.63 -2.34 0.00 0.00 174.74 173.27 2rqb n LYS 975 N 4.20 -1.46 0.00 2.88 5.02 -1.26 -0.63 118.16 126.91 2rqb n LYS 975 Ca 0.07 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.47 2rqb n LYS 975 Cb 0.38 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.83 2rqb n LYS 975 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2rqb n GLY 976 N -0.71 0.69 3.87 0.72 0.00 -1.26 -5.10 105.19 103.41 2rqb n GLY 976 Ca -0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 2rqb n GLY 976 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2rqb s LEU 977 N 0.00 2.62 -0.19 0.99 0.20 0.19 -5.06 118.68 117.43 2rqb s LEU 977 Ca 0.00 0.98 -0.00 0.00 0.69 0.00 0.00 54.13 55.80 2rqb s LEU 977 Cb 0.00 -3.59 0.01 0.00 -0.43 0.00 0.00 46.19 42.19 2rqb s LEU 977 CO 0.00 -1.75 -0.15 -1.81 -0.29 0.00 0.00 176.35 172.34 2rqb s ASP 978 N -4.38 3.49 -0.32 3.68 1.01 -1.26 -2.32 116.67 116.57 2rqb s ASP 978 Ca 0.61 -0.61 -0.02 0.00 0.71 0.00 0.00 52.55 53.23 2rqb s ASP 978 Cb -0.12 -1.55 0.11 0.00 1.01 0.00 0.00 42.92 42.38 2rqb s ASP 978 CO 0.51 -0.01 0.16 -0.76 0.21 0.00 0.00 175.17 175.27 2rqb s LEU 979 N 1.33 1.00 -0.24 1.23 1.02 0.50 -4.88 118.68 118.65 2rqb s LEU 979 Ca 0.05 -1.69 -0.29 0.00 0.02 0.00 0.00 54.13 52.22 2rqb s LEU 979 Cb -0.14 -0.46 -0.01 0.00 0.02 0.00 0.00 46.19 45.60 2rqb s LEU 979 CO -0.10 -0.39 1.32 -2.16 0.02 0.00 0.00 176.35 175.04 2rqb s PRO 980 N 1.62 4.02 -0.40 1.29 0.04 -1.26 -0.77 135.00 139.55 2rqb s PRO 980 Ca 0.12 1.45 -0.16 0.00 0.04 0.00 0.00 61.00 62.45 2rqb s PRO 980 Cb -0.19 -3.85 0.01 0.00 0.04 0.00 0.00 34.50 30.51 2rqb s PRO 980 CO -0.21 -0.98 0.40 0.00 0.04 0.00 0.00 177.00 176.25 2rqb s LEU 982 N 2.06 4.37 -0.20 0.00 1.02 -1.25 -0.34 118.68 124.34 2rqb s LEU 982 Ca 0.11 0.47 -0.06 0.00 0.02 0.00 0.00 54.13 54.67 2rqb s LEU 982 Cb -0.17 -2.66 -0.03 0.00 0.02 0.00 0.00 46.19 43.35 2rqb s LEU 982 CO 0.13 0.25 0.04 -0.54 0.02 0.00 0.00 176.35 176.24 2rqb s LYS 983 N -1.85 3.76 0.57 1.70 3.01 0.57 -4.89 119.74 122.61 2rqb s LYS 983 Ca 0.28 -0.45 0.26 0.00 -1.01 0.00 0.00 55.97 55.04 2rqb s LYS 983 Cb -0.13 -3.17 1.62 0.00 -1.01 0.00 0.00 37.83 35.15 2rqb s LYS 983 CO 0.17 0.08 2.19 0.82 0.51 0.00 0.00 175.35 179.12 2rqb h ILE 984 N 5.22 0.66 0.00 2.17 2.04 -1.83 0.35 117.51 126.11 2rqb h ILE 984 Ca -0.36 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2rqb h ILE 984 Cb 1.18 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 2rqb h ILE 984 CO 0.63 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.67 2rqb n ARG 985 N -4.05 0.08 0.00 2.37 1.85 0.17 -0.93 116.66 116.15 2rqb n ARG 985 Ca -0.02 0.25 0.01 0.00 -1.00 0.00 0.00 57.85 57.10 2rqb n ARG 985 Cb 0.15 -1.50 -0.00 0.00 -1.05 0.00 0.00 32.46 30.06 2rqb n ARG 985 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 2rqb n ASN 986 N -1.38 0.57 -3.62 2.89 3.02 0.12 -4.99 115.26 111.88 2rqb n ASN 986 Ca 0.04 -0.78 -0.20 0.00 -0.03 0.00 0.00 54.58 53.60 2rqb n ASN 986 Cb 0.10 0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 39.80 2rqb n ASN 986 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2rqb n PHE 987 N -0.55 0.67 -4.17 3.10 3.01 -0.11 -0.64 117.46 118.78 2rqb n PHE 987 Ca 0.01 -1.60 -0.10 0.00 1.01 0.00 0.00 57.45 56.76 2rqb n PHE 987 Cb 0.05 -0.19 -0.10 0.00 -0.01 0.00 0.00 39.48 39.23 2rqb n PHE 987 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2rqb s VAL 988 N -2.21 0.46 -0.15 -4.37 1.01 -0.44 -4.48 120.40 110.22 2rqb s VAL 988 Ca 0.02 -1.92 0.02 0.00 0.00 0.00 0.00 61.98 60.10 2rqb s VAL 988 Cb 0.00 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.53 2rqb s VAL 988 CO 0.01 -0.69 -0.21 -0.69 0.00 0.00 0.00 175.10 173.53 2rqb s VAL 989 N -3.79 1.98 -0.18 2.92 1.01 -0.81 -1.26 120.40 120.26 2rqb s VAL 989 Ca 0.17 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.22 2rqb s VAL 989 Cb 0.07 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.68 2rqb s VAL 989 CO -0.02 0.53 -0.11 -0.69 0.00 0.00 0.00 175.10 174.81 2rqb s VAL 990 N 0.96 2.88 -0.31 2.92 1.01 -0.90 -0.62 120.40 126.34 2rqb s VAL 990 Ca -0.04 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2rqb s VAL 990 Cb -0.15 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 33.97 2rqb s VAL 990 CO -0.05 0.48 0.64 -0.36 0.00 0.00 0.00 175.10 175.82 2rqb s PHE 991 N 1.13 3.21 -0.57 5.22 0.08 0.72 -2.31 117.98 125.47 2rqb s PHE 991 Ca 0.01 0.60 0.24 0.00 0.12 0.00 0.00 56.93 57.90 2rqb s PHE 991 Cb -0.14 -3.01 0.52 0.00 -0.57 0.00 0.00 43.02 39.81 2rqb s PHE 991 CO -0.04 -0.48 1.61 1.57 -0.10 0.00 0.00 175.22 177.78 2rqb h LYS 992 N 8.18 0.00 0.00 0.44 2.10 -0.87 -1.93 116.57 124.49 2rqb h LYS 992 Ca -0.26 0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.09 2rqb h LYS 992 Cb 1.12 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.40 2rqb h LYS 992 CO 0.81 0.00 -1.99 0.09 -2.00 0.00 0.00 179.45 176.36 2rqb n ASN 993 N -2.62 1.95 0.10 7.07 5.03 -1.26 -4.29 115.26 121.24 2rqb n ASN 993 Ca 0.04 0.34 0.09 0.00 0.87 0.00 0.00 54.58 55.92 2rqb n ASN 993 Cb 0.48 -0.79 0.43 0.00 -1.02 0.00 0.00 39.78 38.87 2rqb n ASN 993 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2rqb n ASN 994 N -4.33 0.43 -3.60 6.41 5.15 -1.26 -4.84 115.26 113.23 2rqb n ASN 994 Ca -0.40 0.65 -0.25 0.00 -0.60 0.00 0.00 54.58 53.99 2rqb n ASN 994 Cb 0.75 -0.73 0.04 0.00 -0.53 0.00 0.00 39.78 39.32 2rqb n ASN 994 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2rqb n SER 995 N -2.03 -4.25 -3.54 1.20 7.64 -0.76 -4.98 113.62 106.90 2rqb n SER 995 Ca 0.01 -0.89 -0.08 0.00 1.01 0.00 0.00 58.87 58.91 2rqb n SER 995 Cb 0.11 -3.97 -0.01 0.00 -1.01 0.00 0.00 64.21 59.33 2rqb n SER 995 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2rqb s THR 996 N -3.53 0.00 -0.15 0.44 2.01 -1.02 -5.01 115.64 108.38 2rqb s THR 996 Ca 0.32 -1.11 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 2rqb s THR 996 Cb -0.09 -2.36 0.05 0.00 0.01 0.00 0.00 72.50 70.11 2rqb s THR 996 CO 0.82 0.00 0.01 -0.75 -0.69 0.00 0.00 174.62 174.02 2rqb s LYS 997 N -3.36 0.73 0.41 4.92 2.20 -1.26 -0.20 119.74 123.18 2rqb s LYS 997 Ca 0.16 -0.25 0.08 0.00 -0.36 0.00 0.00 55.97 55.59 2rqb s LYS 997 Cb -0.04 -1.72 -0.03 0.00 -1.51 0.00 0.00 37.83 34.52 2rqb s LYS 997 CO 0.10 -0.50 0.31 0.15 -0.36 0.00 0.00 175.35 175.04 2rqb s LYS 998 N 1.87 2.44 -0.22 4.03 3.01 0.21 -5.01 119.74 126.07 2rqb s LYS 998 Ca 0.01 -1.63 -0.03 0.00 -1.01 0.00 0.00 55.97 53.32 2rqb s LYS 998 Cb -0.15 -2.25 0.07 0.00 -1.01 0.00 0.00 37.83 34.49 2rqb s LYS 998 CO -0.07 -0.16 0.07 -1.14 0.51 0.00 0.00 175.35 174.56 2rqb s GLN 999 N -4.05 0.47 0.21 1.68 0.74 -1.26 -1.92 119.66 115.53 2rqb s GLN 999 Ca 0.46 -0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.41 2rqb s GLN 999 Cb -0.01 -1.89 0.04 0.00 1.10 0.00 0.00 33.01 32.25 2rqb s GLN 999 CO 0.26 -0.76 0.29 0.66 -0.55 0.00 0.00 175.29 175.20 2rqb n TYR 1000N 5.10 -3.04 0.00 1.67 4.02 -1.26 -5.02 117.16 118.62 2rqb n TYR 1000Ca -0.07 -0.61 0.00 0.00 -0.01 0.00 0.00 57.90 57.21 2rqb n TYR 1000Cb 0.46 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 2rqb n TYR 1000CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2rqb n LYS 1001N -1.51 0.00 -4.46 -0.72 2.85 -1.26 -4.04 118.16 109.03 2rqb n LYS 1001Ca 0.05 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.06 2rqb n LYS 1001Cb 0.19 -0.39 -0.10 0.00 -0.65 0.00 0.00 35.03 34.08 2rqb n LYS 1001CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2rqb s LYS 1002N -2.00 1.64 0.56 -1.58 1.02 -1.26 0.42 119.74 118.53 2rqb s LYS 1002Ca 0.00 -1.70 0.35 0.00 0.02 0.00 0.00 55.97 54.64 2rqb s LYS 1002Cb 0.00 -1.79 1.47 0.00 -0.52 0.00 0.00 37.83 36.99 2rqb s LYS 1002CO 0.00 0.35 2.02 -1.49 -0.92 0.00 0.00 175.35 175.31 2rqb h TRP 1003N 2.53 0.00 0.00 3.18 4.06 -1.96 -1.32 115.95 122.43 2rqb h TRP 1003Ca -0.42 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.48 2rqb h TRP 1003Cb 1.25 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.40 2rqb h TRP 1003CO 0.78 0.00 -0.24 -0.24 -3.56 0.00 0.00 178.44 175.17 2rqb h VAL 1004N 0.00 0.66 0.00 1.49 3.04 -1.97 -1.86 116.25 117.60 2rqb h VAL 1004Ca 0.00 -1.08 0.00 0.00 -1.01 0.00 0.00 66.70 64.61 2rqb h VAL 1004Cb 0.45 1.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.43 2rqb h VAL 1004CO 0.00 0.24 0.00 -0.33 -1.01 0.00 0.00 177.57 176.47 2rqb h GLU 1005N 0.00 0.00 -6.28 4.17 4.39 -1.64 -3.43 114.58 111.78 2rqb h GLU 1005Ca -0.00 0.00 -0.56 0.00 0.34 0.00 0.00 59.36 59.13 2rqb h GLU 1005Cb 0.68 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 2rqb h GLU 1005CO 0.03 0.00 1.12 -1.17 -1.16 0.00 0.00 179.01 177.83 2rqb s LEU 1006N -5.70 3.92 0.00 1.33 2.96 -0.70 -4.84 118.68 115.65 2rqb s LEU 1006Ca 0.06 1.65 0.24 0.00 -0.22 0.00 0.00 54.13 55.85 2rqb s LEU 1006Cb 0.08 -3.53 1.37 0.00 0.50 0.00 0.00 46.19 44.60 2rqb s LEU 1006CO 0.59 -1.23 1.79 -0.81 -1.32 0.00 0.00 176.35 175.37 2rqb n PRO 1007N 7.61 0.65 -3.30 0.98 -0.04 -1.26 -4.72 135.00 134.92 2rqb n PRO 1007Ca 0.19 0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.28 2rqb n PRO 1007Cb 0.45 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 2rqb n PRO 1007CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2rqb s ILE 1008N -2.14 5.05 0.60 0.52 1.09 -1.26 -4.87 121.20 120.19 2rqb s ILE 1008Ca 0.33 1.06 -0.17 0.00 -1.10 0.00 0.00 60.65 60.76 2rqb s ILE 1008Cb 0.16 -3.85 -0.03 0.00 -1.06 0.00 0.00 42.46 37.68 2rqb s ILE 1008CO 0.29 0.40 1.11 0.28 -0.10 0.00 0.00 174.94 176.92 2rqb s THR 1009N 0.03 3.32 0.19 2.92 -1.32 -1.26 -4.96 115.64 114.55 2rqb s THR 1009Ca 0.28 0.70 0.03 0.00 -1.21 0.00 0.00 61.69 61.48 2rqb s THR 1009Cb -0.17 -3.22 -0.05 0.00 -1.51 0.00 0.00 72.50 67.55 2rqb s THR 1009CO 0.14 -0.30 -0.02 -0.36 -2.21 0.00 0.00 174.62 171.87 2rqb s PHE 1010N -2.13 1.33 0.00 9.09 0.40 -1.26 -4.41 117.98 120.99 2rqb s PHE 1010Ca 0.69 -0.95 0.00 0.00 -0.60 0.00 0.00 56.93 56.07 2rqb s PHE 1010Cb -0.21 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.57 2rqb s PHE 1010CO 0.35 -0.11 0.00 -0.35 0.70 0.00 0.00 175.22 175.80 2rqb n PRO 1011N -0.29 0.34 -3.39 0.24 -0.04 -1.26 -5.03 135.00 125.56 2rqb n PRO 1011Ca -0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.25 2rqb n PRO 1011Cb 0.63 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.00 2rqb n PRO 1011CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2rqb s ASN 1012N -1.25 1.02 -0.17 3.54 0.01 -1.26 -4.27 114.94 112.57 2rqb s ASN 1012Ca 0.00 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 51.85 2rqb s ASN 1012Cb 0.00 0.74 0.01 0.00 0.41 0.00 0.00 41.25 42.41 2rqb s ASN 1012CO 0.00 -0.35 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.84 2rqb s LEU 1013N 2.43 2.25 -0.14 0.60 0.20 0.17 -4.89 118.68 119.30 2rqb s LEU 1013Ca 0.10 -0.58 -0.02 0.00 0.69 0.00 0.00 54.13 54.32 2rqb s LEU 1013Cb -0.14 -1.51 0.04 0.00 -0.43 0.00 0.00 46.19 44.15 2rqb s LEU 1013CO -0.23 0.04 0.00 -0.62 -0.29 0.00 0.00 176.35 175.25 2rqb s ASP 1014N 1.07 2.33 0.26 3.68 2.15 -1.26 -4.08 116.67 120.83 2rqb s ASP 1014Ca -0.00 -0.48 0.04 0.00 0.43 0.00 0.00 52.55 52.53 2rqb s ASP 1014Cb -0.14 -0.59 0.70 0.00 -0.30 0.00 0.00 42.92 42.58 2rqb s ASP 1014CO -0.06 -0.24 1.30 0.00 -0.17 0.00 0.00 175.17 176.00 2rqb n TYR 1015N 5.06 0.58 -0.36 -5.34 0.18 -1.26 0.11 117.16 116.14 2rqb n TYR 1015Ca -0.09 1.00 0.05 0.00 1.88 0.00 0.00 57.90 60.74 2rqb n TYR 1015Cb 0.49 -1.16 0.13 0.00 -0.38 0.00 0.00 39.34 38.42 2rqb n TYR 1015CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2rqb n SER 1016N -5.15 -0.38 -0.33 9.48 2.88 -1.26 0.11 113.62 118.97 2rqb n SER 1016Ca 0.21 1.71 0.13 0.00 -1.33 0.00 0.00 58.87 59.59 2rqb n SER 1016Cb 0.69 -0.51 0.26 0.00 -0.75 0.00 0.00 64.21 63.90 2rqb n SER 1016CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2rqb n GLU 1017N -5.61 -0.08 -3.67 -1.46 -0.58 0.31 -4.01 120.64 105.53 2rqb n GLU 1017Ca 0.15 1.43 -0.37 0.00 -0.42 0.00 0.00 57.16 57.96 2rqb n GLU 1017Cb 0.49 -2.25 -0.07 0.00 -0.57 0.00 0.00 31.44 29.04 2rqb n GLU 1017CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqb n LEU 1020N 0.76 2.64 0.03 0.00 4.77 -1.26 -4.23 117.00 119.70 2rqb n LEU 1020Ca 0.28 -0.12 0.04 0.00 -0.03 0.00 0.00 56.01 56.19 2rqb n LEU 1020Cb 0.44 -0.72 0.20 0.00 -2.33 0.00 0.00 43.42 41.01 2rqb n LEU 1020CO 0.35 0.87 0.64 0.49 -1.33 0.00 0.00 177.39 178.40 2rqb n PHE 1021N -3.17 0.13 -1.10 -1.77 3.72 -1.26 -2.94 117.46 111.06 2rqb n PHE 1021Ca -0.43 0.06 -0.17 0.00 -0.05 0.00 0.00 57.45 56.86 2rqb n PHE 1021Cb 0.99 -0.60 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 2rqb n PHE 1021CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2rqb n SER 1022N -1.63 6.03 -0.01 4.37 2.88 -1.26 -3.89 113.62 120.12 2rqb n SER 1022Ca 0.01 -2.89 0.09 0.00 -1.33 0.00 0.00 58.87 54.75 2rqb n SER 1022Cb 0.08 -1.23 -0.13 0.00 -0.75 0.00 0.00 64.21 62.18 2rqb n SER 1022CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rqb n ASP 1023N 1.23 0.77 -4.10 -3.46 4.64 -1.15 -5.00 116.55 109.47 2rqb n ASP 1023Ca 0.37 -0.37 -0.36 0.00 -1.38 0.00 0.00 54.79 53.05 2rqb n ASP 1023Cb 0.64 1.52 0.08 0.00 -1.04 0.00 0.00 41.12 42.32 2rqb n ASP 1023CO 0.00 0.00 0.00 -1.84 -0.82 0.00 0.00 177.20 174.54 2rqb n GLU 1024N -1.86 -0.46 0.00 -0.67 0.28 -1.25 -5.23 120.64 111.45 2rqb n GLU 1024Ca -0.01 -0.13 0.05 0.00 -0.16 0.00 0.00 57.16 56.92 2rqb n GLU 1024Cb 0.41 -1.25 0.04 0.00 1.43 0.00 0.00 31.44 32.07 2rqb n GLU 1024CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72