#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 0.20 -2.70 1.61 -0.04 -1.26 -4.76 135.00 128.04 2rqb n PRO 892 Ca 0.00 0.29 -0.40 0.00 -0.04 0.00 0.00 63.50 63.35 2rqb n PRO 892 Cb 0.00 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 31.61 2rqb n PRO 892 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2rqb s LEU 893 N -4.28 4.59 0.00 1.53 1.43 -1.26 -4.97 118.68 115.71 2rqb s LEU 893 Ca 0.08 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2rqb s LEU 893 Cb 0.11 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2rqb s LEU 893 CO 0.48 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.74 2rqb n GLY 894 N 1.32 0.40 0.12 -3.19 0.00 -1.26 -5.10 105.19 97.47 2rqb n GLY 894 Ca -0.01 0.57 -0.08 0.00 0.00 0.00 0.00 46.02 46.50 2rqb n GLY 894 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rqb n SER 895 N 0.00 1.73 -4.72 1.61 2.88 -1.26 -5.04 113.62 108.82 2rqb n SER 895 Ca 0.00 0.29 -0.21 0.00 -1.33 0.00 0.00 58.87 57.62 2rqb n SER 895 Cb 0.00 -0.70 0.09 0.00 -0.75 0.00 0.00 64.21 62.85 2rqb n SER 895 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2rqb n TYR 896 N -4.24 -2.60 -0.61 0.66 4.02 -1.26 -5.03 117.16 108.10 2rqb n TYR 896 Ca -0.12 -1.92 0.06 0.00 -0.01 0.00 0.00 57.90 55.90 2rqb n TYR 896 Cb 0.45 -0.62 0.11 0.00 -0.02 0.00 0.00 39.34 39.26 2rqb n TYR 896 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2rqb n LYS 897 N -2.51 2.24 -0.69 -0.72 2.85 -1.26 -4.59 118.16 113.48 2rqb n LYS 897 Ca 0.16 -2.21 -0.06 0.00 -1.05 0.00 0.00 58.31 55.15 2rqb n LYS 897 Cb 0.59 -1.36 0.18 0.00 -0.65 0.00 0.00 35.03 33.79 2rqb n LYS 897 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2rqb n ASN 898 N -0.80 3.75 -4.31 -5.58 2.85 -1.26 -4.81 115.26 105.10 2rqb n ASN 898 Ca 0.11 -2.83 -0.33 0.00 -0.11 0.00 0.00 54.58 51.41 2rqb n ASN 898 Cb 0.53 -0.67 -0.15 0.00 1.24 0.00 0.00 39.78 40.72 2rqb n ASN 898 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2rqb s ASN 899 N -0.49 3.90 0.00 1.20 3.84 -1.26 -3.34 114.94 118.79 2rqb s ASN 899 Ca 0.36 -0.40 0.24 0.00 0.21 0.00 0.00 52.86 53.27 2rqb s ASN 899 Cb 0.29 -1.61 1.42 0.00 -0.55 0.00 0.00 41.25 40.80 2rqb s ASN 899 CO 0.09 0.10 1.79 -0.81 -2.79 0.00 0.00 177.10 175.48 2rqb n PRO 900 N 3.98 0.74 0.13 0.43 -0.04 -1.26 -2.43 135.00 136.55 2rqb n PRO 900 Ca -0.19 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.32 2rqb n PRO 900 Cb 0.52 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.50 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 0.64 3.54 0.87 -1.93 -2.01 113.55 114.66 2rqb h SER 901 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.45 2rqb h SER 901 Cb 0.01 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2rqb h SER 901 CO 0.00 0.39 -1.45 0.18 -0.53 0.00 0.00 176.83 175.42 2rqb n LEU 902 N -3.09 0.68 -4.95 2.23 4.77 -1.02 -4.90 117.00 110.72 2rqb n LEU 902 Ca -0.00 0.29 -0.25 0.00 -0.03 0.00 0.00 56.01 56.02 2rqb n LEU 902 Cb 0.71 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.83 2rqb n LEU 902 CO 0.40 0.06 -0.03 0.27 -1.33 0.00 0.00 177.39 176.76 2rqb s ILE 903 N -3.10 5.26 0.21 -0.08 -4.36 -1.21 -0.93 121.20 116.98 2rqb s ILE 903 Ca -0.03 -0.68 -0.05 0.00 -0.26 0.00 0.00 60.65 59.62 2rqb s ILE 903 Cb 0.09 -3.79 -0.03 0.00 1.25 0.00 0.00 42.46 39.99 2rqb s ILE 903 CO 0.82 -0.22 0.24 -0.89 0.24 0.00 0.00 174.94 175.13 2rqb s THR 904 N -1.89 0.01 -0.09 8.37 2.01 -0.66 -3.55 115.64 119.84 2rqb s THR 904 Ca 0.36 -1.78 -0.01 0.00 0.31 0.00 0.00 61.69 60.56 2rqb s THR 904 Cb -0.10 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.03 2rqb s THR 904 CO 0.29 -0.04 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.79 2rqb s PHE 905 N -4.10 3.06 0.12 4.92 0.08 0.12 -2.08 117.98 120.11 2rqb s PHE 905 Ca 0.32 0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.48 2rqb s PHE 905 Cb 0.05 -1.78 -0.04 0.00 -0.57 0.00 0.00 43.02 40.67 2rqb s PHE 905 CO 0.10 0.36 -0.09 -0.51 -0.10 0.00 0.00 175.22 174.98 2rqb s LEU 906 N -0.69 2.50 0.08 -0.37 1.43 0.38 -1.72 118.68 120.29 2rqb s LEU 906 Ca 0.11 -0.97 -0.31 0.00 -1.03 0.00 0.00 54.13 51.93 2rqb s LEU 906 Cb -0.12 -0.24 -0.06 0.00 0.03 0.00 0.00 46.19 45.80 2rqb s LEU 906 CO 0.02 -0.37 1.21 0.00 0.23 0.00 0.00 176.35 177.44 2rqb h LYS 908 N 6.58 -0.94 -0.54 0.00 3.64 -1.67 0.49 116.57 124.13 2rqb h LYS 908 Ca -0.42 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.08 2rqb h LYS 908 Cb 1.21 0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 33.16 2rqb h LYS 908 CO 0.81 -0.63 -0.51 -0.91 -2.27 0.00 0.00 179.45 175.94 2rqb h ASN 909 N -0.97 -1.75 0.00 4.20 4.21 -1.93 -3.40 115.58 115.93 2rqb h ASN 909 Ca -0.09 0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.67 2rqb h ASN 909 Cb 0.78 0.74 0.00 0.00 -1.12 0.00 0.00 38.32 38.72 2rqb h ASN 909 CO 0.09 -0.31 0.00 0.00 -1.29 0.00 0.00 177.43 175.92 2rqb n SER 911 N 0.00 0.00 -4.82 0.00 3.41 0.15 -4.73 113.62 107.63 2rqb n SER 911 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.23 2rqb n SER 911 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2rqb n SER 911 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2rqb s VAL 912 N 0.00 4.79 -0.31 -3.33 -7.23 -1.26 -4.47 120.40 108.59 2rqb s VAL 912 Ca 0.00 1.12 -0.27 0.00 -1.81 0.00 0.00 61.98 61.02 2rqb s VAL 912 Cb 0.00 -3.85 -0.05 0.00 0.56 0.00 0.00 36.38 33.03 2rqb s VAL 912 CO 0.00 0.53 2.24 -0.22 -0.31 0.00 0.00 175.10 177.35 2rqb s LEU 913 N -1.18 3.43 -0.07 1.32 1.98 -1.26 -2.27 118.68 120.62 2rqb s LEU 913 Ca 0.29 1.59 0.00 0.00 -2.89 0.00 0.00 54.13 53.12 2rqb s LEU 913 Cb -0.19 -3.20 -0.26 0.00 0.66 0.00 0.00 46.19 43.20 2rqb s LEU 913 CO 0.18 -2.23 0.55 0.00 -1.89 0.00 0.00 176.35 172.96 2rqb h ALA 914 N 16.28 0.51 -1.11 5.97 0.00 -1.68 -3.49 119.26 135.73 2rqb h ALA 914 Ca -0.35 -1.37 0.38 0.00 0.00 0.00 0.00 54.91 53.57 2rqb h ALA 914 Cb 1.24 0.57 -0.14 0.00 0.00 0.00 0.00 17.79 19.46 2rqb h ALA 914 CO 1.03 1.37 0.96 0.00 0.00 0.00 0.00 179.25 182.61 2rqb s SER 916 N -2.96 4.24 0.25 0.00 1.04 -1.26 0.14 113.70 115.15 2rqb s SER 916 Ca 0.15 -0.38 -0.04 0.00 0.48 0.00 0.00 55.95 56.16 2rqb s SER 916 Cb 0.07 -0.79 0.51 0.00 0.10 0.00 0.00 66.02 65.91 2rqb s SER 916 CO -0.06 0.21 1.68 1.23 0.98 0.00 0.00 173.24 177.28 2rqb h GLY 917 N 3.95 1.10 2.00 7.32 0.00 -1.58 0.74 103.07 116.60 2rqb h GLY 917 Ca -0.49 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2rqb h GLY 917 CO 0.51 -0.22 -0.21 1.05 0.00 0.00 0.00 176.54 177.67 2rqb h GLU 918 N 0.28 0.00 -1.01 4.80 4.11 -1.63 -1.32 114.58 119.81 2rqb h GLU 918 Ca 0.44 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.53 2rqb h GLU 918 Cb 0.77 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 29.82 2rqb h GLU 918 CO -0.53 0.21 0.44 -3.47 0.07 0.00 0.00 179.01 175.73 2rqb n ASP 919 N -4.12 3.57 -4.15 3.06 -0.08 0.25 -4.86 116.55 110.21 2rqb n ASP 919 Ca -0.02 -3.06 -0.15 0.00 -1.51 0.00 0.00 54.79 50.05 2rqb n ASP 919 Cb 0.28 -0.73 -0.11 0.00 2.34 0.00 0.00 41.12 42.90 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2rqb s ILE 920 N -2.19 0.88 0.44 5.18 -1.09 -0.50 -4.61 121.20 119.32 2rqb s ILE 920 Ca 0.38 -1.50 0.05 0.00 -2.23 0.00 0.00 60.65 57.35 2rqb s ILE 920 Cb 0.32 -1.19 -0.06 0.00 -1.58 0.00 0.00 42.46 39.95 2rqb s ILE 920 CO 0.07 -0.49 0.03 -1.00 -1.23 0.00 0.00 174.94 172.32 2rqb s HIS 921 N -2.12 2.34 0.10 3.97 3.76 -1.19 -4.71 115.29 117.43 2rqb s HIS 921 Ca 0.02 -0.74 0.02 0.00 -0.15 0.00 0.00 55.06 54.21 2rqb s HIS 921 Cb -0.05 -1.75 -0.04 0.00 1.11 0.00 0.00 32.58 31.85 2rqb s HIS 921 CO 0.00 0.36 -0.08 0.08 -0.85 0.00 0.00 174.74 174.25 2rqb s VAL 922 N -2.75 0.77 -0.20 -0.90 1.01 -1.26 -3.80 120.40 113.27 2rqb s VAL 922 Ca 0.28 -1.81 -0.00 0.00 0.00 0.00 0.00 61.98 60.45 2rqb s VAL 922 Cb 0.07 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.98 2rqb s VAL 922 CO 0.14 -0.75 -0.03 -0.63 0.00 0.00 0.00 175.10 173.83 2rqb s ILE 923 N -3.14 1.16 -0.10 2.22 1.01 -0.52 0.84 121.20 122.66 2rqb s ILE 923 Ca 0.09 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.88 2rqb s ILE 923 Cb 0.02 -1.44 0.00 0.00 0.01 0.00 0.00 42.46 41.05 2rqb s ILE 923 CO -0.03 -0.04 0.00 -0.62 0.00 0.00 0.00 174.94 174.25 2rqb n GLU 924 N 4.83 -2.65 -3.92 2.79 1.02 -1.26 0.10 120.64 121.55 2rqb n GLU 924 Ca -0.11 0.06 -0.25 0.00 -0.02 0.00 0.00 57.16 56.83 2rqb n GLU 924 Cb 0.46 -4.50 -0.01 0.00 -0.02 0.00 0.00 31.44 27.38 2rqb n GLU 924 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2rqb n LYS 925 N -2.32 -3.70 0.00 3.49 4.01 -1.26 -4.80 118.16 113.58 2rqb n LYS 925 Ca -0.01 0.45 0.00 0.00 -0.51 0.00 0.00 58.31 58.24 2rqb n LYS 925 Cb 0.44 -4.73 0.00 0.00 -0.51 0.00 0.00 35.03 30.23 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 -4.39 0.00 -4.76 1.97 0.00 0.28 -5.06 117.12 105.16 2rqb n MET 926 Ca -0.27 0.00 -0.28 0.00 0.00 0.00 0.00 57.70 57.15 2rqb n MET 926 Cb 0.67 -0.43 -0.14 0.00 0.00 0.00 0.00 33.22 33.32 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 -1.33 2.07 -0.39 3.17 3.76 -1.03 -5.00 115.29 116.54 2rqb s HIS 927 Ca 0.00 -0.39 -0.07 0.00 -0.15 0.00 0.00 55.06 54.45 2rqb s HIS 927 Cb 0.00 -1.23 0.07 0.00 1.11 0.00 0.00 32.58 32.53 2rqb s HIS 927 CO 0.00 0.12 0.19 -1.01 -0.85 0.00 0.00 174.74 173.19 2rqb s HIS 928 N -0.81 3.36 -0.14 1.40 3.76 -1.26 -1.44 115.29 120.15 2rqb s HIS 928 Ca 0.10 -1.70 -0.05 0.00 -0.15 0.00 0.00 55.06 53.26 2rqb s HIS 928 Cb -0.09 -2.79 -0.04 0.00 1.11 0.00 0.00 32.58 30.77 2rqb s HIS 928 CO 0.02 -0.84 0.05 0.14 -0.85 0.00 0.00 174.74 173.26 2rqb s VAL 929 N 1.35 4.70 -0.62 -0.90 -7.23 -1.25 -3.35 120.40 113.10 2rqb s VAL 929 Ca 0.02 -0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 59.99 2rqb s VAL 929 Cb -0.22 -3.06 0.16 0.00 0.56 0.00 0.00 36.38 33.82 2rqb s VAL 929 CO 0.01 0.54 0.53 0.21 -0.31 0.00 0.00 175.10 176.08 2rqb s ASN 930 N -0.28 6.12 -0.17 4.85 3.84 -0.11 -3.17 114.94 126.02 2rqb s ASN 930 Ca 0.08 -2.23 -0.03 0.00 0.21 0.00 0.00 52.86 50.88 2rqb s ASN 930 Cb -0.12 -2.11 -0.04 0.00 -0.55 0.00 0.00 41.25 38.43 2rqb s ASN 930 CO 0.02 -0.67 2.74 0.23 -2.79 0.00 0.00 177.10 176.64 2rqb n MET 931 N 4.54 1.83 -4.07 0.43 2.81 -1.26 -4.05 117.12 117.35 2rqb n MET 931 Ca -0.01 -1.20 -0.35 0.00 -1.81 0.00 0.00 57.70 54.33 2rqb n MET 931 Cb 0.42 -1.73 -0.13 0.00 -0.71 0.00 0.00 33.22 31.07 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 -0.64 3.85 0.04 2.03 2.01 -1.26 -4.99 115.64 116.69 2rqb s THR 932 Ca 0.43 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.91 2rqb s THR 932 Cb 0.25 -2.74 -0.21 0.00 0.01 0.00 0.00 72.50 69.81 2rqb s THR 932 CO -0.05 0.43 1.18 1.55 -0.69 0.00 0.00 174.62 177.03 2rqb h PRO 933 N 7.55 0.56 -0.59 4.92 0.13 -1.99 -3.18 132.00 139.40 2rqb h PRO 933 Ca -0.36 -0.54 0.11 0.00 -0.87 0.00 0.00 66.00 64.34 2rqb h PRO 933 Cb 1.18 0.14 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2rqb h PRO 933 CO 0.61 1.17 0.40 1.05 -0.23 0.00 0.00 178.00 180.99 2rqb h GLU 934 N 0.16 0.32 -0.03 0.86 4.11 -1.99 0.26 114.58 118.26 2rqb h GLU 934 Ca -0.08 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.34 2rqb h GLU 934 Cb 1.38 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 2rqb h GLU 934 CO 0.14 0.21 0.08 0.35 0.07 0.00 0.00 179.01 179.86 2rqb h PHE 935 N 0.32 0.00 0.00 2.06 3.57 -1.84 0.19 116.94 121.24 2rqb h PHE 935 Ca 0.28 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.78 2rqb h PHE 935 Cb 0.65 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.39 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 -0.29 1.11 2.10 -0.62 0.30 116.57 119.17 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 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 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 -3.00 2.21 -0.00 0.07 -0.58 0.65 -4.16 120.64 115.83 2rqb n GLU 937 Ca -0.02 -2.04 0.05 0.00 -0.42 0.00 0.00 57.16 54.73 2rqb n GLU 937 Cb 0.13 -1.42 -0.07 0.00 -0.57 0.00 0.00 31.44 29.50 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 1.20 0.01 -4.30 -4.62 4.77 0.85 -5.00 117.00 109.90 2rqb n LEU 938 Ca 0.16 -0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.88 2rqb n LEU 938 Cb 0.53 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.49 2rqb n LEU 938 CO 0.13 0.00 -0.53 -0.72 -1.33 0.00 0.00 177.39 174.95 2rqb s TYR 939 N -2.65 1.89 -0.04 -1.77 -0.85 0.08 -4.12 117.35 109.89 2rqb s TYR 939 Ca -0.03 -0.41 0.05 0.00 -0.52 0.00 0.00 57.07 56.15 2rqb s TYR 939 Cb 0.06 -1.04 -0.01 0.00 0.38 0.00 0.00 41.96 41.36 2rqb s TYR 939 CO 0.39 0.22 -0.18 0.42 -1.52 0.00 0.00 175.55 174.88 2rqb s ILE 940 N -1.12 1.52 -0.15 -3.49 1.01 0.41 -4.77 121.20 114.62 2rqb s ILE 940 Ca 0.08 -0.77 -0.11 0.00 0.00 0.00 0.00 60.65 59.85 2rqb s ILE 940 Cb -0.10 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.02 2rqb s ILE 940 CO 0.04 0.44 0.20 -0.69 0.00 0.00 0.00 174.94 174.93 2rqb s VAL 941 N -0.03 5.38 -0.21 2.92 1.01 -1.26 -0.75 120.40 127.46 2rqb s VAL 941 Ca -0.03 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.25 2rqb s VAL 941 Cb -0.11 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2rqb s VAL 941 CO 0.02 0.49 -0.03 -0.13 0.00 0.00 0.00 175.10 175.45 2rqb s ARG 942 N -0.14 3.48 -0.57 2.72 3.00 -1.06 -5.01 118.95 121.38 2rqb s ARG 942 Ca 0.14 -0.58 -0.32 0.00 0.00 0.00 0.00 55.73 54.96 2rqb s ARG 942 Cb -0.12 -3.02 -0.14 0.00 0.00 0.00 0.00 34.95 31.67 2rqb s ARG 942 CO 0.03 -0.09 2.38 -1.91 0.00 0.00 0.00 175.30 175.71 2rqb n GLU 943 N 4.50 0.71 -3.68 3.54 2.13 -1.26 -4.14 120.64 122.43 2rqb n GLU 943 Ca -0.18 0.12 -0.10 0.00 0.66 0.00 0.00 57.16 57.66 2rqb n GLU 943 Cb 0.51 -2.39 -0.10 0.00 0.27 0.00 0.00 31.44 29.73 2rqb n GLU 943 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 2rqb s ASN 944 N 8.93 -0.60 0.00 4.31 2.47 -1.26 -5.01 114.94 123.79 2rqb s ASN 944 Ca 1.15 1.01 0.23 0.00 0.42 0.00 0.00 52.86 55.67 2rqb s ASN 944 Cb -0.84 0.90 0.13 0.00 -1.45 0.00 0.00 41.25 39.99 2rqb s ASN 944 CO 0.44 -0.20 1.16 2.29 -3.72 0.00 0.00 177.10 177.07 2rqb n LYS 945 N 4.30 0.44 0.11 0.43 2.85 -1.26 -3.98 118.16 121.04 2rqb n LYS 945 Ca -0.22 -0.33 0.09 0.00 -1.05 0.00 0.00 58.31 56.79 2rqb n LYS 945 Cb 0.56 -1.49 0.43 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 -0.99 1.24 -0.78 0.58 0.00 -1.26 -3.72 120.51 115.57 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 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.55 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 -2.04 0.00 -4.42 0.00 7.99 -1.26 -5.02 117.00 112.25 2rqb n LEU 947 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.68 2rqb n LEU 947 Cb 0.09 -0.09 0.14 0.00 -0.11 0.00 0.00 43.42 43.45 2rqb n LEU 947 CO 0.11 -0.11 -0.08 0.00 -1.51 0.00 0.00 177.39 175.80 2rqb n GLN 948 N -1.65 -0.60 -0.33 3.23 -0.00 -1.24 -5.02 117.38 111.75 2rqb n GLN 948 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.00 56.86 2rqb n GLN 948 Cb 0.00 -1.88 0.00 0.00 -0.00 0.00 0.00 30.24 28.36 2rqb n GLN 948 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2rqb n LYS 949 N -2.09 0.00 -2.32 2.61 5.02 -1.26 -4.81 118.16 115.31 2rqb n LYS 949 Ca 0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.93 2rqb n LYS 949 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 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 0.00 4.28 -3.85 1.97 5.02 -1.26 -4.67 118.16 119.65 2rqb n LYS 950 Ca 0.00 -3.74 -0.37 0.00 -2.02 0.00 0.00 58.31 52.19 2rqb n LYS 950 Cb 0.00 -2.72 -0.06 0.00 -0.02 0.00 0.00 35.03 32.23 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 1.86 2.11 0.08 0.00 0.00 -1.26 -3.93 120.51 119.37 2rqb n ALA 952 Ca -0.19 -0.46 -0.17 0.00 0.00 0.00 0.00 53.44 52.63 2rqb n ALA 952 Cb 0.55 -0.20 -0.14 0.00 0.00 0.00 0.00 19.45 19.65 2rqb n ALA 952 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2rqb h ASP 953 N 0.00 0.43 -1.90 0.00 3.32 -1.96 -3.42 116.42 112.88 2rqb h ASP 953 Ca -0.13 -0.55 -0.40 0.00 0.02 0.00 0.00 57.03 55.97 2rqb h ASP 953 Cb 1.02 -0.14 -0.30 0.00 0.22 0.00 0.00 39.33 40.13 2rqb h ASP 953 CO 0.01 1.45 -0.74 -0.31 -1.72 0.00 0.00 179.24 177.93 2rqb s TYR 954 N -2.62 -0.12 0.32 4.55 2.02 -1.26 -4.93 117.35 115.31 2rqb s TYR 954 Ca -0.08 -1.25 -0.28 0.00 -0.37 0.00 0.00 57.07 55.09 2rqb s TYR 954 Cb 0.07 -0.43 -0.09 0.00 -0.40 0.00 0.00 41.96 41.10 2rqb s TYR 954 CO 0.87 -0.98 1.12 -1.14 -1.57 0.00 0.00 175.55 173.84 2rqb s GLN 955 N 0.90 4.48 0.22 -0.62 -0.44 -1.25 -4.70 119.66 118.25 2rqb s GLN 955 Ca 0.24 1.80 0.09 0.00 -2.50 0.00 0.00 55.36 55.00 2rqb s GLN 955 Cb -0.07 -3.03 -0.04 0.00 -1.64 0.00 0.00 33.01 28.23 2rqb s GLN 955 CO -0.08 0.06 -0.04 0.42 0.50 0.00 0.00 175.29 176.15 2rqb s ILE 956 N -1.26 3.37 -0.06 -2.34 -1.09 -1.26 0.18 121.20 118.75 2rqb s ILE 956 Ca 0.48 -1.75 0.15 0.00 -2.23 0.00 0.00 60.65 57.30 2rqb s ILE 956 Cb -0.31 -2.74 -0.22 0.00 -1.58 0.00 0.00 42.46 37.61 2rqb s ILE 956 CO 0.40 -0.23 0.25 0.59 -1.23 0.00 0.00 174.94 174.72 2rqb n ASN 957 N -0.41 1.39 0.00 3.58 3.02 -0.72 -4.71 115.26 117.41 2rqb n ASN 957 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 2rqb n ASN 957 Cb 0.57 1.45 0.00 0.00 -0.61 0.00 0.00 39.78 41.19 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 1.76 -0.41 3.24 7.41 0.00 -1.26 -4.68 105.19 111.26 2rqb n GLY 958 Ca -0.10 -0.47 -0.26 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.79 1.41 -0.15 1.61 2.12 -1.26 -3.21 118.70 117.43 2rqb s GLU 959 Ca 0.00 -0.91 -0.07 0.00 0.36 0.00 0.00 54.97 54.35 2rqb s GLU 959 Cb 0.00 -1.50 -0.04 0.00 0.26 0.00 0.00 34.13 32.84 2rqb s GLU 959 CO 0.00 0.39 0.10 0.96 -0.54 0.00 0.00 175.26 176.17 2rqb s ILE 960 N -0.76 5.15 0.04 -3.70 -4.36 -1.17 -2.55 121.20 113.86 2rqb s ILE 960 Ca 0.07 0.09 0.03 0.00 -0.26 0.00 0.00 60.65 60.58 2rqb s ILE 960 Cb -0.09 -3.28 -0.02 0.00 1.25 0.00 0.00 42.46 40.32 2rqb s ILE 960 CO 0.01 0.54 -0.09 0.27 0.24 0.00 0.00 174.94 175.91 2rqb s ILE 961 N -0.37 0.66 0.64 8.37 -4.36 0.07 0.66 121.20 126.87 2rqb s ILE 961 Ca 0.10 -1.00 -0.11 0.00 -0.26 0.00 0.00 60.65 59.39 2rqb s ILE 961 Cb -0.12 -0.68 0.16 0.00 1.25 0.00 0.00 42.46 43.08 2rqb s ILE 961 CO 0.01 -0.26 0.50 0.00 0.24 0.00 0.00 174.94 175.43 2rqb h LYS 963 N 0.00 -0.21 -0.92 0.00 1.79 -1.92 -1.52 116.57 113.79 2rqb h LYS 963 Ca -0.20 0.01 0.08 0.00 -2.18 0.00 0.00 60.65 58.36 2rqb h LYS 963 Cb 0.62 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.26 2rqb h LYS 963 CO 0.13 -0.14 0.59 0.00 -1.08 0.00 0.00 179.45 178.95 2rqb n GLY 965 N -1.39 1.30 3.56 0.00 0.00 -0.57 -5.11 105.19 102.98 2rqb n GLY 965 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 3.68 -0.77 1.61 2.00 -1.26 -4.69 119.66 120.21 2rqb s GLN 966 Ca 0.00 -0.20 -0.26 0.00 -2.00 0.00 0.00 55.36 52.90 2rqb s GLN 966 Cb 0.00 -3.78 -0.16 0.00 0.80 0.00 0.00 33.01 29.87 2rqb s GLN 966 CO 0.00 -0.53 2.50 0.00 -0.50 0.00 0.00 175.29 176.76 2rqb n ALA 967 N 5.53 0.58 0.11 1.58 0.00 -1.26 -0.79 120.51 126.26 2rqb n ALA 967 Ca -0.07 -0.73 -0.02 0.00 0.00 0.00 0.00 53.44 52.61 2rqb n ALA 967 Cb 0.49 -2.78 0.19 0.00 0.00 0.00 0.00 19.45 17.36 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 15.03 0.22 0.00 0.00 6.55 -0.08 -3.43 115.95 134.23 2rqb h TRP 968 Ca -0.11 -0.07 0.00 0.00 0.95 0.00 0.00 58.89 59.66 2rqb h TRP 968 Cb 1.24 -0.04 0.00 0.00 -0.86 0.00 0.00 29.16 29.50 2rqb h TRP 968 CO 1.08 0.65 0.00 0.41 -1.05 0.00 0.00 178.44 179.53 2rqb n GLY 969 N 0.01 -0.44 3.26 1.49 0.00 -1.09 -0.21 105.19 108.20 2rqb n GLY 969 Ca -0.02 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 0.10 -0.37 2.61 -4.23 -0.49 -3.03 115.64 110.23 2rqb s THR 970 Ca 0.00 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 59.01 2rqb s THR 970 Cb 0.00 -1.75 0.08 0.00 1.34 0.00 0.00 72.50 72.16 2rqb s THR 970 CO 0.00 -0.44 0.15 -0.32 -0.54 0.00 0.00 174.62 173.47 2rqb s MET 971 N -3.96 2.34 0.82 3.99 1.75 -1.20 0.45 119.30 123.49 2rqb s MET 971 Ca 0.15 -1.50 -0.11 0.00 -1.25 0.00 0.00 55.69 52.98 2rqb s MET 971 Cb 0.05 -3.50 0.11 0.00 2.84 0.00 0.00 34.83 34.32 2rqb s MET 971 CO -0.03 -0.87 1.17 -1.64 -0.65 0.00 0.00 175.02 173.01 2rqb s MET 972 N 1.27 1.66 0.07 4.11 -1.94 0.16 -1.76 119.30 122.88 2rqb s MET 972 Ca 0.02 -0.16 0.01 0.00 -1.71 0.00 0.00 55.69 53.84 2rqb s MET 972 Cb -0.22 -1.99 -0.04 0.00 2.01 0.00 0.00 34.83 34.60 2rqb s MET 972 CO -0.01 -1.72 -0.05 0.08 -0.01 0.00 0.00 175.02 173.31 2rqb s VAL 973 N -3.56 0.46 -0.29 -6.03 1.01 0.49 -1.45 120.40 111.02 2rqb s VAL 973 Ca 0.65 -1.74 0.04 0.00 0.00 0.00 0.00 61.98 60.93 2rqb s VAL 973 Cb -0.09 -1.42 0.18 0.00 0.00 0.00 0.00 36.38 35.05 2rqb s VAL 973 CO 0.49 -0.85 0.53 -2.28 0.00 0.00 0.00 175.10 172.99 2rqb s HIS 974 N -3.38 -1.56 -1.09 5.22 5.04 -1.05 -3.86 115.29 114.62 2rqb s HIS 974 Ca 0.06 0.95 0.00 0.00 -1.54 0.00 0.00 55.06 54.53 2rqb s HIS 974 Cb 0.04 0.21 0.00 0.00 0.04 0.00 0.00 32.58 32.87 2rqb s HIS 974 CO -0.06 -1.02 0.00 1.63 -2.34 0.00 0.00 174.74 172.95 2rqb n LYS 975 N 5.40 -1.57 0.00 2.88 5.02 -1.26 0.00 118.16 128.64 2rqb n LYS 975 Ca 0.03 0.84 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2rqb n LYS 975 Cb 0.52 -5.18 0.00 0.00 -0.02 0.00 0.00 35.03 30.35 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 -0.02 0.79 3.88 0.72 0.00 -1.26 -4.94 105.19 104.37 2rqb n GLY 976 Ca -0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 2.72 -0.27 0.99 1.98 0.10 -5.05 118.68 119.14 2rqb s LEU 977 Ca 0.00 1.03 -0.01 0.00 -2.89 0.00 0.00 54.13 52.27 2rqb s LEU 977 Cb 0.00 -3.70 0.04 0.00 0.66 0.00 0.00 46.19 43.19 2rqb s LEU 977 CO 0.00 -1.62 -0.05 -1.81 -1.89 0.00 0.00 176.35 170.98 2rqb s ASP 978 N -4.37 4.56 -0.39 3.68 1.11 -1.26 -2.54 116.67 117.46 2rqb s ASP 978 Ca 0.60 -1.14 0.03 0.00 0.18 0.00 0.00 52.55 52.22 2rqb s ASP 978 Cb -0.11 -1.66 0.11 0.00 1.07 0.00 0.00 42.92 42.33 2rqb s ASP 978 CO 0.51 -0.20 0.12 -0.76 1.18 0.00 0.00 175.17 176.02 2rqb s LEU 979 N 1.25 4.30 -0.32 1.23 1.43 -0.53 -4.92 118.68 121.12 2rqb s LEU 979 Ca -0.04 -2.34 -0.29 0.00 -1.03 0.00 0.00 54.13 50.43 2rqb s LEU 979 Cb -0.19 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.51 2rqb s LEU 979 CO -0.03 -0.34 1.36 -2.16 0.23 0.00 0.00 176.35 175.41 2rqb s PRO 980 N 0.65 3.83 -0.53 1.29 0.04 -1.26 0.39 135.00 139.42 2rqb s PRO 980 Ca 0.13 1.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 2rqb s PRO 980 Cb -0.21 -3.93 0.06 0.00 0.04 0.00 0.00 34.50 30.46 2rqb s PRO 980 CO -0.07 -1.24 0.74 0.00 0.04 0.00 0.00 177.00 176.46 2rqb s LEU 982 N 3.08 3.66 -0.14 0.00 1.02 -1.21 -1.39 118.68 123.71 2rqb s LEU 982 Ca 0.20 1.34 0.01 0.00 0.02 0.00 0.00 54.13 55.69 2rqb s LEU 982 Cb -0.17 -4.27 0.02 0.00 0.02 0.00 0.00 46.19 41.79 2rqb s LEU 982 CO 0.14 -0.54 -0.14 -0.54 0.02 0.00 0.00 176.35 175.28 2rqb s LYS 983 N -4.14 2.26 0.52 1.70 1.02 0.71 -4.81 119.74 117.00 2rqb s LYS 983 Ca 0.55 -0.55 0.18 0.00 0.02 0.00 0.00 55.97 56.17 2rqb s LYS 983 Cb -0.10 -2.04 1.28 0.00 -0.52 0.00 0.00 37.83 36.45 2rqb s LYS 983 CO 0.35 -0.19 2.10 0.82 -0.92 0.00 0.00 175.35 177.50 2rqb h ILE 984 N 6.03 0.93 0.00 2.17 2.04 -1.85 0.40 117.51 127.24 2rqb h ILE 984 Ca -0.36 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.49 2rqb h ILE 984 Cb 1.15 0.90 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2rqb h ILE 984 CO 0.52 0.01 0.00 -2.11 0.00 0.00 0.00 178.15 176.56 2rqb n ARG 985 N -4.49 0.15 -0.00 2.37 1.85 -0.27 -0.64 116.66 115.61 2rqb n ARG 985 Ca 0.01 0.53 0.03 0.00 -1.00 0.00 0.00 57.85 57.42 2rqb n ARG 985 Cb 0.23 -1.88 0.02 0.00 -1.05 0.00 0.00 32.46 29.78 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 -2.18 1.47 -4.13 2.89 3.02 0.13 -4.99 115.26 111.48 2rqb n ASN 986 Ca 0.00 -1.25 -0.28 0.00 -0.03 0.00 0.00 54.58 53.03 2rqb n ASN 986 Cb 0.11 -0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.21 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 0.28 0.51 -4.14 3.10 3.72 0.18 -2.17 117.46 118.95 2rqb n PHE 987 Ca 0.03 -2.53 -0.09 0.00 -0.05 0.00 0.00 57.45 54.81 2rqb n PHE 987 Cb 0.14 -0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 38.45 2rqb n PHE 987 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2rqb s VAL 988 N -2.96 0.28 -0.04 -4.37 1.01 0.39 -4.53 120.40 110.19 2rqb s VAL 988 Ca 0.13 -1.88 0.06 0.00 0.00 0.00 0.00 61.98 60.29 2rqb s VAL 988 Cb 0.01 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2rqb s VAL 988 CO 0.09 -0.74 -0.22 -0.69 0.00 0.00 0.00 175.10 173.54 2rqb s VAL 989 N -3.90 1.81 -0.04 2.92 1.01 0.21 -0.47 120.40 121.94 2rqb s VAL 989 Ca 0.16 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.21 2rqb s VAL 989 Cb 0.07 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.93 2rqb s VAL 989 CO -0.04 0.51 -0.08 -0.69 0.00 0.00 0.00 175.10 174.80 2rqb s VAL 990 N -0.22 0.79 -0.11 2.92 1.01 -0.88 0.61 120.40 124.52 2rqb s VAL 990 Ca -0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 2rqb s VAL 990 Cb -0.12 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 2rqb s VAL 990 CO 0.02 0.26 0.27 -0.36 0.00 0.00 0.00 175.10 175.30 2rqb s PHE 991 N 0.49 3.56 -0.17 5.22 0.08 -1.08 -1.65 117.98 124.42 2rqb s PHE 991 Ca -0.08 0.66 -0.22 0.00 0.12 0.00 0.00 56.93 57.41 2rqb s PHE 991 Cb -0.12 -2.22 -0.19 0.00 -0.57 0.00 0.00 43.02 39.92 2rqb s PHE 991 CO 0.01 0.47 0.37 -0.22 -0.10 0.00 0.00 175.22 175.74 2rqb h LYS 992 N 5.76 0.00 -1.87 0.44 3.64 -1.37 -3.28 116.57 119.89 2rqb h LYS 992 Ca -0.47 0.00 0.54 0.00 -1.27 0.00 0.00 60.65 59.45 2rqb h LYS 992 Cb 1.19 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 2rqb h LYS 992 CO 0.68 0.87 1.37 -0.91 -2.27 0.00 0.00 179.45 179.19 2rqb h ASN 993 N -1.00 0.00 -3.24 4.20 -0.26 -1.95 -3.33 115.58 110.00 2rqb h ASN 993 Ca -0.18 0.00 -0.22 0.00 -0.56 0.00 0.00 56.30 55.34 2rqb h ASN 993 Cb 1.07 0.00 -0.31 0.00 -1.06 0.00 0.00 38.32 38.02 2rqb h ASN 993 CO -0.11 0.00 -0.53 0.21 -1.06 0.00 0.00 177.43 175.94 2rqb s ASN 994 N -3.97 -0.00 -0.63 5.81 2.47 -1.25 -5.08 114.94 112.29 2rqb s ASN 994 Ca -0.05 0.48 -0.26 0.00 0.42 0.00 0.00 52.86 53.45 2rqb s ASN 994 Cb 0.26 0.41 -0.10 0.00 -1.45 0.00 0.00 41.25 40.37 2rqb s ASN 994 CO 0.87 -0.19 2.39 -0.44 -3.72 0.00 0.00 177.10 176.01 2rqb s SER 995 N 1.59 4.24 0.13 -4.21 0.01 -1.25 -4.30 113.70 109.90 2rqb s SER 995 Ca -0.06 0.59 -0.18 0.00 1.31 0.00 0.00 55.95 57.61 2rqb s SER 995 Cb -0.11 -2.52 0.04 0.00 0.21 0.00 0.00 66.02 63.64 2rqb s SER 995 CO -0.08 -3.29 0.45 -0.89 0.41 0.00 0.00 173.24 169.85 2rqb s THR 996 N 13.19 0.05 -0.18 1.44 2.01 -1.24 -5.05 115.64 125.86 2rqb s THR 996 Ca 0.94 -0.42 -0.02 0.00 0.31 0.00 0.00 61.69 62.50 2rqb s THR 996 Cb -0.15 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.29 2rqb s THR 996 CO 0.18 -0.23 0.02 -0.75 -0.69 0.00 0.00 174.62 173.14 2rqb s LYS 997 N -3.79 0.77 0.10 4.92 2.20 -1.26 -2.64 119.74 120.03 2rqb s LYS 997 Ca 0.02 -0.40 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 2rqb s LYS 997 Cb 0.01 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 2rqb s LYS 997 CO -0.12 -0.58 0.10 0.15 -0.36 0.00 0.00 175.35 174.54 2rqb s LYS 998 N 1.83 2.91 -0.22 4.03 3.01 0.20 -5.00 119.74 126.50 2rqb s LYS 998 Ca -0.00 -0.71 -0.00 0.00 -1.01 0.00 0.00 55.97 54.24 2rqb s LYS 998 Cb -0.16 -2.73 0.06 0.00 -1.01 0.00 0.00 37.83 33.99 2rqb s LYS 998 CO -0.07 0.55 -0.03 -1.14 0.51 0.00 0.00 175.35 175.16 2rqb s GLN 999 N -2.54 1.40 0.44 1.68 0.74 -1.26 -0.62 119.66 119.50 2rqb s GLN 999 Ca 0.30 -0.82 0.07 0.00 0.05 0.00 0.00 55.36 54.96 2rqb s GLN 999 Cb -0.12 -2.43 0.07 0.00 1.10 0.00 0.00 33.01 31.63 2rqb s GLN 999 CO 0.23 -0.59 0.55 0.66 -0.55 0.00 0.00 175.29 175.59 2rqb n TYR 1000N 4.77 -2.15 0.00 1.67 4.02 -1.26 -5.01 117.16 119.20 2rqb n TYR 1000Ca -0.11 -1.64 0.00 0.00 -0.01 0.00 0.00 57.90 56.14 2rqb n TYR 1000Cb 0.45 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.87 0.00 -4.40 -0.72 2.85 -1.26 -4.09 118.16 108.67 2rqb n LYS 1001Ca 0.10 0.00 -0.28 0.00 -1.05 0.00 0.00 58.31 57.08 2rqb n LYS 1001Cb 0.46 -0.55 -0.13 0.00 -0.65 0.00 0.00 35.03 34.16 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 -1.96 1.45 0.35 -1.58 1.02 -1.26 -1.12 119.74 116.64 2rqb s LYS 1002Ca 0.00 -1.41 0.04 0.00 0.02 0.00 0.00 55.97 54.63 2rqb s LYS 1002Cb 0.00 -1.89 0.64 0.00 -0.52 0.00 0.00 37.83 36.06 2rqb s LYS 1002CO 0.00 0.43 1.92 -1.49 -0.92 0.00 0.00 175.35 175.30 2rqb h TRP 1003N 3.64 0.60 -0.48 3.18 4.06 -1.97 -0.22 115.95 124.76 2rqb h TRP 1003Ca -0.49 -0.04 0.14 0.00 2.06 0.00 0.00 58.89 60.56 2rqb h TRP 1003Cb 1.18 -0.18 -0.02 0.00 -1.00 0.00 0.00 29.16 29.14 2rqb h TRP 1003CO 0.63 0.51 0.44 -0.24 -3.56 0.00 0.00 178.44 176.21 2rqb h VAL 1004N 0.58 0.49 -0.17 1.49 3.04 -1.97 0.65 116.25 120.36 2rqb h VAL 1004Ca 0.14 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.70 2rqb h VAL 1004Cb 0.20 0.67 -0.01 0.00 -2.01 0.00 0.00 31.29 30.14 2rqb h VAL 1004CO -0.01 0.00 -0.44 -0.33 -1.01 0.00 0.00 177.57 175.79 2rqb h GLU 1005N 0.00 0.42 -5.90 4.17 4.39 -1.44 -3.43 114.58 112.79 2rqb h GLU 1005Ca 0.23 -0.22 -0.64 0.00 0.34 0.00 0.00 59.36 59.07 2rqb h GLU 1005Cb 1.10 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 2rqb h GLU 1005CO -0.00 0.78 1.46 -0.11 -1.16 0.00 0.00 179.01 179.98 2rqb n LEU 1006N -4.01 2.07 0.00 1.33 7.94 0.23 -4.75 117.00 119.81 2rqb n LEU 1006Ca -0.02 0.31 0.12 0.00 -1.11 0.00 0.00 56.01 55.31 2rqb n LEU 1006Cb 0.52 -1.28 0.64 0.00 0.53 0.00 0.00 43.42 43.83 2rqb n LEU 1006CO 0.44 -0.80 0.88 -0.81 -1.11 0.00 0.00 177.39 175.99 2rqb n PRO 1007N 8.31 0.52 -3.10 1.96 -0.04 -1.26 -4.72 135.00 136.67 2rqb n PRO 1007Ca 0.42 0.04 -0.39 0.00 -0.04 0.00 0.00 63.50 63.52 2rqb n PRO 1007Cb 0.25 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 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 -2.30 5.03 0.30 0.52 1.09 -1.26 -4.90 121.20 119.67 2rqb s ILE 1008Ca 0.28 1.36 -0.29 0.00 -1.10 0.00 0.00 60.65 60.90 2rqb s ILE 1008Cb 0.16 -4.00 -0.10 0.00 -1.06 0.00 0.00 42.46 37.46 2rqb s ILE 1008CO 0.31 0.29 1.37 0.28 -0.10 0.00 0.00 174.94 177.10 2rqb s THR 1009N 0.61 2.65 0.31 2.92 -1.32 -1.21 -4.94 115.64 114.65 2rqb s THR 1009Ca 0.35 0.60 0.07 0.00 -1.21 0.00 0.00 61.69 61.50 2rqb s THR 1009Cb -0.18 -3.38 -0.06 0.00 -1.51 0.00 0.00 72.50 67.37 2rqb s THR 1009CO 0.17 0.12 -0.04 -0.36 -2.21 0.00 0.00 174.62 172.30 2rqb s PHE 1010N -0.66 2.08 0.00 9.09 0.40 -1.26 -4.41 117.98 123.22 2rqb s PHE 1010Ca 0.53 -0.70 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 2rqb s PHE 1010Cb -0.41 -1.24 0.00 0.00 0.51 0.00 0.00 43.02 41.88 2rqb s PHE 1010CO 0.50 0.31 0.00 -0.35 0.70 0.00 0.00 175.22 176.37 2rqb n PRO 1011N -0.67 0.33 -3.36 0.24 -0.04 -1.26 -5.03 135.00 125.21 2rqb n PRO 1011Ca -0.05 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.27 2rqb n PRO 1011Cb 0.64 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 34.02 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 1.10 -0.21 3.54 0.01 -1.26 -4.18 114.94 112.68 2rqb s ASN 1012Ca 0.00 -0.80 -0.02 0.00 -0.71 0.00 0.00 52.86 51.34 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 -0.10 -0.22 -1.51 0.00 0.00 177.10 174.92 2rqb s LEU 1013N 2.23 2.71 -0.55 0.60 0.20 0.25 -4.87 118.68 119.25 2rqb s LEU 1013Ca 0.11 -0.61 -0.18 0.00 0.69 0.00 0.00 54.13 54.14 2rqb s LEU 1013Cb -0.13 -1.63 0.09 0.00 -0.43 0.00 0.00 46.19 44.08 2rqb s LEU 1013CO -0.26 -0.04 0.62 -0.62 -0.29 0.00 0.00 176.35 175.76 2rqb s ASP 1014N 1.37 6.19 0.51 3.68 2.15 -1.26 -3.97 116.67 125.35 2rqb s ASP 1014Ca 0.04 -1.29 0.40 0.00 0.43 0.00 0.00 52.55 52.13 2rqb s ASP 1014Cb -0.14 -2.28 1.58 0.00 -0.30 0.00 0.00 42.92 41.78 2rqb s ASP 1014CO -0.07 -0.96 1.65 0.10 -0.17 0.00 0.00 175.17 175.72 2rqb h TYR 1015N 9.05 0.19 -0.61 -5.34 -0.00 -1.98 0.92 116.97 119.21 2rqb h TYR 1015Ca -0.29 0.01 0.09 0.00 -0.00 0.00 0.00 58.73 58.54 2rqb h TYR 1015Cb 1.09 -0.05 -0.07 0.00 -0.00 0.00 0.00 36.73 37.71 2rqb h TYR 1015CO 0.77 -0.06 0.25 1.03 -0.00 0.00 0.00 178.16 180.15 2rqb h SER 1016N 0.04 0.28 -0.87 0.10 0.87 -2.02 -2.00 113.55 109.96 2rqb h SER 1016Ca 0.81 0.07 0.15 0.00 -1.23 0.00 0.00 61.79 61.59 2rqb h SER 1016Cb 2.97 0.03 -0.15 0.00 -0.44 0.00 0.00 62.40 64.81 2rqb h SER 1016CO -0.15 0.17 -0.28 -0.62 -0.53 0.00 0.00 176.83 175.42 2rqb n GLU 1017N -4.96 -0.15 -1.55 2.24 1.02 0.32 -3.48 120.64 114.08 2rqb n GLU 1017Ca 0.08 1.34 -0.14 0.00 -0.02 0.00 0.00 57.16 58.43 2rqb n GLU 1017Cb 0.25 -2.00 -0.09 0.00 -0.02 0.00 0.00 31.44 29.59 2rqb n GLU 1017CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rqb h LEU 1020N 2.55 0.89 -2.03 0.00 3.38 -1.90 -1.52 115.31 116.67 2rqb h LEU 1020Ca 0.08 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2rqb h LEU 1020Cb 1.71 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.23 2rqb h LEU 1020CO 0.43 0.82 0.00 0.49 0.09 0.00 0.00 178.44 180.27 2rqb n PHE 1021N -4.42 0.90 -1.12 1.13 3.01 -1.26 -4.42 117.46 111.27 2rqb n PHE 1021Ca 0.04 -0.34 -0.18 0.00 1.01 0.00 0.00 57.45 57.99 2rqb n PHE 1021Cb 0.17 -0.21 -0.07 0.00 -0.01 0.00 0.00 39.48 39.37 2rqb n PHE 1021CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2rqb n SER 1022N 0.44 5.96 -0.20 4.37 2.88 -0.57 -3.94 113.62 122.56 2rqb n SER 1022Ca 0.14 -2.87 0.09 0.00 -1.33 0.00 0.00 58.87 54.90 2rqb n SER 1022Cb 0.60 -1.25 0.14 0.00 -0.75 0.00 0.00 64.21 62.96 2rqb n SER 1022CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rqb n ASP 1023N 1.37 2.56 -3.88 -3.46 8.00 -1.26 -5.04 116.55 114.83 2rqb n ASP 1023Ca 0.38 -2.94 -0.30 0.00 0.71 0.00 0.00 54.79 52.65 2rqb n ASP 1023Cb 0.67 -0.40 0.23 0.00 -0.02 0.00 0.00 41.12 41.60 2rqb n ASP 1023CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2rqb s GLU 1024N -2.63 -1.02 0.00 -1.24 0.41 -1.25 -5.26 118.70 107.70 2rqb s GLU 1024Ca 0.30 -0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 2rqb s GLU 1024Cb 0.26 -1.62 0.00 0.00 -1.78 0.00 0.00 34.13 30.99 2rqb s GLU 1024CO 0.04 -3.58 0.06 -0.25 -0.49 0.00 0.00 175.26 171.03