#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqb h PRO 892 N 0.00 -0.05 -6.45 1.61 0.13 -2.08 -3.48 132.00 121.68 2rqb h PRO 892 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2rqb h PRO 892 Cb 0.00 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2rqb h PRO 892 CO 0.00 -0.03 -0.88 1.28 -0.23 0.00 0.00 178.00 178.14 2rqb n LEU 893 N -2.44 -2.32 -4.11 1.56 7.99 -1.26 -4.90 117.00 111.53 2rqb n LEU 893 Ca -0.01 -0.99 -0.21 0.00 -0.01 0.00 0.00 56.01 54.79 2rqb n LEU 893 Cb 0.02 -2.27 -0.15 0.00 -0.11 0.00 0.00 43.42 40.91 2rqb n LEU 893 CO 0.01 0.43 -0.47 -0.83 -1.51 0.00 0.00 177.39 175.03 2rqb s GLY 894 N -4.37 0.68 0.00 -0.72 0.00 -1.26 -4.63 107.32 97.02 2rqb s GLY 894 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.08 2rqb s GLY 894 CO 0.88 -0.56 0.00 -1.26 0.00 0.00 0.00 173.10 172.16 2rqb n SER 895 N 2.53 0.00 -4.69 1.64 2.88 -1.26 -5.14 113.62 109.59 2rqb n SER 895 Ca -0.15 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.13 2rqb n SER 895 Cb 0.55 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.92 2rqb n SER 895 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 2rqb s TYR 896 N -0.48 2.57 0.30 0.66 2.02 -1.26 -5.15 117.35 116.01 2rqb s TYR 896 Ca 0.00 -0.62 0.00 0.00 -0.37 0.00 0.00 57.07 56.08 2rqb s TYR 896 Cb 0.00 -1.88 0.00 0.00 -0.40 0.00 0.00 41.96 39.68 2rqb s TYR 896 CO 0.00 0.29 0.39 1.63 -1.57 0.00 0.00 175.55 176.29 2rqb n LYS 897 N -1.13 0.56 -1.61 -0.62 5.02 -1.26 -4.87 118.16 114.25 2rqb n LYS 897 Ca -0.03 -2.51 -0.20 0.00 -2.02 0.00 0.00 58.31 53.56 2rqb n LYS 897 Cb 0.65 2.34 -0.08 0.00 -0.02 0.00 0.00 35.03 37.92 2rqb n LYS 897 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2rqb n ASN 898 N -1.73 -5.39 -4.49 4.39 2.85 -1.26 -4.95 115.26 104.68 2rqb n ASN 898 Ca 0.02 0.46 -0.35 0.00 -0.11 0.00 0.00 54.58 54.60 2rqb n ASN 898 Cb 0.51 -4.61 -0.12 0.00 1.24 0.00 0.00 39.78 36.80 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 -2.76 4.97 0.00 1.20 3.84 -1.26 -3.31 114.94 117.61 2rqb s ASN 899 Ca 0.00 -0.14 0.24 0.00 0.21 0.00 0.00 52.86 53.17 2rqb s ASN 899 Cb 0.00 -1.84 1.41 0.00 -0.55 0.00 0.00 41.25 40.26 2rqb s ASN 899 CO 0.00 0.10 1.79 -0.81 -2.79 0.00 0.00 177.10 175.38 2rqb n PRO 900 N 4.03 0.72 0.08 0.43 -0.04 -1.26 -2.48 135.00 136.47 2rqb n PRO 900 Ca -0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.27 2rqb n PRO 900 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.07 3.54 0.87 -1.93 -2.42 113.55 114.68 2rqb h SER 901 Ca 0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 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 0.72 -0.98 -0.07 -0.53 0.00 0.00 176.83 175.97 2rqb h LEU 902 N 0.00 0.00-10.01 2.23 3.38 -1.87 -3.46 115.31 105.57 2rqb h LEU 902 Ca -0.07 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.37 2rqb h LEU 902 Cb 1.61 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 2rqb h LEU 902 CO 0.08 0.37 -0.48 0.27 0.09 0.00 0.00 178.44 178.77 2rqb s ILE 903 N -3.07 5.17 0.09 1.22 -4.36 -1.22 0.12 121.20 119.15 2rqb s ILE 903 Ca 0.00 -0.79 -0.09 0.00 -0.26 0.00 0.00 60.65 59.51 2rqb s ILE 903 Cb 0.08 -3.68 -0.00 0.00 1.25 0.00 0.00 42.46 40.12 2rqb s ILE 903 CO 0.78 -0.12 0.19 -0.89 0.24 0.00 0.00 174.94 175.14 2rqb s THR 904 N -1.78 0.14 -0.12 8.37 2.01 -1.05 -3.49 115.64 119.72 2rqb s THR 904 Ca 0.34 -1.17 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 2rqb s THR 904 Cb -0.11 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.03 2rqb s THR 904 CO 0.28 -0.64 0.14 -0.36 -0.69 0.00 0.00 174.62 173.34 2rqb s PHE 905 N -3.86 3.59 0.35 4.92 0.08 0.95 -2.49 117.98 121.51 2rqb s PHE 905 Ca 0.05 0.52 0.04 0.00 0.12 0.00 0.00 56.93 57.66 2rqb s PHE 905 Cb 0.05 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.52 2rqb s PHE 905 CO -0.11 0.72 0.16 -0.51 -0.10 0.00 0.00 175.22 175.38 2rqb s LEU 906 N -0.97 1.83 -0.23 -0.37 1.43 -0.31 -1.94 118.68 118.12 2rqb s LEU 906 Ca 0.15 -1.63 -0.18 0.00 -1.03 0.00 0.00 54.13 51.43 2rqb s LEU 906 Cb -0.12 0.12 -0.03 0.00 0.03 0.00 0.00 46.19 46.19 2rqb s LEU 906 CO 0.04 -0.92 0.53 0.00 0.23 0.00 0.00 176.35 176.22 2rqb h LYS 908 N 7.72 -0.73 -0.32 0.00 3.64 -0.93 0.37 116.57 126.32 2rqb h LYS 908 Ca -0.31 0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.17 2rqb h LYS 908 Cb 1.15 0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 33.05 2rqb h LYS 908 CO 0.73 -0.49 -0.49 -0.91 -2.27 0.00 0.00 179.45 176.02 2rqb h ASN 909 N -0.76 -1.61 0.00 4.20 4.21 -1.94 -3.40 115.58 116.28 2rqb h ASN 909 Ca -0.01 0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.72 2rqb h ASN 909 Cb 0.74 0.67 0.00 0.00 -1.12 0.00 0.00 38.32 38.61 2rqb h ASN 909 CO -0.20 -0.41 0.00 0.00 -1.29 0.00 0.00 177.43 175.53 2rqb n SER 911 N 0.00 0.00 -4.79 0.00 7.64 0.13 -4.75 113.62 111.84 2rqb n SER 911 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 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 5.19 -0.37 0.44 -7.23 -1.26 -4.54 120.40 112.62 2rqb s VAL 912 Ca 0.00 0.71 -0.28 0.00 -1.81 0.00 0.00 61.98 60.61 2rqb s VAL 912 Cb 0.00 -3.68 -0.04 0.00 0.56 0.00 0.00 36.38 33.23 2rqb s VAL 912 CO 0.00 0.48 2.02 -0.22 -0.31 0.00 0.00 175.10 177.07 2rqb s LEU 913 N -0.31 3.44 -0.04 1.32 1.98 -1.26 -2.67 118.68 121.15 2rqb s LEU 913 Ca 0.21 1.26 0.01 0.00 -2.89 0.00 0.00 54.13 52.73 2rqb s LEU 913 Cb -0.15 -3.19 -0.26 0.00 0.66 0.00 0.00 46.19 43.26 2rqb s LEU 913 CO 0.09 -2.08 0.69 0.00 -1.89 0.00 0.00 176.35 173.17 2rqb h ALA 914 N 14.89 0.47 -1.11 5.97 0.00 -1.73 -3.49 119.26 134.26 2rqb h ALA 914 Ca -0.33 -1.28 0.33 0.00 0.00 0.00 0.00 54.91 53.63 2rqb h ALA 914 Cb 1.20 0.43 -0.19 0.00 0.00 0.00 0.00 17.79 19.23 2rqb h ALA 914 CO 1.06 1.33 0.96 0.00 0.00 0.00 0.00 179.25 182.60 2rqb s SER 916 N -2.20 5.41 0.14 0.00 0.15 -1.26 -0.04 113.70 115.90 2rqb s SER 916 Ca 0.12 -0.35 -0.20 0.00 0.70 0.00 0.00 55.95 56.23 2rqb s SER 916 Cb 0.00 -1.24 -0.00 0.00 -1.71 0.00 0.00 66.02 63.07 2rqb s SER 916 CO -0.03 -0.14 1.69 1.23 1.20 0.00 0.00 173.24 177.19 2rqb h GLY 917 N 1.43 0.16 1.77 9.45 0.00 -1.54 0.11 103.07 114.44 2rqb h GLY 917 Ca -0.47 0.09 0.02 0.00 0.00 0.00 0.00 47.33 46.96 2rqb h GLY 917 CO 0.60 -0.10 0.10 1.05 0.00 0.00 0.00 176.54 178.19 2rqb h GLU 918 N -0.01 0.00 -0.92 4.80 -0.00 -1.72 0.34 114.58 117.07 2rqb h GLU 918 Ca 0.11 0.00 -0.35 0.00 -0.00 0.00 0.00 59.36 59.12 2rqb h GLU 918 Cb 0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 28.75 28.73 2rqb h GLU 918 CO -0.25 0.00 0.45 -3.47 -0.00 0.00 0.00 179.01 175.74 2rqb n ASP 919 N -3.54 3.96 -4.19 3.06 4.64 0.35 -4.89 116.55 115.93 2rqb n ASP 919 Ca -0.01 -3.26 -0.14 0.00 -1.38 0.00 0.00 54.79 49.99 2rqb n ASP 919 Cb 0.19 -0.76 -0.11 0.00 -1.04 0.00 0.00 41.12 39.40 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 -2.77 0.97 0.50 5.18 -1.09 0.12 -4.65 121.20 119.45 2rqb s ILE 920 Ca 0.49 -1.76 0.00 0.00 -2.23 0.00 0.00 60.65 57.15 2rqb s ILE 920 Cb 0.40 -1.49 0.00 0.00 -1.58 0.00 0.00 42.46 39.79 2rqb s ILE 920 CO 0.10 -0.63 0.02 1.41 -1.23 0.00 0.00 174.94 174.62 2rqb n HIS 921 N 0.34 1.06 -3.95 3.97 8.25 -1.16 -4.68 115.22 119.06 2rqb n HIS 921 Ca -0.14 -2.42 -0.10 0.00 -0.26 0.00 0.00 57.72 54.80 2rqb n HIS 921 Cb 0.59 -0.33 -0.11 0.00 1.12 0.00 0.00 29.99 31.25 2rqb n HIS 921 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2rqb s VAL 922 N -2.77 0.10 -0.26 1.59 1.01 -1.26 -3.80 120.40 115.01 2rqb s VAL 922 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2rqb s VAL 922 Cb -0.00 -0.28 0.04 0.00 0.00 0.00 0.00 36.38 36.15 2rqb s VAL 922 CO 0.01 -0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 173.97 2rqb s ILE 923 N -1.33 2.60 -1.52 2.22 -1.09 0.09 -2.53 121.20 119.63 2rqb s ILE 923 Ca -0.14 -1.33 -0.18 0.00 -2.23 0.00 0.00 60.65 56.77 2rqb s ILE 923 Cb -0.09 -2.42 0.17 0.00 -1.58 0.00 0.00 42.46 38.54 2rqb s ILE 923 CO -0.00 0.06 0.56 -0.62 -1.23 0.00 0.00 174.94 173.71 2rqb n GLU 924 N 4.57 -1.96 -4.30 2.79 -0.58 -1.26 0.46 120.64 120.35 2rqb n GLU 924 Ca -0.15 0.22 -0.35 0.00 -0.42 0.00 0.00 57.16 56.47 2rqb n GLU 924 Cb 0.45 -4.85 -0.09 0.00 -0.57 0.00 0.00 31.44 26.38 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 -3.89 -0.84 0.00 3.49 4.01 -1.26 -4.68 118.16 114.98 2rqb n LYS 925 Ca 0.08 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.98 2rqb n LYS 925 Cb 0.48 -3.89 0.00 0.00 -0.51 0.00 0.00 35.03 31.11 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 -4.17 0.00 -4.82 1.97 0.00 0.17 -5.09 117.12 105.19 2rqb n MET 926 Ca -0.12 0.00 -0.26 0.00 0.00 0.00 0.00 57.70 57.32 2rqb n MET 926 Cb 0.56 -0.62 -0.15 0.00 0.00 0.00 0.00 33.22 33.00 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 -1.35 1.81 -0.57 3.17 3.76 -0.83 -5.00 115.29 116.28 2rqb s HIS 927 Ca 0.00 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 2rqb s HIS 927 Cb 0.00 -1.12 0.14 0.00 1.11 0.00 0.00 32.58 32.71 2rqb s HIS 927 CO 0.00 0.03 0.51 -1.01 -0.85 0.00 0.00 174.74 173.42 2rqb s HIS 928 N -0.63 3.36 -0.18 1.40 3.76 -1.26 -0.74 115.29 121.00 2rqb s HIS 928 Ca 0.08 -1.51 -0.10 0.00 -0.15 0.00 0.00 55.06 53.37 2rqb s HIS 928 Cb -0.08 -3.74 -0.05 0.00 1.11 0.00 0.00 32.58 29.82 2rqb s HIS 928 CO 0.00 -1.01 0.16 0.14 -0.85 0.00 0.00 174.74 173.19 2rqb s VAL 929 N 1.33 5.41 -0.72 -0.90 -7.23 -1.25 -3.90 120.40 113.14 2rqb s VAL 929 Ca 0.06 0.26 -0.18 0.00 -1.81 0.00 0.00 61.98 60.30 2rqb s VAL 929 Cb -0.26 -3.48 0.13 0.00 0.56 0.00 0.00 36.38 33.32 2rqb s VAL 929 CO 0.01 0.47 0.83 0.21 -0.31 0.00 0.00 175.10 176.30 2rqb s ASN 930 N 0.10 6.40 -0.14 4.85 3.84 -0.01 -3.00 114.94 126.98 2rqb s ASN 930 Ca 0.11 -1.81 -0.04 0.00 0.21 0.00 0.00 52.86 51.33 2rqb s ASN 930 Cb -0.12 -2.31 -0.10 0.00 -0.55 0.00 0.00 41.25 38.18 2rqb s ASN 930 CO 0.00 -1.01 2.99 0.23 -2.79 0.00 0.00 177.10 176.52 2rqb n MET 931 N 5.98 1.91 -3.88 0.43 2.81 -1.26 -4.07 117.12 119.03 2rqb n MET 931 Ca 0.03 -1.21 -0.36 0.00 -1.81 0.00 0.00 57.70 54.35 2rqb n MET 931 Cb 0.45 -1.83 -0.12 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 -0.27 4.21 0.01 2.03 2.01 -1.26 -4.99 115.64 117.38 2rqb s THR 932 Ca 0.50 -0.21 -0.20 0.00 0.31 0.00 0.00 61.69 62.09 2rqb s THR 932 Cb 0.27 -2.94 -0.22 0.00 0.01 0.00 0.00 72.50 69.62 2rqb s THR 932 CO -0.05 0.38 1.13 1.55 -0.69 0.00 0.00 174.62 176.93 2rqb h PRO 933 N 7.87 0.39 -0.46 4.92 0.13 -1.98 -3.21 132.00 139.67 2rqb h PRO 933 Ca -0.38 -0.38 0.03 0.00 -0.87 0.00 0.00 66.00 64.40 2rqb h PRO 933 Cb 1.17 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2rqb h PRO 933 CO 0.60 1.04 0.30 0.93 -0.23 0.00 0.00 178.00 180.65 2rqb h GLU 934 N -0.11 0.48 0.00 0.86 5.08 -1.98 0.78 114.58 119.68 2rqb h GLU 934 Ca -0.05 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2rqb h GLU 934 Cb 1.20 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2rqb h GLU 934 CO 0.10 0.32 -0.00 0.35 -1.00 0.00 0.00 179.01 178.78 2rqb h PHE 935 N 0.50 0.00 0.00 4.33 3.57 -1.83 0.15 116.94 123.66 2rqb h PHE 935 Ca 0.19 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 2rqb h PHE 935 Cb 0.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.86 2rqb h PHE 935 CO -0.00 0.00 0.00 0.36 -2.23 0.00 0.00 178.31 176.44 2rqb n LYS 936 N -3.14 0.16 -0.13 1.11 2.85 0.27 -0.53 118.16 118.75 2rqb n LYS 936 Ca -0.03 0.49 0.09 0.00 -1.05 0.00 0.00 58.31 57.82 2rqb n LYS 936 Cb 0.07 -1.87 0.15 0.00 -0.65 0.00 0.00 35.03 32.73 2rqb n LYS 936 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2rqb n GLU 937 N -2.18 2.09 -0.01 -1.58 -0.58 0.53 -4.21 120.64 114.70 2rqb n GLU 937 Ca 0.01 -1.95 0.05 0.00 -0.42 0.00 0.00 57.16 54.85 2rqb n GLU 937 Cb 0.15 -1.39 -0.09 0.00 -0.57 0.00 0.00 31.44 29.55 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 1.07 0.00 -4.44 -4.62 4.77 0.31 -5.00 117.00 109.09 2rqb n LEU 938 Ca 0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.84 2rqb n LEU 938 Cb 0.49 0.01 -0.12 0.00 -2.33 0.00 0.00 43.42 41.47 2rqb n LEU 938 CO 0.12 0.01 -0.52 -0.72 -1.33 0.00 0.00 177.39 174.94 2rqb s TYR 939 N -2.77 2.41 -0.03 -1.77 -0.85 -0.70 -4.03 117.35 109.61 2rqb s TYR 939 Ca -0.04 -0.32 0.04 0.00 -0.52 0.00 0.00 57.07 56.23 2rqb s TYR 939 Cb 0.07 -1.27 -0.00 0.00 0.38 0.00 0.00 41.96 41.14 2rqb s TYR 939 CO 0.47 0.40 -0.15 0.42 -1.52 0.00 0.00 175.55 175.16 2rqb s ILE 940 N -1.24 1.26 -0.12 -3.49 1.01 0.45 -4.84 121.20 114.25 2rqb s ILE 940 Ca 0.17 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 60.03 2rqb s ILE 940 Cb -0.10 -1.09 -0.05 0.00 0.01 0.00 0.00 42.46 41.24 2rqb s ILE 940 CO 0.09 0.37 0.38 -0.69 0.00 0.00 0.00 174.94 175.09 2rqb s VAL 941 N 0.00 5.22 -0.23 2.92 1.01 -1.26 -0.89 120.40 127.16 2rqb s VAL 941 Ca -0.02 0.75 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 2rqb s VAL 941 Cb -0.10 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 2rqb s VAL 941 CO 0.01 0.40 -0.00 -0.13 0.00 0.00 0.00 175.10 175.38 2rqb s ARG 942 N 0.25 3.44 -0.70 2.72 3.00 -1.08 -5.00 118.95 121.58 2rqb s ARG 942 Ca 0.21 -0.59 -0.35 0.00 0.00 0.00 0.00 55.73 55.00 2rqb s ARG 942 Cb -0.14 -3.12 -0.18 0.00 0.00 0.00 0.00 34.95 31.51 2rqb s ARG 942 CO 0.08 -0.21 2.43 -1.91 0.00 0.00 0.00 175.30 175.69 2rqb n GLU 943 N 4.84 0.28 -3.46 3.54 2.13 -1.26 -4.15 120.64 122.55 2rqb n GLU 943 Ca -0.17 0.04 -0.03 0.00 0.66 0.00 0.00 57.16 57.66 2rqb n GLU 943 Cb 0.51 -1.86 -0.05 0.00 0.27 0.00 0.00 31.44 30.30 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 8.22 -0.71 0.00 4.31 2.47 -1.26 -5.00 114.94 122.97 2rqb s ASN 944 Ca 1.23 0.98 0.27 0.00 0.42 0.00 0.00 52.86 55.76 2rqb s ASN 944 Cb -1.15 1.79 0.83 0.00 -1.45 0.00 0.00 41.25 41.27 2rqb s ASN 944 CO 0.51 -0.25 1.63 2.29 -3.72 0.00 0.00 177.10 177.56 2rqb n LYS 945 N 5.41 0.18 0.15 0.43 2.85 -1.26 -3.53 118.16 122.39 2rqb n LYS 945 Ca -0.07 -0.08 0.11 0.00 -1.05 0.00 0.00 58.31 57.22 2rqb n LYS 945 Cb 0.50 -1.50 0.53 0.00 -0.65 0.00 0.00 35.03 33.91 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 -1.34 1.18 -0.06 0.58 0.00 -1.26 -3.07 120.51 116.54 2rqb n ALA 946 Ca 0.08 0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.61 2rqb n ALA 946 Cb 0.33 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.44 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 -2.20 1.70 -4.79 0.00 7.99 -1.23 -5.00 117.00 113.47 2rqb n LEU 947 Ca -0.01 0.28 -0.36 0.00 -0.01 0.00 0.00 56.01 55.91 2rqb n LEU 947 Cb 0.08 -0.64 -0.04 0.00 -0.11 0.00 0.00 43.42 42.71 2rqb n LEU 947 CO 0.11 -0.39 0.72 0.00 -1.51 0.00 0.00 177.39 176.33 2rqb s GLN 948 N -2.65 4.11 0.33 3.23 1.03 -1.18 -4.98 119.66 119.56 2rqb s GLN 948 Ca -0.22 1.46 0.06 0.00 0.04 0.00 0.00 55.36 56.70 2rqb s GLN 948 Cb 0.03 -2.45 -0.02 0.00 0.03 0.00 0.00 33.01 30.60 2rqb s GLN 948 CO 0.32 -0.18 0.22 1.63 -2.54 0.00 0.00 175.29 174.74 2rqb n LYS 949 N -0.25 0.45 0.00 9.60 5.02 -1.26 -4.67 118.16 127.05 2rqb n LYS 949 Ca 0.06 -3.15 0.00 0.00 -2.02 0.00 0.00 58.31 53.20 2rqb n LYS 949 Cb 0.50 2.29 0.00 0.00 -0.02 0.00 0.00 35.03 37.80 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 -0.68 0.00 -1.53 1.97 4.01 -1.26 -4.51 118.16 116.16 2rqb n LYS 950 Ca 0.03 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.54 2rqb n LYS 950 Cb 0.57 -0.05 -0.12 0.00 -0.51 0.00 0.00 35.03 34.91 2rqb n LYS 950 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2rqb n ALA 952 N 12.77 -2.70 -0.03 0.00 0.00 -1.26 -5.04 120.51 124.26 2rqb n ALA 952 Ca 0.54 -0.62 -0.01 0.00 0.00 0.00 0.00 53.44 53.36 2rqb n ALA 952 Cb 0.29 0.13 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.87 2.71 -4.15 0.00 10.43 -1.26 -4.85 116.55 118.55 2rqb n ASP 953 Ca 0.03 0.00 -0.38 0.00 2.57 0.00 0.00 54.79 57.01 2rqb n ASP 953 Cb 0.44 1.03 -0.09 0.00 1.84 0.00 0.00 41.12 44.34 2rqb n ASP 953 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 2rqb s TYR 954 N -2.42 3.49 0.16 1.24 2.02 -1.26 -4.85 117.35 115.73 2rqb s TYR 954 Ca -0.04 -2.38 -0.31 0.00 -0.37 0.00 0.00 57.07 53.97 2rqb s TYR 954 Cb 0.04 -3.33 -0.09 0.00 -0.40 0.00 0.00 41.96 38.18 2rqb s TYR 954 CO 0.40 -0.93 1.45 -1.14 -1.57 0.00 0.00 175.55 173.76 2rqb s GLN 955 N 0.61 4.28 0.23 -0.62 2.00 -1.06 -4.69 119.66 120.41 2rqb s GLN 955 Ca 0.12 2.20 0.09 0.00 -2.00 0.00 0.00 55.36 55.77 2rqb s GLN 955 Cb -0.21 -3.19 -0.04 0.00 0.80 0.00 0.00 33.01 30.36 2rqb s GLN 955 CO -0.03 -0.48 -0.01 0.42 -0.50 0.00 0.00 175.29 174.69 2rqb s ILE 956 N 0.88 3.55 -0.12 -2.34 -1.09 -1.26 0.18 121.20 121.00 2rqb s ILE 956 Ca 0.65 -1.70 0.18 0.00 -2.23 0.00 0.00 60.65 57.55 2rqb s ILE 956 Cb -0.40 -2.84 -0.26 0.00 -1.58 0.00 0.00 42.46 37.37 2rqb s ILE 956 CO 0.33 -0.26 0.22 0.59 -1.23 0.00 0.00 174.94 174.59 2rqb n ASN 957 N -0.55 0.39 0.00 3.58 3.02 -0.87 -4.68 115.26 116.16 2rqb n ASN 957 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2rqb n ASN 957 Cb 0.57 1.36 0.00 0.00 -0.61 0.00 0.00 39.78 41.10 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 1.64 -0.51 3.09 7.41 0.00 -1.26 -4.70 105.19 110.87 2rqb n GLY 958 Ca -0.19 -0.37 -0.27 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 -1.61 2.09 -0.09 1.61 2.12 -1.26 -3.43 118.70 118.13 2rqb s GLU 959 Ca 0.00 -0.57 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 2rqb s GLU 959 Cb 0.00 -1.67 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 2rqb s GLU 959 CO 0.00 0.10 0.64 0.96 -0.54 0.00 0.00 175.26 176.42 2rqb s ILE 960 N 0.50 5.08 0.03 -3.70 -4.36 -1.19 -2.65 121.20 114.90 2rqb s ILE 960 Ca -0.15 1.31 0.04 0.00 -0.26 0.00 0.00 60.65 61.59 2rqb s ILE 960 Cb -0.16 -3.98 -0.02 0.00 1.25 0.00 0.00 42.46 39.55 2rqb s ILE 960 CO 0.05 0.26 -0.11 0.27 0.24 0.00 0.00 174.94 175.65 2rqb s ILE 961 N 0.85 0.85 0.71 8.37 -4.36 -0.07 -0.02 121.20 127.53 2rqb s ILE 961 Ca 0.34 -0.81 -0.12 0.00 -0.26 0.00 0.00 60.65 59.80 2rqb s ILE 961 Cb -0.17 -0.78 0.18 0.00 1.25 0.00 0.00 42.46 42.95 2rqb s ILE 961 CO 0.16 -0.02 0.48 0.00 0.24 0.00 0.00 174.94 175.80 2rqb h LYS 963 N 0.00 -0.14 -0.74 0.00 1.79 -1.92 -1.88 116.57 113.69 2rqb h LYS 963 Ca -0.20 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.39 2rqb h LYS 963 Cb 0.67 0.03 -0.05 0.00 -1.58 0.00 0.00 32.23 31.30 2rqb h LYS 963 CO 0.13 -0.01 0.49 0.00 -1.08 0.00 0.00 179.45 178.97 2rqb n GLY 965 N -1.49 1.28 3.62 0.00 0.00 -0.70 -5.11 105.19 102.80 2rqb n GLY 965 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.09 4.04 -0.74 1.61 2.00 -1.26 -4.74 119.66 120.49 2rqb s GLN 966 Ca 0.00 -0.02 -0.25 0.00 -2.00 0.00 0.00 55.36 53.10 2rqb s GLN 966 Cb 0.00 -3.62 -0.15 0.00 0.80 0.00 0.00 33.01 30.03 2rqb s GLN 966 CO 0.00 -0.19 2.43 0.00 -0.50 0.00 0.00 175.29 177.04 2rqb n ALA 967 N 5.04 0.61 -0.04 1.58 0.00 -1.26 -0.76 120.51 125.67 2rqb n ALA 967 Ca -0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 53.44 52.31 2rqb n ALA 967 Cb 0.51 -2.96 0.08 0.00 0.00 0.00 0.00 19.45 17.08 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 15.10 0.78 0.00 0.00 6.55 -0.77 -3.43 115.95 134.17 2rqb h TRP 968 Ca -0.10 -0.22 0.00 0.00 0.95 0.00 0.00 58.89 59.52 2rqb h TRP 968 Cb 1.18 -0.17 0.00 0.00 -0.86 0.00 0.00 29.16 29.31 2rqb h TRP 968 CO 1.10 0.94 0.00 0.41 -1.05 0.00 0.00 178.44 179.84 2rqb n GLY 969 N -0.01 -0.45 3.19 1.49 0.00 -1.04 0.47 105.19 108.85 2rqb n GLY 969 Ca -0.02 0.23 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 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 0.07 -0.69 2.61 -4.23 0.86 -3.16 115.64 111.11 2rqb s THR 970 Ca 0.00 -0.58 -0.17 0.00 -1.18 0.00 0.00 61.69 59.76 2rqb s THR 970 Cb 0.00 -0.59 0.15 0.00 1.34 0.00 0.00 72.50 73.40 2rqb s THR 970 CO 0.00 -0.32 0.72 -0.32 -0.54 0.00 0.00 174.62 174.16 2rqb s MET 971 N -1.47 3.26 0.46 3.99 1.75 -1.22 0.19 119.30 126.25 2rqb s MET 971 Ca -0.13 -1.81 -0.16 0.00 -1.25 0.00 0.00 55.69 52.34 2rqb s MET 971 Cb -0.06 -4.40 -0.08 0.00 2.84 0.00 0.00 34.83 33.13 2rqb s MET 971 CO 0.03 -1.44 0.91 -1.64 -0.65 0.00 0.00 175.02 172.22 2rqb s MET 972 N 1.67 3.96 -0.01 4.11 -1.94 -0.72 -2.04 119.30 124.32 2rqb s MET 972 Ca 0.14 0.85 0.03 0.00 -1.71 0.00 0.00 55.69 54.99 2rqb s MET 972 Cb -0.19 -2.23 -0.01 0.00 2.01 0.00 0.00 34.83 34.41 2rqb s MET 972 CO -0.01 -0.14 -0.10 0.08 -0.01 0.00 0.00 175.02 174.84 2rqb s VAL 973 N -2.44 0.81 -0.32 -6.03 1.01 0.47 -1.49 120.40 112.41 2rqb s VAL 973 Ca 0.57 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2rqb s VAL 973 Cb -0.10 -0.69 0.10 0.00 0.00 0.00 0.00 36.38 35.69 2rqb s VAL 973 CO 0.27 0.24 0.07 -2.28 0.00 0.00 0.00 175.10 173.40 2rqb s HIS 974 N -0.14 2.66 -2.09 5.22 5.04 -1.17 -2.55 115.29 122.26 2rqb s HIS 974 Ca 0.02 -2.31 0.00 0.00 -1.54 0.00 0.00 55.06 51.23 2rqb s HIS 974 Cb -0.05 -2.26 0.00 0.00 0.04 0.00 0.00 32.58 30.31 2rqb s HIS 974 CO -0.00 -0.91 0.00 1.63 -2.34 0.00 0.00 174.74 173.12 2rqb n LYS 975 N 4.57 -1.49 0.00 2.88 5.02 -1.26 -0.49 118.16 127.39 2rqb n LYS 975 Ca 0.00 1.17 0.00 0.00 -2.02 0.00 0.00 58.31 57.47 2rqb n LYS 975 Cb 0.42 -5.62 0.00 0.00 -0.02 0.00 0.00 35.03 29.81 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 -0.58 1.03 3.89 0.72 0.00 -1.26 -4.92 105.19 104.07 2rqb n GLY 976 Ca -0.22 0.00 -0.30 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 2.74 -0.29 0.99 2.96 0.36 -5.02 118.68 120.42 2rqb s LEU 977 Ca 0.00 1.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.95 2rqb s LEU 977 Cb 0.00 -3.69 0.08 0.00 0.50 0.00 0.00 46.19 43.08 2rqb s LEU 977 CO 0.00 -1.58 -0.03 1.51 -1.32 0.00 0.00 176.35 174.94 2rqb s ASP 978 N -4.42 4.47 -0.34 3.68 1.47 -1.26 -3.02 116.67 117.25 2rqb s ASP 978 Ca 0.60 -1.68 -0.00 0.00 1.18 0.00 0.00 52.55 52.64 2rqb s ASP 978 Cb -0.11 -1.50 0.11 0.00 -0.34 0.00 0.00 42.92 41.08 2rqb s ASP 978 CO 0.51 -0.28 0.14 -0.76 0.68 0.00 0.00 175.17 175.46 2rqb s LEU 979 N 1.09 2.04 -0.25 2.11 1.02 -0.56 -4.90 118.68 119.23 2rqb s LEU 979 Ca 0.00 -1.87 -0.29 0.00 0.02 0.00 0.00 54.13 51.99 2rqb s LEU 979 Cb -0.19 -0.80 -0.01 0.00 0.02 0.00 0.00 46.19 45.21 2rqb s LEU 979 CO -0.07 -0.38 1.33 -2.16 0.02 0.00 0.00 176.35 175.09 2rqb s PRO 980 N 1.34 3.99 -0.47 1.29 0.04 -1.26 -1.75 135.00 138.18 2rqb s PRO 980 Ca 0.12 1.41 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 2rqb s PRO 980 Cb -0.19 -3.87 0.05 0.00 0.04 0.00 0.00 34.50 30.54 2rqb s PRO 980 CO -0.18 -1.03 0.49 0.00 0.04 0.00 0.00 177.00 176.32 2rqb s LEU 982 N 2.13 3.32 -0.13 0.00 1.02 -1.25 -0.10 118.68 123.68 2rqb s LEU 982 Ca 0.10 0.49 0.01 0.00 0.02 0.00 0.00 54.13 54.74 2rqb s LEU 982 Cb -0.21 -3.32 0.02 0.00 0.02 0.00 0.00 46.19 42.70 2rqb s LEU 982 CO 0.10 -1.01 -0.14 -0.54 0.02 0.00 0.00 176.35 174.78 2rqb s LYS 983 N -4.86 2.18 0.48 1.70 1.02 0.18 -4.88 119.74 115.56 2rqb s LYS 983 Ca 0.53 -0.53 0.32 0.00 0.02 0.00 0.00 55.97 56.32 2rqb s LYS 983 Cb -0.10 -1.97 1.74 0.00 -0.52 0.00 0.00 37.83 36.98 2rqb s LYS 983 CO 0.42 -0.18 1.99 0.82 -0.92 0.00 0.00 175.35 177.48 2rqb h ILE 984 N 6.03 0.00 0.00 2.17 2.04 -1.85 0.33 117.51 126.24 2rqb h ILE 984 Ca -0.35 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.50 2rqb h ILE 984 Cb 1.15 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.97 2rqb h ILE 984 CO 0.50 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.54 2rqb n ARG 985 N -2.64 0.08 0.00 2.37 1.85 0.13 -2.24 116.66 116.21 2rqb n ARG 985 Ca -0.02 0.24 0.01 0.00 -1.00 0.00 0.00 57.85 57.08 2rqb n ARG 985 Cb 0.06 -1.64 0.00 0.00 -1.05 0.00 0.00 32.46 29.83 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 -1.79 0.83 -3.87 2.89 3.02 0.11 -4.98 115.26 111.47 2rqb n ASN 986 Ca 0.04 -0.92 -0.22 0.00 -0.03 0.00 0.00 54.58 53.46 2rqb n ASN 986 Cb 0.25 0.30 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 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 -0.24 0.51 -4.10 3.10 3.01 -0.88 -0.38 117.46 118.48 2rqb n PHE 987 Ca 0.01 -1.71 -0.08 0.00 1.01 0.00 0.00 57.45 56.68 2rqb n PHE 987 Cb 0.04 -0.25 -0.10 0.00 -0.01 0.00 0.00 39.48 39.16 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 -2.20 0.32 -0.16 -4.37 1.01 -0.37 -4.44 120.40 110.19 2rqb s VAL 988 Ca 0.04 -1.74 0.01 0.00 0.00 0.00 0.00 61.98 60.28 2rqb s VAL 988 Cb -0.00 -1.43 0.02 0.00 0.00 0.00 0.00 36.38 34.97 2rqb s VAL 988 CO 0.02 -0.91 -0.16 -0.69 0.00 0.00 0.00 175.10 173.36 2rqb s VAL 989 N -3.58 1.77 -0.19 2.92 1.01 -0.16 -1.16 120.40 121.00 2rqb s VAL 989 Ca 0.06 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 2rqb s VAL 989 Cb 0.05 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2rqb s VAL 989 CO -0.08 0.48 -0.11 -0.69 0.00 0.00 0.00 175.10 174.70 2rqb s VAL 990 N 1.41 2.89 0.09 2.92 1.01 -1.04 0.39 120.40 128.07 2rqb s VAL 990 Ca 0.05 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.09 2rqb s VAL 990 Cb -0.13 -2.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.92 2rqb s VAL 990 CO -0.12 0.48 0.82 -0.36 0.00 0.00 0.00 175.10 175.92 2rqb s PHE 991 N 1.16 3.79 -0.05 5.22 0.08 -1.08 -2.54 117.98 124.57 2rqb s PHE 991 Ca 0.01 1.59 -0.12 0.00 0.12 0.00 0.00 56.93 58.53 2rqb s PHE 991 Cb -0.14 -2.87 -0.31 0.00 -0.57 0.00 0.00 43.02 39.13 2rqb s PHE 991 CO -0.04 0.31 0.66 -0.22 -0.10 0.00 0.00 175.22 175.83 2rqb h LYS 992 N 5.38 0.39 -0.95 0.44 3.64 0.52 -3.36 116.57 122.63 2rqb h LYS 992 Ca -0.44 -0.67 0.13 0.00 -1.27 0.00 0.00 60.65 58.41 2rqb h LYS 992 Cb 1.21 0.25 -0.15 0.00 -0.41 0.00 0.00 32.23 33.13 2rqb h LYS 992 CO 0.70 1.32 -0.43 -0.91 -2.27 0.00 0.00 179.45 177.86 2rqb h ASN 993 N 0.08 -1.58 -4.37 4.20 -0.26 -1.89 -3.40 115.58 108.35 2rqb h ASN 993 Ca -0.34 0.31 -0.46 0.00 -0.56 0.00 0.00 56.30 55.25 2rqb h ASN 993 Cb 2.08 0.79 -0.22 0.00 -1.06 0.00 0.00 38.32 39.90 2rqb h ASN 993 CO 0.17 -0.28 -0.80 0.21 -1.06 0.00 0.00 177.43 175.68 2rqb s ASN 994 N -5.36 1.93 -0.82 5.81 2.47 -1.26 -4.72 114.94 112.99 2rqb s ASN 994 Ca -0.13 -0.61 -0.25 0.00 0.42 0.00 0.00 52.86 52.28 2rqb s ASN 994 Cb 0.18 -0.09 -0.05 0.00 -1.45 0.00 0.00 41.25 39.84 2rqb s ASN 994 CO 0.69 -0.02 2.00 -0.44 -3.72 0.00 0.00 177.10 175.61 2rqb s SER 995 N -1.69 5.01 0.15 -4.21 0.01 -1.26 -4.49 113.70 107.21 2rqb s SER 995 Ca 0.01 -0.33 -0.19 0.00 1.31 0.00 0.00 55.95 56.75 2rqb s SER 995 Cb -0.10 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.63 2rqb s SER 995 CO 0.03 -2.80 0.50 -0.89 0.41 0.00 0.00 173.24 170.48 2rqb s THR 996 N 10.47 0.04 -0.13 1.44 2.01 -1.26 -5.08 115.64 123.13 2rqb s THR 996 Ca 0.73 -0.40 -0.02 0.00 0.31 0.00 0.00 61.69 62.32 2rqb s THR 996 Cb -0.09 -1.17 0.04 0.00 0.01 0.00 0.00 72.50 71.29 2rqb s THR 996 CO 0.06 -0.17 -0.00 -0.75 -0.69 0.00 0.00 174.62 173.07 2rqb s LYS 997 N -3.80 0.83 -0.17 4.92 2.20 -1.26 -2.62 119.74 119.84 2rqb s LYS 997 Ca 0.03 -0.18 -0.05 0.00 -0.36 0.00 0.00 55.97 55.42 2rqb s LYS 997 Cb 0.00 -1.53 -0.03 0.00 -1.51 0.00 0.00 37.83 34.77 2rqb s LYS 997 CO -0.11 -0.42 -0.00 0.15 -0.36 0.00 0.00 175.35 174.61 2rqb s LYS 998 N 1.87 3.76 -0.35 4.03 3.01 0.16 -5.00 119.74 127.22 2rqb s LYS 998 Ca 0.03 -0.47 -0.09 0.00 -1.01 0.00 0.00 55.97 54.43 2rqb s LYS 998 Cb -0.14 -3.03 0.03 0.00 -1.01 0.00 0.00 37.83 33.68 2rqb s LYS 998 CO -0.07 0.22 0.15 -1.14 0.51 0.00 0.00 175.35 175.02 2rqb s GLN 999 N 0.45 2.83 0.00 1.68 0.74 -1.26 -0.99 119.66 123.11 2rqb s GLN 999 Ca -0.01 -1.05 0.00 0.00 0.05 0.00 0.00 55.36 54.34 2rqb s GLN 999 Cb -0.14 -3.57 0.00 0.00 1.10 0.00 0.00 33.01 30.40 2rqb s GLN 999 CO 0.02 -0.63 0.00 0.66 -0.55 0.00 0.00 175.29 174.79 2rqb n TYR 1000N 4.91 -2.68 0.00 1.67 4.02 -1.26 -5.02 117.16 118.80 2rqb n TYR 1000Ca -0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.76 2rqb n TYR 1000Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 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 -0.89 0.00 -4.44 -0.72 2.85 -1.26 -4.21 118.16 109.49 2rqb n LYS 1001Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 2rqb n LYS 1001Cb 0.00 -0.45 -0.11 0.00 -0.65 0.00 0.00 35.03 33.83 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 -1.85 1.58 0.46 -1.58 3.01 -1.26 -0.70 119.74 119.39 2rqb s LYS 1002Ca 0.00 -1.63 0.24 0.00 -1.01 0.00 0.00 55.97 53.56 2rqb s LYS 1002Cb 0.00 -1.77 1.08 0.00 -1.01 0.00 0.00 37.83 36.13 2rqb s LYS 1002CO 0.00 0.36 1.91 -1.49 0.51 0.00 0.00 175.35 176.64 2rqb h TRP 1003N 2.77 0.00 -0.14 3.18 4.06 -1.96 -1.84 115.95 122.03 2rqb h TRP 1003Ca -0.43 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.48 2rqb h TRP 1003Cb 1.23 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.38 2rqb h TRP 1003CO 0.74 0.22 -0.07 -0.24 -3.56 0.00 0.00 178.44 175.53 2rqb h VAL 1004N 0.00 1.13 0.00 1.49 3.04 -1.99 -0.11 116.25 119.81 2rqb h VAL 1004Ca -0.00 -0.57 -0.01 0.00 -1.01 0.00 0.00 66.70 65.11 2rqb h VAL 1004Cb 0.60 1.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 2rqb h VAL 1004CO 0.03 0.18 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.37 2rqb h GLU 1005N 0.20 0.00 -6.33 4.17 4.39 -1.74 -3.41 114.58 111.85 2rqb h GLU 1005Ca 0.04 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.18 2rqb h GLU 1005Cb 0.25 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2rqb h GLU 1005CO 0.01 0.07 1.11 -1.17 -1.16 0.00 0.00 179.01 177.87 2rqb s LEU 1006N -6.55 3.81 0.00 1.33 2.96 -0.06 -4.84 118.68 115.33 2rqb s LEU 1006Ca -0.01 1.41 0.24 0.00 -0.22 0.00 0.00 54.13 55.54 2rqb s LEU 1006Cb 0.11 -3.53 1.42 0.00 0.50 0.00 0.00 46.19 44.69 2rqb s LEU 1006CO 0.54 -1.30 1.79 -0.81 -1.32 0.00 0.00 176.35 175.26 2rqb n PRO 1007N 7.73 0.74 -3.08 0.98 -0.04 -1.26 -4.73 135.00 135.34 2rqb n PRO 1007Ca 0.18 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.25 2rqb n PRO 1007Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.01 4.93 0.28 0.52 1.09 -1.26 -4.82 121.20 119.92 2rqb s ILE 1008Ca 0.36 1.43 -0.29 0.00 -1.10 0.00 0.00 60.65 61.04 2rqb s ILE 1008Cb 0.16 -4.03 -0.09 0.00 -1.06 0.00 0.00 42.46 37.44 2rqb s ILE 1008CO 0.28 0.33 1.11 -0.89 -0.10 0.00 0.00 174.94 175.67 2rqb s THR 1009N 0.30 3.45 0.35 2.92 2.01 -1.21 -4.99 115.64 118.48 2rqb s THR 1009Ca 0.36 1.45 0.08 0.00 0.31 0.00 0.00 61.69 63.89 2rqb s THR 1009Cb -0.19 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 2rqb s THR 1009CO 0.19 0.34 0.20 -0.36 -0.69 0.00 0.00 174.62 174.30 2rqb s PHE 1010N -1.09 2.74 0.00 4.92 0.40 -1.26 -4.54 117.98 119.14 2rqb s PHE 1010Ca 0.45 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.39 2rqb s PHE 1010Cb -0.32 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.46 2rqb s PHE 1010CO 0.41 0.26 0.00 -0.35 0.70 0.00 0.00 175.22 176.24 2rqb n PRO 1011N -1.23 -0.33 -3.35 0.24 -0.04 -1.26 -5.02 135.00 124.00 2rqb n PRO 1011Ca -0.02 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 2rqb n PRO 1011Cb 0.61 0.00 -0.08 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 1.00 0.99 3.54 0.01 -1.26 -4.20 114.94 113.76 2rqb s ASN 1012Ca 0.00 -0.86 0.00 0.00 -0.71 0.00 0.00 52.86 51.29 2rqb s ASN 1012Cb 0.00 0.77 0.00 0.00 0.41 0.00 0.00 41.25 42.43 2rqb s ASN 1012CO 0.00 -0.33 0.00 0.00 -1.51 0.00 0.00 177.10 175.26 2rqb n LEU 1013N 5.00 0.00 -3.45 0.60 -0.00 -1.05 -4.96 117.00 113.14 2rqb n LEU 1013Ca 0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.95 2rqb n LEU 1013Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.81 2rqb n LEU 1013CO 0.02 -0.65 -0.02 -1.81 -0.00 0.00 0.00 177.39 174.92 2rqb s ASP 1014N -1.16 0.03 0.26 1.45 1.01 -1.26 -4.81 116.67 112.19 2rqb s ASP 1014Ca 0.00 0.50 -0.06 0.00 0.71 0.00 0.00 52.55 53.70 2rqb s ASP 1014Cb 0.00 1.21 0.45 0.00 1.01 0.00 0.00 42.92 45.59 2rqb s ASP 1014CO 0.00 -0.27 1.41 -1.22 0.21 0.00 0.00 175.17 175.30 2rqb n TYR 1015N 5.37 0.36 -0.31 4.23 4.01 -1.26 0.15 117.16 129.71 2rqb n TYR 1015Ca -0.05 1.10 0.11 0.00 -0.16 0.00 0.00 57.90 58.90 2rqb n TYR 1015Cb 0.50 -1.04 0.25 0.00 -0.31 0.00 0.00 39.34 38.73 2rqb n TYR 1015CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2rqb h SER 1016N 0.00 -0.40 -0.96 7.72 0.87 -2.05 0.50 113.55 119.22 2rqb h SER 1016Ca 0.45 0.25 0.25 0.00 -1.23 0.00 0.00 61.79 61.50 2rqb h SER 1016Cb 0.72 0.42 -0.18 0.00 -0.44 0.00 0.00 62.40 62.92 2rqb h SER 1016CO -0.92 -0.28 -0.04 -0.62 -0.53 0.00 0.00 176.83 174.43 2rqb n GLU 1017N -5.42 -0.08 -1.87 2.24 -0.58 0.39 -4.10 120.64 111.21 2rqb n GLU 1017Ca 0.20 1.46 -0.42 0.00 -0.42 0.00 0.00 57.16 57.97 2rqb n GLU 1017Cb 0.66 -2.28 -0.03 0.00 -0.57 0.00 0.00 31.44 29.22 2rqb n GLU 1017CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2rqb h LEU 1020N 2.38 0.55 -1.77 0.00 3.38 -1.93 -3.33 115.31 114.59 2rqb h LEU 1020Ca 0.33 -0.94 0.51 0.00 0.09 0.00 0.00 57.88 57.87 2rqb h LEU 1020Cb 1.25 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.75 2rqb h LEU 1020CO 0.79 1.80 1.31 0.49 0.09 0.00 0.00 178.44 182.92 2rqb n PHE 1021N -3.59 0.00 -1.53 1.13 3.72 -1.26 -4.21 117.46 111.72 2rqb n PHE 1021Ca -0.27 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 56.73 2rqb n PHE 1021Cb 1.06 -0.44 -0.06 0.00 -0.94 0.00 0.00 39.48 39.09 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 -3.72 1.95 -0.06 4.37 2.88 -1.25 -4.66 113.62 113.12 2rqb n SER 1022Ca 0.40 -0.19 -0.09 0.00 -1.33 0.00 0.00 58.87 57.66 2rqb n SER 1022Cb 1.84 -1.40 -0.05 0.00 -0.75 0.00 0.00 64.21 63.84 2rqb n SER 1022CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2rqb n ASP 1023N 13.70 2.69 -4.54 -3.46 5.75 -1.26 -5.03 116.55 124.40 2rqb n ASP 1023Ca 0.43 -0.02 -0.34 0.00 -0.01 0.00 0.00 54.79 54.85 2rqb n ASP 1023Cb 0.39 -0.22 0.11 0.00 -1.03 0.00 0.00 41.12 40.38 2rqb n ASP 1023CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2rqb n GLU 1024N -2.97 0.04 0.00 0.11 1.02 -1.26 -5.27 120.64 112.31 2rqb n GLU 1024Ca -0.21 0.07 0.05 0.00 -0.02 0.00 0.00 57.16 57.05 2rqb n GLU 1024Cb 0.71 -2.07 0.29 0.00 -0.02 0.00 0.00 31.44 30.35 2rqb n GLU 1024CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84