#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 -0.51 -3.31 1.61 -0.04 -1.26 -5.11 135.00 126.38 2rqb n PRO 892 Ca 0.00 -0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.33 2rqb n PRO 892 Cb 0.00 -0.01 -0.05 0.00 -0.04 0.00 0.00 33.50 33.40 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 0.00 0.00 -4.79 1.53 7.99 -1.26 -5.03 117.00 115.44 2rqb n LEU 893 Ca 0.00 -1.84 -0.23 0.00 -0.01 0.00 0.00 56.01 53.93 2rqb n LEU 893 Cb 0.01 0.95 -0.06 0.00 -0.11 0.00 0.00 43.42 44.21 2rqb n LEU 893 CO 0.00 -0.31 -0.10 -0.83 -1.51 0.00 0.00 177.39 174.65 2rqb s GLY 894 N -2.36 2.22 0.08 -0.72 0.00 -1.18 -5.01 107.32 100.34 2rqb s GLY 894 Ca 0.23 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2rqb s GLY 894 CO 0.16 -1.81 0.00 -1.26 0.00 0.00 0.00 173.10 170.19 2rqb n SER 895 N -1.35 0.43 -4.02 1.64 2.88 -1.26 -5.05 113.62 106.90 2rqb n SER 895 Ca 0.00 0.13 -0.30 0.00 -1.33 0.00 0.00 58.87 57.37 2rqb n SER 895 Cb 0.63 -0.08 0.10 0.00 -0.75 0.00 0.00 64.21 64.11 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 -3.05 -1.49 -3.60 0.66 4.01 -1.26 -5.03 117.16 107.41 2rqb n TYR 896 Ca 0.00 0.38 -0.05 0.00 -0.16 0.00 0.00 57.90 58.07 2rqb n TYR 896 Cb 0.00 -1.45 -0.03 0.00 -0.31 0.00 0.00 39.34 37.56 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 -2.75 0.33 -0.88 -0.72 2.20 -1.26 -4.97 119.74 111.69 2rqb s LYS 897 Ca 0.40 -0.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 2rqb s LYS 897 Cb -0.01 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 2rqb s LYS 897 CO 0.56 -0.13 0.00 -1.71 -0.36 0.00 0.00 175.35 173.70 2rqb n ASN 898 N 0.09 -3.45 -4.23 1.43 4.05 -1.26 -5.01 115.26 106.88 2rqb n ASN 898 Ca -0.01 0.02 -0.32 0.00 0.45 0.00 0.00 54.58 54.71 2rqb n ASN 898 Cb 0.58 -2.62 -0.17 0.00 1.23 0.00 0.00 39.78 38.80 2rqb n ASN 898 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2rqb s ASN 899 N -2.58 3.17 0.00 1.20 2.47 -1.26 -3.83 114.94 114.11 2rqb s ASN 899 Ca 0.00 -0.54 0.24 0.00 0.42 0.00 0.00 52.86 52.98 2rqb s ASN 899 Cb 0.00 -1.43 1.44 0.00 -1.45 0.00 0.00 41.25 39.81 2rqb s ASN 899 CO 0.00 0.15 1.80 -0.81 -3.72 0.00 0.00 177.10 174.52 2rqb n PRO 900 N 3.57 0.75 0.10 0.43 -0.04 -1.26 -2.43 135.00 136.13 2rqb n PRO 900 Ca -0.19 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.29 2rqb n PRO 900 Cb 0.53 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.48 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 0.80 3.54 0.87 -1.94 -2.19 113.55 114.64 2rqb h SER 901 Ca 0.00 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.35 2rqb h SER 901 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 2rqb h SER 901 CO 0.00 0.50 -1.31 -0.07 -0.53 0.00 0.00 176.83 175.42 2rqb h LEU 902 N 0.00 0.00-10.09 2.23 3.38 -1.86 -3.46 115.31 105.50 2rqb h LEU 902 Ca -0.06 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.39 2rqb h LEU 902 Cb 1.43 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.17 2rqb h LEU 902 CO 0.05 0.82 -0.29 0.27 0.09 0.00 0.00 178.44 179.38 2rqb s ILE 903 N -2.76 5.17 0.08 1.22 -4.36 -1.23 0.15 121.20 119.47 2rqb s ILE 903 Ca -0.02 -0.33 -0.08 0.00 -0.26 0.00 0.00 60.65 59.96 2rqb s ILE 903 Cb 0.09 -3.75 -0.00 0.00 1.25 0.00 0.00 42.46 40.04 2rqb s ILE 903 CO 0.81 -0.24 0.18 -0.89 0.24 0.00 0.00 174.94 175.03 2rqb s THR 904 N -1.95 0.14 -0.12 8.37 2.01 -0.99 -3.45 115.64 119.65 2rqb s THR 904 Ca 0.39 -1.16 -0.07 0.00 0.31 0.00 0.00 61.69 61.17 2rqb s THR 904 Cb -0.11 -1.26 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 2rqb s THR 904 CO 0.30 -0.64 0.13 -0.36 -0.69 0.00 0.00 174.62 173.36 2rqb s PHE 905 N -3.58 3.57 0.37 4.92 0.08 0.84 -2.38 117.98 121.79 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 0.04 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 2rqb s PHE 905 CO -0.09 0.70 0.17 -0.51 -0.10 0.00 0.00 175.22 175.38 2rqb s LEU 906 N -0.94 1.86 -0.24 -0.37 1.43 -0.46 -1.69 118.68 118.28 2rqb s LEU 906 Ca 0.14 -1.66 -0.18 0.00 -1.03 0.00 0.00 54.13 51.40 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 -0.95 0.49 0.00 0.23 0.00 0.00 176.35 176.16 2rqb h LYS 908 N 7.86 -0.67 -0.55 0.00 3.64 -0.79 0.42 116.57 126.48 2rqb h LYS 908 Ca -0.31 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.19 2rqb h LYS 908 Cb 1.15 0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 33.02 2rqb h LYS 908 CO 0.71 -0.45 -0.51 -0.91 -2.27 0.00 0.00 179.45 176.03 2rqb h ASN 909 N -0.70 -1.75 0.00 4.20 4.21 -1.94 -3.40 115.58 116.21 2rqb h ASN 909 Ca -0.01 0.26 0.00 0.00 1.21 0.00 0.00 56.30 57.75 2rqb h ASN 909 Cb 0.68 0.75 0.00 0.00 -1.12 0.00 0.00 38.32 38.63 2rqb h ASN 909 CO -0.21 -0.36 0.00 0.00 -1.29 0.00 0.00 177.43 175.57 2rqb n SER 911 N 0.00 0.00 -4.76 0.00 3.41 0.14 -4.75 113.62 107.66 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 5.13 -0.36 -3.33 -7.23 -1.26 -4.53 120.40 108.81 2rqb s VAL 912 Ca 0.00 0.88 -0.27 0.00 -1.81 0.00 0.00 61.98 60.78 2rqb s VAL 912 Cb 0.00 -3.77 -0.05 0.00 0.56 0.00 0.00 36.38 33.13 2rqb s VAL 912 CO 0.00 0.43 2.15 -0.22 -0.31 0.00 0.00 175.10 177.14 2rqb s LEU 913 N -0.03 3.43 -0.00 1.32 1.98 -1.26 -2.66 118.68 121.45 2rqb s LEU 913 Ca 0.24 1.36 -0.02 0.00 -2.89 0.00 0.00 54.13 52.82 2rqb s LEU 913 Cb -0.16 -3.12 -0.27 0.00 0.66 0.00 0.00 46.19 43.30 2rqb s LEU 913 CO 0.11 -2.22 0.84 0.00 -1.89 0.00 0.00 176.35 173.18 2rqb h ALA 914 N 15.91 0.30 -1.00 5.97 0.00 -1.66 -3.49 119.26 135.28 2rqb h ALA 914 Ca -0.33 -1.13 0.38 0.00 0.00 0.00 0.00 54.91 53.83 2rqb h ALA 914 Cb 1.22 0.30 -0.16 0.00 0.00 0.00 0.00 17.79 19.15 2rqb h ALA 914 CO 1.06 1.16 1.00 0.00 0.00 0.00 0.00 179.25 182.47 2rqb s SER 916 N -2.72 5.61 0.18 0.00 0.15 -1.26 -0.11 113.70 115.55 2rqb s SER 916 Ca 0.14 -0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.37 2rqb s SER 916 Cb 0.05 -1.22 0.10 0.00 -1.71 0.00 0.00 66.02 63.25 2rqb s SER 916 CO -0.06 -0.28 1.77 1.23 1.20 0.00 0.00 173.24 177.10 2rqb h GLY 917 N 1.20 1.00 2.00 9.45 0.00 -1.53 -1.83 103.07 113.36 2rqb h GLY 917 Ca -0.46 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 46.34 2rqb h GLY 917 CO 0.58 0.48 -0.12 1.05 0.00 0.00 0.00 176.54 178.53 2rqb h GLU 918 N 0.89 0.00 -1.02 4.80 4.11 -1.68 -0.67 114.58 121.02 2rqb h GLU 918 Ca 0.22 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 59.27 2rqb h GLU 918 Cb 0.13 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.16 2rqb h GLU 918 CO -0.03 0.12 0.48 -3.47 0.07 0.00 0.00 179.01 176.18 2rqb n ASP 919 N -4.12 3.81 -4.11 3.06 4.64 -0.70 -4.86 116.55 114.27 2rqb n ASP 919 Ca -0.02 -3.17 -0.16 0.00 -1.38 0.00 0.00 54.79 50.06 2rqb n ASP 919 Cb 0.20 -0.76 -0.12 0.00 -1.04 0.00 0.00 41.12 39.39 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 -2.44 0.80 0.47 5.18 -1.09 -0.26 -4.71 121.20 119.15 2rqb s ILE 920 Ca 0.41 -1.13 0.06 0.00 -2.23 0.00 0.00 60.65 57.76 2rqb s ILE 920 Cb 0.34 -0.81 -0.02 0.00 -1.58 0.00 0.00 42.46 40.40 2rqb s ILE 920 CO 0.07 -0.28 0.21 -1.00 -1.23 0.00 0.00 174.94 172.72 2rqb s HIS 921 N -1.25 2.19 0.09 3.97 3.76 -1.20 -4.70 115.29 118.14 2rqb s HIS 921 Ca -0.06 -0.73 0.02 0.00 -0.15 0.00 0.00 55.06 54.15 2rqb s HIS 921 Cb -0.10 -1.88 -0.04 0.00 1.11 0.00 0.00 32.58 31.68 2rqb s HIS 921 CO 0.01 0.00 -0.08 0.08 -0.85 0.00 0.00 174.74 173.91 2rqb s VAL 922 N -2.70 0.72 -0.18 -0.90 1.01 -1.26 -3.82 120.40 113.27 2rqb s VAL 922 Ca 0.32 -1.72 -0.02 0.00 0.00 0.00 0.00 61.98 60.57 2rqb s VAL 922 Cb 0.02 -1.42 0.05 0.00 0.00 0.00 0.00 36.38 35.03 2rqb s VAL 922 CO 0.18 -0.72 0.01 -0.63 0.00 0.00 0.00 175.10 173.95 2rqb s ILE 923 N -2.96 0.70 -1.36 2.22 -1.09 0.16 -0.41 121.20 118.45 2rqb s ILE 923 Ca 0.07 -0.57 0.00 0.00 -2.23 0.00 0.00 60.65 57.92 2rqb s ILE 923 Cb 0.01 -1.10 0.00 0.00 -1.58 0.00 0.00 42.46 39.79 2rqb s ILE 923 CO -0.03 -0.10 0.00 -0.62 -1.23 0.00 0.00 174.94 172.96 2rqb n GLU 924 N 4.99 -1.64 -2.04 2.79 -0.58 -1.26 -0.39 120.64 122.52 2rqb n GLU 924 Ca -0.09 0.76 -0.10 0.00 -0.42 0.00 0.00 57.16 57.31 2rqb n GLU 924 Cb 0.47 -5.16 -0.02 0.00 -0.57 0.00 0.00 31.44 26.16 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 -2.30 -1.98 0.00 3.49 4.01 -1.26 -4.65 118.16 115.47 2rqb n LYS 925 Ca -0.15 0.51 0.00 0.00 -0.51 0.00 0.00 58.31 58.16 2rqb n LYS 925 Cb 0.53 -4.95 0.00 0.00 -0.51 0.00 0.00 35.03 30.10 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 -2.36 0.07 -4.59 1.97 0.00 0.48 -5.03 117.12 107.67 2rqb n MET 926 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.26 2rqb n MET 926 Cb 0.49 -0.90 -0.12 0.00 0.00 0.00 0.00 33.22 32.69 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 -1.80 2.93 -0.44 3.17 3.76 -0.01 -4.99 115.29 117.90 2rqb s HIS 927 Ca 0.00 -0.29 -0.11 0.00 -0.15 0.00 0.00 55.06 54.52 2rqb s HIS 927 Cb 0.00 -1.84 0.09 0.00 1.11 0.00 0.00 32.58 31.94 2rqb s HIS 927 CO 0.00 0.04 0.31 -1.01 -0.85 0.00 0.00 174.74 173.22 2rqb s HIS 928 N -0.04 3.33 0.09 1.40 3.76 -1.26 -0.67 115.29 121.91 2rqb s HIS 928 Ca -0.00 -1.47 0.04 0.00 -0.15 0.00 0.00 55.06 53.48 2rqb s HIS 928 Cb -0.14 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 2rqb s HIS 928 CO 0.03 -0.87 0.03 0.14 -0.85 0.00 0.00 174.74 173.22 2rqb s VAL 929 N 1.46 4.21 -0.41 -0.90 -7.23 -1.25 -3.60 120.40 112.69 2rqb s VAL 929 Ca 0.04 -0.92 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 2rqb s VAL 929 Cb -0.24 -3.02 0.11 0.00 0.56 0.00 0.00 36.38 33.79 2rqb s VAL 929 CO 0.02 0.11 0.14 0.21 -0.31 0.00 0.00 175.10 175.27 2rqb s ASN 930 N -2.36 4.69 -0.11 4.85 2.47 -0.04 -3.22 114.94 121.22 2rqb s ASN 930 Ca 0.27 -2.42 -0.04 0.00 0.42 0.00 0.00 52.86 51.09 2rqb s ASN 930 Cb -0.12 -1.66 -0.12 0.00 -1.45 0.00 0.00 41.25 37.91 2rqb s ASN 930 CO 0.20 -0.35 3.03 0.23 -3.72 0.00 0.00 177.10 176.49 2rqb n MET 931 N 3.92 1.86 -3.80 0.43 2.81 -1.26 -4.06 117.12 117.01 2rqb n MET 931 Ca 0.04 -1.09 -0.36 0.00 -1.81 0.00 0.00 57.70 54.48 2rqb n MET 931 Cb 0.39 -1.80 -0.11 0.00 -0.71 0.00 0.00 33.22 30.99 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 -0.03 4.74 0.01 2.03 2.01 -1.26 -4.99 115.64 118.15 2rqb s THR 932 Ca 0.49 -0.04 -0.20 0.00 0.31 0.00 0.00 61.69 62.26 2rqb s THR 932 Cb 0.26 -3.20 -0.22 0.00 0.01 0.00 0.00 72.50 69.36 2rqb s THR 932 CO -0.04 0.36 1.14 1.55 -0.69 0.00 0.00 174.62 176.94 2rqb h PRO 933 N 7.70 0.42 -0.46 4.92 0.13 -2.00 -3.21 132.00 139.52 2rqb h PRO 933 Ca -0.37 -0.41 0.04 0.00 -0.87 0.00 0.00 66.00 64.38 2rqb h PRO 933 Cb 1.18 0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2rqb h PRO 933 CO 0.62 1.07 0.31 0.93 -0.23 0.00 0.00 178.00 180.69 2rqb h GLU 934 N -0.06 0.46 0.00 0.86 4.39 -1.99 0.13 114.58 118.37 2rqb h GLU 934 Ca -0.06 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2rqb h GLU 934 Cb 1.23 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 2rqb h GLU 934 CO 0.11 0.31 0.00 0.35 -1.16 0.00 0.00 179.01 178.61 2rqb h PHE 935 N 0.48 0.00 0.00 4.33 3.57 -1.85 0.15 116.94 123.62 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 0.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.90 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 -0.27 1.11 2.10 -0.82 0.54 116.57 119.23 2rqb h LYS 936 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2rqb h LYS 936 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 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 -2.55 2.18 -0.00 0.07 1.02 0.04 -4.16 120.64 117.24 2rqb n GLU 937 Ca 0.00 -2.01 0.05 0.00 -0.02 0.00 0.00 57.16 55.18 2rqb n GLU 937 Cb 0.19 -1.42 -0.07 0.00 -0.02 0.00 0.00 31.44 30.12 2rqb n GLU 937 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2rqb n LEU 938 N 1.19 0.07 -4.35 -4.62 4.77 0.06 -5.00 117.00 109.11 2rqb n LEU 938 Ca 0.15 -0.08 -0.28 0.00 -0.03 0.00 0.00 56.01 55.78 2rqb n LEU 938 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2rqb n LEU 938 CO 0.13 0.02 -0.55 -0.72 -1.33 0.00 0.00 177.39 174.93 2rqb s TYR 939 N -2.52 2.15 -0.03 -1.77 -0.85 -0.45 -3.95 117.35 109.94 2rqb s TYR 939 Ca -0.02 -0.39 0.05 0.00 -0.52 0.00 0.00 57.07 56.18 2rqb s TYR 939 Cb 0.06 -1.19 -0.01 0.00 0.38 0.00 0.00 41.96 41.20 2rqb s TYR 939 CO 0.38 0.27 -0.18 0.42 -1.52 0.00 0.00 175.55 174.93 2rqb s ILE 940 N -1.05 1.43 -0.22 -3.49 1.01 0.58 -4.80 121.20 114.66 2rqb s ILE 940 Ca 0.12 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 2rqb s ILE 940 Cb -0.10 -1.21 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 2rqb s ILE 940 CO 0.05 0.41 0.11 -0.69 0.00 0.00 0.00 174.94 174.82 2rqb s VAL 941 N -0.17 4.98 -0.08 2.92 1.01 -1.26 -0.55 120.40 127.24 2rqb s VAL 941 Ca 0.01 0.04 -0.10 0.00 0.00 0.00 0.00 61.98 61.93 2rqb s VAL 941 Cb -0.09 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2rqb s VAL 941 CO 0.01 0.38 0.24 -0.60 0.00 0.00 0.00 175.10 175.14 2rqb s ARG 942 N 0.91 3.67 -0.40 2.72 6.06 -1.09 -4.97 118.95 125.84 2rqb s ARG 942 Ca 0.06 0.07 -0.27 0.00 -2.50 0.00 0.00 55.73 53.08 2rqb s ARG 942 Cb -0.13 -3.22 -0.05 0.00 0.06 0.00 0.00 34.95 31.61 2rqb s ARG 942 CO 0.03 0.71 2.15 -2.00 -2.50 0.00 0.00 175.30 173.68 2rqb s GLU 943 N -0.94 2.71 -0.25 5.12 2.12 -1.26 -4.00 118.70 122.20 2rqb s GLU 943 Ca 0.18 1.45 -0.14 0.00 0.36 0.00 0.00 54.97 56.82 2rqb s GLU 943 Cb -0.14 -4.42 0.08 0.00 0.26 0.00 0.00 34.13 29.91 2rqb s GLU 943 CO 0.07 -2.59 0.61 1.21 -0.54 0.00 0.00 175.26 174.02 2rqb s ASN 944 N 9.24 -0.83 0.00 -1.70 2.47 -1.26 -5.01 114.94 117.85 2rqb s ASN 944 Ca 0.90 1.35 0.23 0.00 0.42 0.00 0.00 52.86 55.76 2rqb s ASN 944 Cb -0.22 1.27 0.17 0.00 -1.45 0.00 0.00 41.25 41.03 2rqb s ASN 944 CO 0.29 -0.23 1.19 2.29 -3.72 0.00 0.00 177.10 176.93 2rqb n LYS 945 N 4.38 0.74 0.09 0.43 2.85 -1.26 -3.98 118.16 121.41 2rqb n LYS 945 Ca -0.20 -0.57 0.08 0.00 -1.05 0.00 0.00 58.31 56.57 2rqb n LYS 945 Cb 0.57 -1.49 0.39 0.00 -0.65 0.00 0.00 35.03 33.85 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 -0.64 1.35 -0.09 0.58 0.00 -1.26 -3.00 120.51 117.45 2rqb n ALA 946 Ca 0.08 0.08 -0.13 0.00 0.00 0.00 0.00 53.44 53.47 2rqb n ALA 946 Cb 0.40 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 -1.95 1.84 -4.80 0.00 7.99 -1.26 -4.98 117.00 113.84 2rqb n LEU 947 Ca 0.01 0.31 -0.35 0.00 -0.01 0.00 0.00 56.01 55.97 2rqb n LEU 947 Cb 0.12 -0.71 -0.07 0.00 -0.11 0.00 0.00 43.42 42.65 2rqb n LEU 947 CO 0.12 -0.08 0.65 0.00 -1.51 0.00 0.00 177.39 176.57 2rqb s GLN 948 N -2.73 4.41 0.32 3.23 1.03 -1.16 -4.95 119.66 119.81 2rqb s GLN 948 Ca -0.29 1.25 0.04 0.00 0.04 0.00 0.00 55.36 56.40 2rqb s GLN 948 Cb 0.06 -2.53 -0.04 0.00 0.03 0.00 0.00 33.01 30.54 2rqb s GLN 948 CO 0.41 0.13 0.16 0.15 -2.54 0.00 0.00 175.29 173.60 2rqb s LYS 949 N -2.55 1.66 0.00 9.60 1.02 -1.26 -4.72 119.74 123.49 2rqb s LYS 949 Ca 0.56 -1.96 0.00 0.00 0.02 0.00 0.00 55.97 54.59 2rqb s LYS 949 Cb -0.15 -0.15 0.00 0.00 -0.52 0.00 0.00 37.83 37.01 2rqb s LYS 949 CO 0.19 -0.47 0.00 1.63 -0.92 0.00 0.00 175.35 175.79 2rqb n LYS 950 N -0.63 0.00 -1.53 1.68 5.02 -1.26 -4.58 118.16 116.85 2rqb n LYS 950 Ca 0.01 0.02 -0.28 0.00 -2.02 0.00 0.00 58.31 56.04 2rqb n LYS 950 Cb 0.65 -0.22 -0.12 0.00 -0.02 0.00 0.00 35.03 35.32 2rqb n LYS 950 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rqb s ALA 952 N 9.15 -2.47 -0.06 0.00 0.00 -1.26 -5.04 121.76 122.09 2rqb s ALA 952 Ca 1.15 0.03 0.09 0.00 0.00 0.00 0.00 51.96 53.23 2rqb s ALA 952 Cb -0.60 0.90 -0.13 0.00 0.00 0.00 0.00 23.12 23.28 2rqb s ALA 952 CO 0.35 -1.15 0.11 -0.25 0.00 0.00 0.00 175.76 174.82 2rqb n ASP 953 N -1.07 2.67 -4.11 0.00 9.92 -1.26 -4.85 116.55 117.84 2rqb n ASP 953 Ca 0.04 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.93 2rqb n ASP 953 Cb 0.59 1.05 -0.11 0.00 -0.64 0.00 0.00 41.12 42.01 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 -2.43 3.50 0.25 1.24 2.02 -1.26 -4.87 117.35 115.80 2rqb s TYR 954 Ca -0.04 -2.52 -0.30 0.00 -0.37 0.00 0.00 57.07 53.84 2rqb s TYR 954 Cb 0.04 -3.23 -0.10 0.00 -0.40 0.00 0.00 41.96 38.28 2rqb s TYR 954 CO 0.40 -0.92 1.37 -1.14 -1.57 0.00 0.00 175.55 173.70 2rqb s GLN 955 N 0.62 4.32 0.25 -0.62 -0.44 -1.20 -4.67 119.66 117.93 2rqb s GLN 955 Ca 0.12 2.21 0.09 0.00 -2.50 0.00 0.00 55.36 55.28 2rqb s GLN 955 Cb -0.22 -3.13 -0.04 0.00 -1.64 0.00 0.00 33.01 27.98 2rqb s GLN 955 CO -0.04 -0.32 0.01 0.42 0.50 0.00 0.00 175.29 175.86 2rqb s ILE 956 N -0.20 3.56 -0.10 -2.34 -1.09 -1.26 0.19 121.20 119.95 2rqb s ILE 956 Ca 0.56 -1.81 0.16 0.00 -2.23 0.00 0.00 60.65 57.34 2rqb s ILE 956 Cb -0.40 -2.89 -0.24 0.00 -1.58 0.00 0.00 42.46 37.36 2rqb s ILE 956 CO 0.44 -0.33 0.21 0.59 -1.23 0.00 0.00 174.94 174.61 2rqb n ASN 957 N -0.80 0.89 0.00 3.58 3.02 -0.67 -4.70 115.26 116.58 2rqb n ASN 957 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2rqb n ASN 957 Cb 0.58 1.31 0.00 0.00 -0.61 0.00 0.00 39.78 41.07 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 -0.50 3.09 7.41 0.00 -1.26 -4.62 105.19 111.06 2rqb n GLY 958 Ca -0.17 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.22 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 2.02 0.07 1.61 2.12 -1.26 -3.34 118.70 118.31 2rqb s GLU 959 Ca 0.00 -0.56 -0.23 0.00 0.36 0.00 0.00 54.97 54.54 2rqb s GLU 959 Cb 0.00 -1.63 -0.06 0.00 0.26 0.00 0.00 34.13 32.69 2rqb s GLU 959 CO 0.00 0.11 0.69 0.96 -0.54 0.00 0.00 175.26 176.48 2rqb s ILE 960 N 0.45 4.68 0.01 -3.70 -4.36 -1.23 -2.66 121.20 114.39 2rqb s ILE 960 Ca -0.13 1.49 0.00 0.00 -0.26 0.00 0.00 60.65 61.75 2rqb s ILE 960 Cb -0.15 -4.04 -0.01 0.00 1.25 0.00 0.00 42.46 39.51 2rqb s ILE 960 CO 0.05 0.45 -0.02 0.27 0.24 0.00 0.00 174.94 175.93 2rqb s ILE 961 N -0.57 0.10 0.57 8.37 -4.36 0.29 0.02 121.20 125.61 2rqb s ILE 961 Ca 0.34 -0.39 -0.10 0.00 -0.26 0.00 0.00 60.65 60.25 2rqb s ILE 961 Cb -0.20 -0.15 0.15 0.00 1.25 0.00 0.00 42.46 43.50 2rqb s ILE 961 CO 0.22 -0.18 0.40 0.00 0.24 0.00 0.00 174.94 175.61 2rqb h LYS 963 N 0.00 -0.16 -0.69 0.00 1.79 -1.92 -1.73 116.57 113.86 2rqb h LYS 963 Ca -0.17 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.42 2rqb h LYS 963 Cb 0.54 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.18 2rqb h LYS 963 CO 0.10 -0.05 0.45 0.00 -1.08 0.00 0.00 179.45 178.87 2rqb n GLY 965 N -1.49 1.25 3.60 0.00 0.00 -0.65 -5.11 105.19 102.80 2rqb n GLY 965 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 4.01 -0.74 1.61 2.00 -1.26 -4.72 119.66 120.47 2rqb s GLN 966 Ca 0.00 -0.04 -0.27 0.00 -2.00 0.00 0.00 55.36 53.04 2rqb s GLN 966 Cb 0.00 -3.65 -0.15 0.00 0.80 0.00 0.00 33.01 30.01 2rqb s GLN 966 CO 0.00 -0.24 2.53 0.00 -0.50 0.00 0.00 175.29 177.08 2rqb n ALA 967 N 5.22 0.57 0.15 1.58 0.00 -1.26 -0.87 120.51 125.90 2rqb n ALA 967 Ca -0.10 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 52.67 2rqb n ALA 967 Cb 0.51 -2.79 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 15.76 0.00 0.00 0.00 6.55 -0.74 -3.43 115.95 134.09 2rqb h TRP 968 Ca -0.14 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.70 2rqb h TRP 968 Cb 1.27 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.57 2rqb h TRP 968 CO 1.04 0.56 0.00 0.41 -1.05 0.00 0.00 178.44 179.40 2rqb n GLY 969 N 0.43 -0.65 3.47 1.49 0.00 -1.13 0.12 105.19 108.92 2rqb n GLY 969 Ca -0.00 0.29 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 0.03 -0.54 2.61 -4.23 0.11 -3.49 115.64 110.12 2rqb s THR 970 Ca 0.00 -0.65 -0.07 0.00 -1.18 0.00 0.00 61.69 59.80 2rqb s THR 970 Cb 0.00 -1.42 0.14 0.00 1.34 0.00 0.00 72.50 72.56 2rqb s THR 970 CO 0.00 -0.15 0.39 -0.32 -0.54 0.00 0.00 174.62 174.01 2rqb s MET 971 N -3.84 2.53 0.48 3.99 1.75 -1.21 0.46 119.30 123.46 2rqb s MET 971 Ca 0.07 -2.07 -0.14 0.00 -1.25 0.00 0.00 55.69 52.29 2rqb s MET 971 Cb -0.00 -3.86 -0.07 0.00 2.84 0.00 0.00 34.83 33.74 2rqb s MET 971 CO -0.06 -1.18 0.92 -1.64 -0.65 0.00 0.00 175.02 172.41 2rqb s MET 972 N 0.78 3.87 0.06 4.11 -1.94 -0.04 -1.66 119.30 124.47 2rqb s MET 972 Ca 0.11 0.78 0.06 0.00 -1.71 0.00 0.00 55.69 54.93 2rqb s MET 972 Cb -0.22 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 2rqb s MET 972 CO -0.03 -0.21 -0.17 0.08 -0.01 0.00 0.00 175.02 174.68 2rqb s VAL 973 N -2.57 1.36 -0.28 -6.03 1.01 0.51 -0.52 120.40 113.88 2rqb s VAL 973 Ca 0.56 -1.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 2rqb s VAL 973 Cb -0.10 -1.24 0.09 0.00 0.00 0.00 0.00 36.38 35.13 2rqb s VAL 973 CO 0.33 -0.03 0.11 -2.28 0.00 0.00 0.00 175.10 173.23 2rqb s HIS 974 N -1.01 0.82 -1.41 5.22 5.04 -1.08 -3.23 115.29 119.64 2rqb s HIS 974 Ca 0.03 -1.10 0.00 0.00 -1.54 0.00 0.00 55.06 52.45 2rqb s HIS 974 Cb -0.09 -1.15 0.00 0.00 0.04 0.00 0.00 32.58 31.38 2rqb s HIS 974 CO 0.02 -0.80 0.00 1.63 -2.34 0.00 0.00 174.74 173.26 2rqb n LYS 975 N 5.11 -1.36 0.00 2.88 5.02 -1.26 -0.50 118.16 128.04 2rqb n LYS 975 Ca -0.05 0.95 0.00 0.00 -2.02 0.00 0.00 58.31 57.19 2rqb n LYS 975 Cb 0.43 -5.21 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 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 -0.48 0.84 3.88 0.72 0.00 -1.26 -4.38 105.19 104.51 2rqb n GLY 976 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 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 2.64 -0.24 0.99 2.96 0.34 -5.06 118.68 120.31 2rqb s LEU 977 Ca 0.00 0.98 -0.00 0.00 -0.22 0.00 0.00 54.13 54.88 2rqb s LEU 977 Cb 0.00 -3.59 0.03 0.00 0.50 0.00 0.00 46.19 43.13 2rqb s LEU 977 CO 0.00 -1.72 -0.09 -1.81 -1.32 0.00 0.00 176.35 171.41 2rqb s ASP 978 N -4.40 4.18 -0.33 3.68 1.01 -1.26 -2.64 116.67 116.90 2rqb s ASP 978 Ca 0.60 -0.97 -0.01 0.00 0.71 0.00 0.00 52.55 52.88 2rqb s ASP 978 Cb -0.11 -1.61 0.11 0.00 1.01 0.00 0.00 42.92 42.32 2rqb s ASP 978 CO 0.51 -0.13 0.14 -1.48 0.21 0.00 0.00 175.17 174.42 2rqb s LEU 979 N 1.27 1.78 -0.31 1.23 2.34 0.33 -4.87 118.68 120.44 2rqb s LEU 979 Ca -0.01 -1.78 -0.29 0.00 0.06 0.00 0.00 54.13 52.10 2rqb s LEU 979 Cb -0.17 -0.72 -0.00 0.00 -0.56 0.00 0.00 46.19 44.74 2rqb s LEU 979 CO -0.06 -0.38 1.36 -2.16 -1.06 0.00 0.00 176.35 174.04 2rqb s PRO 980 N 1.46 3.85 -0.46 1.48 0.04 -1.26 -0.86 135.00 139.24 2rqb s PRO 980 Ca 0.12 1.25 -0.17 0.00 0.04 0.00 0.00 61.00 62.24 2rqb s PRO 980 Cb -0.19 -3.92 0.05 0.00 0.04 0.00 0.00 34.50 30.48 2rqb s PRO 980 CO -0.20 -1.21 0.46 0.00 0.04 0.00 0.00 177.00 176.08 2rqb s LEU 982 N 2.02 2.85 -0.08 0.00 1.02 -1.24 0.06 118.68 123.31 2rqb s LEU 982 Ca 0.09 0.18 -0.00 0.00 0.02 0.00 0.00 54.13 54.42 2rqb s LEU 982 Cb -0.21 -2.63 0.02 0.00 0.02 0.00 0.00 46.19 43.39 2rqb s LEU 982 CO 0.10 -1.89 -0.04 -0.54 0.02 0.00 0.00 176.35 173.99 2rqb s LYS 983 N -5.34 1.04 0.63 1.70 1.02 0.32 -4.84 119.74 114.27 2rqb s LYS 983 Ca 0.65 -0.10 0.42 0.00 0.02 0.00 0.00 55.97 56.96 2rqb s LYS 983 Cb -0.08 -1.18 2.28 0.00 -0.52 0.00 0.00 37.83 38.34 2rqb s LYS 983 CO 0.46 -0.22 2.29 0.82 -0.92 0.00 0.00 175.35 177.78 2rqb h ILE 984 N 6.21 0.00 0.00 2.17 2.04 -1.85 0.34 117.51 126.42 2rqb h ILE 984 Ca -0.28 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.57 2rqb h ILE 984 Cb 1.14 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2rqb h ILE 984 CO 0.37 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.41 2rqb n ARG 985 N -2.98 0.09 0.00 2.37 1.85 -0.56 -2.05 116.66 115.37 2rqb n ARG 985 Ca -0.03 0.29 0.01 0.00 -1.00 0.00 0.00 57.85 57.12 2rqb n ARG 985 Cb 0.07 -1.65 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 -1.82 0.71 -3.90 2.89 3.02 0.11 -4.98 115.26 111.30 2rqb n ASN 986 Ca 0.03 -0.86 -0.22 0.00 -0.03 0.00 0.00 54.58 53.51 2rqb n ASN 986 Cb 0.23 0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.81 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 -0.39 0.35 -4.12 3.10 3.01 -0.81 -0.18 117.46 118.42 2rqb n PHE 987 Ca 0.01 -1.71 -0.09 0.00 1.01 0.00 0.00 57.45 56.67 2rqb n PHE 987 Cb 0.05 -0.26 -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 -2.17 0.44 -0.17 -4.37 1.01 -0.51 -4.46 120.40 110.16 2rqb s VAL 988 Ca 0.06 -1.82 0.01 0.00 0.00 0.00 0.00 61.98 60.23 2rqb s VAL 988 Cb -0.00 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.87 2rqb s VAL 988 CO 0.04 -0.91 -0.16 -0.69 0.00 0.00 0.00 175.10 173.37 2rqb s VAL 989 N -3.65 1.84 -0.19 2.92 1.01 0.18 -1.35 120.40 121.17 2rqb s VAL 989 Ca 0.08 -0.87 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 2rqb s VAL 989 Cb 0.06 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2rqb s VAL 989 CO -0.07 0.44 -0.14 -0.69 0.00 0.00 0.00 175.10 174.64 2rqb s VAL 990 N 1.36 2.61 0.16 2.92 1.01 -1.00 0.20 120.40 127.67 2rqb s VAL 990 Ca 0.04 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.97 2rqb s VAL 990 Cb -0.14 -2.14 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 2rqb s VAL 990 CO -0.11 0.49 0.92 -0.36 0.00 0.00 0.00 175.10 176.04 2rqb s PHE 991 N 1.31 3.89 -0.02 5.22 0.40 -1.10 -2.34 117.98 125.34 2rqb s PHE 991 Ca 0.04 1.81 -0.02 0.00 -0.60 0.00 0.00 56.93 58.16 2rqb s PHE 991 Cb -0.14 -2.98 -0.27 0.00 0.51 0.00 0.00 43.02 40.15 2rqb s PHE 991 CO -0.08 0.35 0.76 -0.22 0.70 0.00 0.00 175.22 176.73 2rqb h LYS 992 N 4.88 0.23 -0.95 0.44 3.64 0.10 -3.36 116.57 121.56 2rqb h LYS 992 Ca -0.44 -0.39 0.14 0.00 -1.27 0.00 0.00 60.65 58.69 2rqb h LYS 992 Cb 1.21 0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 33.02 2rqb h LYS 992 CO 0.70 1.07 -0.41 -0.91 -2.27 0.00 0.00 179.45 177.63 2rqb h ASN 993 N 0.06 -1.49 -4.69 4.20 -0.26 -1.93 -3.41 115.58 108.07 2rqb h ASN 993 Ca -0.27 0.30 -0.26 0.00 -0.56 0.00 0.00 56.30 55.51 2rqb h ASN 993 Cb 2.02 0.76 -0.19 0.00 -1.06 0.00 0.00 38.32 39.85 2rqb h ASN 993 CO 0.14 -0.29 -0.72 0.54 -1.06 0.00 0.00 177.43 176.05 2rqb s ASN 994 N -5.35 1.00 -0.93 5.81 4.22 -1.26 -3.13 114.94 115.31 2rqb s ASN 994 Ca -0.14 -0.74 -0.25 0.00 -2.14 0.00 0.00 52.86 49.60 2rqb s ASN 994 Cb 0.19 0.06 -0.10 0.00 1.28 0.00 0.00 41.25 42.67 2rqb s ASN 994 CO 0.70 -0.31 2.11 -0.55 -2.04 0.00 0.00 177.10 177.02 2rqb s SER 995 N -2.18 4.53 0.04 3.54 0.15 -1.26 -4.53 113.70 113.98 2rqb s SER 995 Ca -0.01 -0.61 -0.08 0.00 0.70 0.00 0.00 55.95 55.95 2rqb s SER 995 Cb -0.04 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2rqb s SER 995 CO -0.02 -3.38 0.15 -0.89 1.20 0.00 0.00 173.24 170.31 2rqb s THR 996 N 12.50 0.12 -0.16 6.45 2.01 -1.26 -5.08 115.64 130.22 2rqb s THR 996 Ca 0.78 -0.95 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 2rqb s THR 996 Cb -0.08 -0.87 0.05 0.00 0.01 0.00 0.00 72.50 71.61 2rqb s THR 996 CO 0.06 -0.53 0.01 -0.75 -0.69 0.00 0.00 174.62 172.72 2rqb s LYS 997 N -2.50 0.84 -0.04 4.92 2.20 -1.26 -2.70 119.74 121.19 2rqb s LYS 997 Ca -0.06 -0.33 0.01 0.00 -0.36 0.00 0.00 55.97 55.24 2rqb s LYS 997 Cb -0.02 -1.82 -0.03 0.00 -1.51 0.00 0.00 37.83 34.45 2rqb s LYS 997 CO -0.04 -0.51 -0.04 0.15 -0.36 0.00 0.00 175.35 174.55 2rqb s LYS 998 N 1.83 2.76 -0.27 4.03 3.01 0.13 -5.01 119.74 126.22 2rqb s LYS 998 Ca 0.01 -0.57 0.00 0.00 -1.01 0.00 0.00 55.97 54.41 2rqb s LYS 998 Cb -0.16 -2.63 0.05 0.00 -1.01 0.00 0.00 37.83 34.08 2rqb s LYS 998 CO -0.07 0.65 -0.06 -1.14 0.51 0.00 0.00 175.35 175.24 2rqb s GLN 999 N -1.10 2.43 0.06 1.68 0.74 -1.26 -0.64 119.66 121.56 2rqb s GLN 999 Ca 0.15 -1.24 0.01 0.00 0.05 0.00 0.00 55.36 54.32 2rqb s GLN 999 Cb -0.11 -3.01 0.01 0.00 1.10 0.00 0.00 33.01 31.00 2rqb s GLN 999 CO 0.05 -0.55 0.07 0.66 -0.55 0.00 0.00 175.29 174.97 2rqb n TYR 1000N 4.55 -2.78 0.00 1.67 4.02 -1.26 -5.01 117.16 118.34 2rqb n TYR 1000Ca -0.14 -0.21 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 2rqb n TYR 1000Cb 0.44 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 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 -1.07 0.00 -4.42 -0.72 2.85 -1.26 -4.19 118.16 109.34 2rqb n LYS 1001Ca 0.01 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.98 2rqb n LYS 1001Cb 0.06 -0.44 -0.12 0.00 -0.65 0.00 0.00 35.03 33.88 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 -1.77 1.71 0.38 -1.58 -0.14 -1.26 -1.50 119.74 115.58 2rqb s LYS 1002Ca 0.00 -1.20 0.07 0.00 -1.36 0.00 0.00 55.97 53.48 2rqb s LYS 1002Cb 0.00 -2.05 0.75 0.00 -1.68 0.00 0.00 37.83 34.85 2rqb s LYS 1002CO 0.00 0.48 1.95 -1.49 -0.76 0.00 0.00 175.35 175.54 2rqb h TRP 1003N 3.97 0.46 -0.44 3.18 4.06 -1.97 -0.28 115.95 124.92 2rqb h TRP 1003Ca -0.50 -0.02 0.08 0.00 2.06 0.00 0.00 58.89 60.51 2rqb h TRP 1003Cb 1.16 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.16 2rqb h TRP 1003CO 0.58 0.41 0.31 -0.24 -3.56 0.00 0.00 178.44 175.94 2rqb h VAL 1004N 0.45 0.89 0.00 1.49 3.04 -1.95 0.41 116.25 120.58 2rqb h VAL 1004Ca 0.11 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.70 2rqb h VAL 1004Cb 0.19 0.64 -0.00 0.00 -2.01 0.00 0.00 31.29 30.11 2rqb h VAL 1004CO -0.00 0.04 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.20 2rqb h GLU 1005N 0.24 0.00 -6.30 4.17 4.39 -1.45 -3.42 114.58 112.21 2rqb h GLU 1005Ca 0.20 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.36 2rqb h GLU 1005Cb 0.50 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2rqb h GLU 1005CO -0.04 0.07 1.26 -1.17 -1.16 0.00 0.00 179.01 177.97 2rqb s LEU 1006N -6.99 4.27 0.07 1.33 2.96 0.14 -4.83 118.68 115.65 2rqb s LEU 1006Ca -0.03 2.51 0.23 0.00 -0.22 0.00 0.00 54.13 56.62 2rqb s LEU 1006Cb 0.13 -3.53 0.92 0.00 0.50 0.00 0.00 46.19 44.21 2rqb s LEU 1006CO 0.54 -1.18 1.71 -0.81 -1.32 0.00 0.00 176.35 175.29 2rqb n PRO 1007N 7.70 0.07 -3.08 0.98 -0.04 -1.26 -4.70 135.00 134.68 2rqb n PRO 1007Ca 0.21 0.19 -0.40 0.00 -0.04 0.00 0.00 63.50 63.46 2rqb n PRO 1007Cb 0.42 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 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 -3.07 5.05 0.34 0.52 1.09 -1.26 -4.84 121.20 119.03 2rqb s ILE 1008Ca 0.10 1.36 -0.28 0.00 -1.10 0.00 0.00 60.65 60.72 2rqb s ILE 1008Cb 0.13 -4.00 -0.10 0.00 -1.06 0.00 0.00 42.46 37.43 2rqb s ILE 1008CO 0.43 0.22 1.27 0.28 -0.10 0.00 0.00 174.94 177.04 2rqb s THR 1009N 1.09 2.83 0.34 2.92 -1.32 -1.25 -4.92 115.64 115.33 2rqb s THR 1009Ca 0.35 0.81 0.09 0.00 -1.21 0.00 0.00 61.69 61.73 2rqb s THR 1009Cb -0.17 -3.50 -0.06 0.00 -1.51 0.00 0.00 72.50 67.26 2rqb s THR 1009CO 0.15 0.17 -0.01 -0.36 -2.21 0.00 0.00 174.62 172.37 2rqb s PHE 1010N -1.19 2.52 0.00 9.09 0.40 -1.26 -4.48 117.98 123.06 2rqb s PHE 1010Ca 0.50 -0.46 0.00 0.00 -0.60 0.00 0.00 56.93 56.38 2rqb s PHE 1010Cb -0.38 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.67 2rqb s PHE 1010CO 0.50 0.49 0.00 -0.35 0.70 0.00 0.00 175.22 176.56 2rqb n PRO 1011N -0.93 0.15 -3.38 0.24 -0.04 -1.26 -5.04 135.00 124.73 2rqb n PRO 1011Ca -0.04 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.29 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 0.85 -0.16 3.54 0.01 -1.26 -4.26 114.94 112.41 2rqb s ASN 1012Ca 0.00 -0.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.92 2rqb s ASN 1012Cb 0.00 0.82 0.00 0.00 0.41 0.00 0.00 41.25 42.48 2rqb s ASN 1012CO 0.00 -0.34 -0.16 -0.22 -1.51 0.00 0.00 177.10 174.87 2rqb s LEU 1013N 2.46 2.41 0.53 0.60 0.20 0.45 -4.89 118.68 120.43 2rqb s LEU 1013Ca 0.10 -0.51 0.06 0.00 0.69 0.00 0.00 54.13 54.47 2rqb s LEU 1013Cb -0.14 -1.55 0.03 0.00 -0.43 0.00 0.00 46.19 44.09 2rqb s LEU 1013CO -0.22 0.06 0.39 -1.81 -0.29 0.00 0.00 176.35 174.48 2rqb s ASP 1014N 0.96 4.65 0.06 3.68 1.11 -1.26 -4.08 116.67 121.79 2rqb s ASP 1014Ca -0.03 -1.19 0.15 0.00 0.18 0.00 0.00 52.55 51.66 2rqb s ASP 1014Cb -0.15 0.29 -0.15 0.00 1.07 0.00 0.00 42.92 43.98 2rqb s ASP 1014CO -0.03 -1.04 0.85 1.88 1.18 0.00 0.00 175.17 178.01 2rqb h TYR 1015N 0.81 0.00 -1.90 4.23 0.05 -1.96 -3.35 116.97 114.85 2rqb h TYR 1015Ca -0.37 0.00 0.55 0.00 0.05 0.00 0.00 58.73 58.96 2rqb h TYR 1015Cb 1.30 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.96 2rqb h TYR 1015CO 0.92 0.68 1.37 0.45 -1.05 0.00 0.00 178.16 180.53 2rqb n SER 1016N -2.97 0.00 -0.09 3.88 2.88 -1.26 0.12 113.62 116.20 2rqb n SER 1016Ca -0.10 0.97 -0.06 0.00 -1.33 0.00 0.00 58.87 58.34 2rqb n SER 1016Cb 0.88 -0.48 -0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2rqb n SER 1016CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 2rqb h GLU 1017N 0.00 -0.10 -4.29 -1.46 4.39 -2.01 -3.36 114.58 107.74 2rqb h GLU 1017Ca 0.91 0.01 -0.61 0.00 0.34 0.00 0.00 59.36 60.00 2rqb h GLU 1017Cb 3.64 0.02 -0.39 0.00 -0.10 0.00 0.00 28.75 31.93 2rqb h GLU 1017CO -0.02 -0.07 -0.77 0.00 -1.16 0.00 0.00 179.01 176.99 2rqb n LEU 1020N -0.50 2.35 -0.60 0.00 4.77 -1.26 -4.41 117.00 117.35 2rqb n LEU 1020Ca 0.43 0.07 0.47 0.00 -0.03 0.00 0.00 56.01 56.95 2rqb n LEU 1020Cb 0.55 -0.72 0.73 0.00 -2.33 0.00 0.00 43.42 41.65 2rqb n LEU 1020CO 0.38 0.69 1.40 0.49 -1.33 0.00 0.00 177.39 179.01 2rqb n PHE 1021N -3.55 0.00 -1.39 -1.77 3.72 -1.26 -4.49 117.46 108.72 2rqb n PHE 1021Ca -0.41 0.00 -0.61 0.00 -0.05 0.00 0.00 57.45 56.38 2rqb n PHE 1021Cb 0.87 -0.44 -0.11 0.00 -0.94 0.00 0.00 39.48 38.86 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 0.89 0.00 4.37 2.88 -1.26 -4.69 113.62 112.08 2rqb n SER 1022Ca 0.39 0.84 0.00 0.00 -1.33 0.00 0.00 58.87 58.77 2rqb n SER 1022Cb 1.87 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 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 6.01 1.52 -4.33 -3.46 4.64 -1.26 -5.08 116.55 114.60 2rqb n ASP 1023Ca 0.45 0.00 -0.29 0.00 -1.38 0.00 0.00 54.79 53.57 2rqb n ASP 1023Cb -0.05 0.00 0.25 0.00 -1.04 0.00 0.00 41.12 40.28 2rqb n ASP 1023CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 2rqb s GLU 1024N -1.90 -1.10 0.00 -0.67 2.02 -1.26 -5.22 118.70 110.57 2rqb s GLU 1024Ca 0.00 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.58 2rqb s GLU 1024Cb 0.00 -1.55 0.00 0.00 0.10 0.00 0.00 34.13 32.68 2rqb s GLU 1024CO 0.00 -3.78 0.19 -0.40 0.02 0.00 0.00 175.26 171.29