#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqb s PRO 892 N 0.00 4.35 0.34 1.61 0.04 -1.26 -5.03 135.00 135.05 2rqb s PRO 892 Ca 0.00 1.70 0.09 0.00 0.04 0.00 0.00 61.00 62.83 2rqb s PRO 892 Cb 0.00 -3.55 -0.05 0.00 0.04 0.00 0.00 34.50 30.95 2rqb s PRO 892 CO 0.00 -0.45 0.09 -0.51 0.04 0.00 0.00 177.00 176.17 2rqb s LEU 893 N 2.17 3.15 0.00 -3.56 1.43 -1.26 -5.06 118.68 115.55 2rqb s LEU 893 Ca 0.57 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2rqb s LEU 893 Cb -0.25 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.38 2rqb s LEU 893 CO 0.23 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.15 2rqb n GLY 894 N -1.07 1.82 2.12 -3.19 0.00 -1.26 -5.16 105.19 98.45 2rqb n GLY 894 Ca -0.04 -1.46 0.01 0.00 0.00 0.00 0.00 46.02 44.53 2rqb n GLY 894 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2rqb n SER 895 N -0.01 -0.69 -0.04 1.61 7.64 -1.26 -5.08 113.62 115.79 2rqb n SER 895 Ca 0.00 -1.19 -0.01 0.00 1.01 0.00 0.00 58.87 58.68 2rqb n SER 895 Cb 0.00 1.08 -0.00 0.00 -1.01 0.00 0.00 64.21 64.28 2rqb n SER 895 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 2rqb h TYR 896 N 1.53 0.00 -2.06 1.43 0.05 -2.05 -3.46 116.97 112.41 2rqb h TYR 896 Ca -0.12 0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.43 2rqb h TYR 896 Cb 0.63 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.30 2rqb h TYR 896 CO 0.00 0.00 -0.23 1.63 -1.05 0.00 0.00 178.16 178.51 2rqb n LYS 897 N -3.96 -1.51 -1.53 4.88 5.02 -1.26 -4.77 118.16 115.02 2rqb n LYS 897 Ca -0.02 0.65 -0.31 0.00 -2.02 0.00 0.00 58.31 56.61 2rqb n LYS 897 Cb 0.07 -4.96 -0.06 0.00 -0.02 0.00 0.00 35.03 30.07 2rqb n LYS 897 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2rqb n ASN 898 N -0.68 7.24 -3.74 4.39 4.13 -1.26 -4.79 115.26 120.55 2rqb n ASN 898 Ca -0.12 -2.93 -0.13 0.00 1.68 0.00 0.00 54.58 53.08 2rqb n ASN 898 Cb 0.43 -1.37 -0.14 0.00 -1.54 0.00 0.00 39.78 37.16 2rqb n ASN 898 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 2rqb s ASN 899 N 1.02 -0.17 0.00 6.41 2.47 -1.26 -4.40 114.94 119.01 2rqb s ASN 899 Ca 0.61 0.39 0.23 0.00 0.42 0.00 0.00 52.86 54.51 2rqb s ASN 899 Cb 0.27 0.27 1.37 0.00 -1.45 0.00 0.00 41.25 41.71 2rqb s ASN 899 CO -0.11 -0.16 1.76 -0.81 -3.72 0.00 0.00 177.10 174.06 2rqb n PRO 900 N 4.22 0.75 0.06 0.43 -0.04 -1.26 -2.42 135.00 136.74 2rqb n PRO 900 Ca -0.26 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.19 2rqb n PRO 900 Cb 0.52 -1.48 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.79 3.54 0.87 -1.95 -1.16 113.55 115.65 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 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2rqb h SER 901 CO 0.00 0.65 -1.31 -0.07 -0.53 0.00 0.00 176.83 175.56 2rqb h LEU 902 N 0.00 0.00-10.13 2.23 3.38 -1.85 -3.46 115.31 105.48 2rqb h LEU 902 Ca -0.11 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.35 2rqb h LEU 902 Cb 1.59 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.33 2rqb h LEU 902 CO 0.06 0.80 -0.28 0.27 0.09 0.00 0.00 178.44 179.38 2rqb s ILE 903 N -2.77 5.16 0.12 1.22 -4.36 -1.20 0.13 121.20 119.50 2rqb s ILE 903 Ca -0.02 -0.40 -0.10 0.00 -0.26 0.00 0.00 60.65 59.87 2rqb s ILE 903 Cb 0.09 -3.78 0.00 0.00 1.25 0.00 0.00 42.46 40.02 2rqb s ILE 903 CO 0.81 -0.31 0.27 -0.89 0.24 0.00 0.00 174.94 175.06 2rqb s THR 904 N -2.02 0.10 -0.11 8.37 2.01 -1.13 -3.50 115.64 119.36 2rqb s THR 904 Ca 0.39 -1.15 -0.08 0.00 0.31 0.00 0.00 61.69 61.16 2rqb s THR 904 Cb -0.10 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2rqb s THR 904 CO 0.31 -0.46 0.17 -0.36 -0.69 0.00 0.00 174.62 173.59 2rqb s PHE 905 N -3.89 3.60 0.31 4.92 0.08 0.11 -2.85 117.98 120.26 2rqb s PHE 905 Ca 0.09 0.57 0.03 0.00 0.12 0.00 0.00 56.93 57.74 2rqb s PHE 905 Cb 0.04 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.45 2rqb s PHE 905 CO -0.07 0.70 0.13 -0.51 -0.10 0.00 0.00 175.22 175.37 2rqb s LEU 906 N -0.95 1.76 -0.36 -0.37 1.43 -0.06 -1.91 118.68 118.23 2rqb s LEU 906 Ca 0.16 -1.52 -0.19 0.00 -1.03 0.00 0.00 54.13 51.54 2rqb s LEU 906 Cb -0.12 0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.16 2rqb s LEU 906 CO 0.05 -0.83 0.58 0.00 0.23 0.00 0.00 176.35 176.37 2rqb h LYS 908 N 8.48 -0.40 -0.36 0.00 3.64 -1.48 0.42 116.57 126.88 2rqb h LYS 908 Ca -0.27 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.19 2rqb h LYS 908 Cb 1.12 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.94 2rqb h LYS 908 CO 0.81 -0.26 -0.49 -0.91 -2.27 0.00 0.00 179.45 176.32 2rqb h ASN 909 N -0.41 -1.62 0.00 4.20 4.21 -1.93 -3.40 115.58 116.62 2rqb h ASN 909 Ca 0.09 0.22 0.00 0.00 1.21 0.00 0.00 56.30 57.82 2rqb h ASN 909 Cb 0.61 0.68 0.00 0.00 -1.12 0.00 0.00 38.32 38.49 2rqb h ASN 909 CO -0.56 -0.40 0.00 0.00 -1.29 0.00 0.00 177.43 175.18 2rqb n SER 911 N 0.00 0.00 -4.79 0.00 7.64 0.13 -4.74 113.62 111.87 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 5.24 -0.34 0.44 -7.23 -1.26 -4.56 120.40 112.69 2rqb s VAL 912 Ca 0.00 0.62 -0.28 0.00 -1.81 0.00 0.00 61.98 60.51 2rqb s VAL 912 Cb 0.00 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.28 2rqb s VAL 912 CO 0.00 0.49 1.95 -0.22 -0.31 0.00 0.00 175.10 177.01 2rqb s LEU 913 N -0.29 3.46 -0.05 1.32 1.98 -1.26 -2.63 118.68 121.22 2rqb s LEU 913 Ca 0.19 1.35 0.01 0.00 -2.89 0.00 0.00 54.13 52.79 2rqb s LEU 913 Cb -0.14 -3.35 -0.26 0.00 0.66 0.00 0.00 46.19 43.10 2rqb s LEU 913 CO 0.07 -1.92 0.66 0.00 -1.89 0.00 0.00 176.35 173.27 2rqb h ALA 914 N 14.10 0.48 -1.34 5.97 0.00 -1.72 -3.49 119.26 133.26 2rqb h ALA 914 Ca -0.34 -1.30 0.30 0.00 0.00 0.00 0.00 54.91 53.57 2rqb h ALA 914 Cb 1.19 0.47 -0.17 0.00 0.00 0.00 0.00 17.79 19.27 2rqb h ALA 914 CO 1.04 1.33 0.87 0.00 0.00 0.00 0.00 179.25 182.49 2rqb s SER 916 N -2.38 4.98 0.12 0.00 1.04 -1.26 0.07 113.70 116.27 2rqb s SER 916 Ca 0.11 -0.44 -0.26 0.00 0.48 0.00 0.00 55.95 55.84 2rqb s SER 916 Cb 0.01 -1.11 -0.05 0.00 0.10 0.00 0.00 66.02 64.97 2rqb s SER 916 CO -0.04 0.01 1.62 1.23 0.98 0.00 0.00 173.24 177.04 2rqb h GLY 917 N 1.91 -0.46 0.63 7.32 0.00 -1.52 0.56 103.07 111.50 2rqb h GLY 917 Ca -0.46 0.35 0.19 0.00 0.00 0.00 0.00 47.33 47.40 2rqb h GLY 917 CO 0.60 -0.22 0.51 1.05 0.00 0.00 0.00 176.54 178.48 2rqb h GLU 918 N -0.44 0.00 -0.97 4.80 4.11 -1.50 0.93 114.58 121.51 2rqb h GLU 918 Ca 0.06 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.18 2rqb h GLU 918 Cb 0.52 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.59 2rqb h GLU 918 CO -0.24 0.00 0.40 -3.47 0.07 0.00 0.00 179.01 175.76 2rqb n ASP 919 N -4.15 3.56 -4.12 3.06 4.64 0.17 -4.86 116.55 114.84 2rqb n ASP 919 Ca 0.13 -3.02 -0.16 0.00 -1.38 0.00 0.00 54.79 50.36 2rqb n ASP 919 Cb 0.76 -0.72 -0.12 0.00 -1.04 0.00 0.00 41.12 40.00 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 -2.18 0.85 0.25 5.18 -1.09 0.32 -4.68 121.20 119.86 2rqb s ILE 920 Ca 0.37 -1.20 0.11 0.00 -2.23 0.00 0.00 60.65 57.70 2rqb s ILE 920 Cb 0.31 -0.86 -0.05 0.00 -1.58 0.00 0.00 42.46 40.28 2rqb s ILE 920 CO 0.08 -0.30 -0.20 -1.00 -1.23 0.00 0.00 174.94 172.29 2rqb s HIS 921 N -1.32 2.19 0.29 3.97 3.76 -1.23 -4.71 115.29 118.24 2rqb s HIS 921 Ca -0.06 -0.37 0.09 0.00 -0.15 0.00 0.00 55.06 54.57 2rqb s HIS 921 Cb -0.10 -0.99 -0.06 0.00 1.11 0.00 0.00 32.58 32.54 2rqb s HIS 921 CO 0.01 0.61 -0.12 0.08 -0.85 0.00 0.00 174.74 174.47 2rqb s VAL 922 N -2.37 2.07 -0.25 -0.90 1.01 -1.26 -3.37 120.40 115.33 2rqb s VAL 922 Ca 0.26 -2.24 0.02 0.00 0.00 0.00 0.00 61.98 60.03 2rqb s VAL 922 Cb -0.05 -2.42 0.06 0.00 0.00 0.00 0.00 36.38 33.97 2rqb s VAL 922 CO 0.12 -0.34 -0.08 -0.63 0.00 0.00 0.00 175.10 174.18 2rqb s ILE 923 N -2.74 1.92 -1.69 2.22 -1.09 -0.66 0.41 121.20 119.56 2rqb s ILE 923 Ca 0.30 -1.51 -0.21 0.00 -2.23 0.00 0.00 60.65 56.99 2rqb s ILE 923 Cb 0.00 -2.11 0.21 0.00 -1.58 0.00 0.00 42.46 38.99 2rqb s ILE 923 CO 0.13 -0.09 0.53 -1.84 -1.23 0.00 0.00 174.94 172.45 2rqb n GLU 924 N 4.52 -0.74 -4.25 2.79 0.28 -1.26 0.11 120.64 122.09 2rqb n GLU 924 Ca -0.12 0.12 -0.33 0.00 -0.16 0.00 0.00 57.16 56.68 2rqb n GLU 924 Cb 0.43 -4.22 -0.08 0.00 1.43 0.00 0.00 31.44 29.01 2rqb n GLU 924 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2rqb n LYS 925 N -3.70 -1.08 0.00 3.44 4.76 -1.26 -4.75 118.16 115.57 2rqb n LYS 925 Ca 0.10 0.12 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2rqb n LYS 925 Cb 0.41 -3.54 0.00 0.00 -1.84 0.00 0.00 35.03 30.06 2rqb n LYS 925 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2rqb n MET 926 N -4.63 0.00 -4.23 1.97 0.00 0.31 -5.11 117.12 105.43 2rqb n MET 926 Ca -0.30 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.24 2rqb n MET 926 Cb 0.68 -0.59 -0.11 0.00 0.00 0.00 0.00 33.22 33.20 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 1.28 -0.32 3.17 3.76 -1.08 -5.00 115.29 115.75 2rqb s HIS 927 Ca 0.00 -0.63 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 2rqb s HIS 927 Cb 0.00 -0.67 0.07 0.00 1.11 0.00 0.00 32.58 33.09 2rqb s HIS 927 CO 0.00 0.10 0.04 -3.38 -0.85 0.00 0.00 174.74 170.64 2rqb s HIS 928 N -2.54 3.37 -0.11 1.40 -3.43 -1.26 -1.66 115.29 111.07 2rqb s HIS 928 Ca 0.10 -2.11 0.01 0.00 -0.80 0.00 0.00 55.06 52.27 2rqb s HIS 928 Cb -0.02 -2.39 -0.02 0.00 -1.43 0.00 0.00 32.58 28.72 2rqb s HIS 928 CO 0.02 -0.85 -0.14 0.14 -2.00 0.00 0.00 174.74 171.90 2rqb s VAL 929 N 1.19 3.01 -0.67 -5.38 -7.23 -1.22 -4.20 120.40 105.91 2rqb s VAL 929 Ca -0.01 -0.70 -0.16 0.00 -1.81 0.00 0.00 61.98 59.30 2rqb s VAL 929 Cb -0.20 -2.23 0.16 0.00 0.56 0.00 0.00 36.38 34.66 2rqb s VAL 929 CO -0.03 0.54 0.67 0.21 -0.31 0.00 0.00 175.10 176.19 2rqb s ASN 930 N 0.04 6.42 -0.13 4.85 3.84 0.24 -3.52 114.94 126.68 2rqb s ASN 930 Ca -0.05 -2.06 -0.04 0.00 0.21 0.00 0.00 52.86 50.92 2rqb s ASN 930 Cb -0.14 -2.24 -0.11 0.00 -0.55 0.00 0.00 41.25 38.20 2rqb s ASN 930 CO 0.04 -0.82 3.05 0.23 -2.79 0.00 0.00 177.10 176.82 2rqb n MET 931 N 5.07 1.91 -3.90 0.43 2.81 -1.26 -4.06 117.12 118.12 2rqb n MET 931 Ca -0.01 -1.18 -0.36 0.00 -1.81 0.00 0.00 57.70 54.34 2rqb n MET 931 Cb 0.43 -1.84 -0.13 0.00 -0.71 0.00 0.00 33.22 30.98 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 -0.15 4.04 0.03 2.03 2.01 -1.26 -4.99 115.64 117.36 2rqb s THR 932 Ca 0.52 -0.27 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 2rqb s THR 932 Cb 0.28 -2.86 -0.21 0.00 0.01 0.00 0.00 72.50 69.72 2rqb s THR 932 CO -0.05 0.39 1.17 1.55 -0.69 0.00 0.00 174.62 176.98 2rqb h PRO 933 N 7.90 0.52 -0.60 4.92 0.13 -1.92 -3.18 132.00 139.77 2rqb h PRO 933 Ca -0.38 -0.51 0.12 0.00 -0.87 0.00 0.00 66.00 64.36 2rqb h PRO 933 Cb 1.17 0.13 -0.04 0.00 0.13 0.00 0.00 31.00 32.40 2rqb h PRO 933 CO 0.60 1.14 0.41 1.05 -0.23 0.00 0.00 178.00 180.97 2rqb h GLU 934 N 0.09 0.31 -0.02 0.86 4.11 -1.99 0.27 114.58 118.21 2rqb h GLU 934 Ca -0.07 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.34 2rqb h GLU 934 Cb 1.34 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 2rqb h GLU 934 CO 0.13 0.20 0.04 0.35 0.07 0.00 0.00 179.01 179.80 2rqb h PHE 935 N 0.32 0.00 0.00 2.06 3.57 -1.85 0.19 116.94 121.23 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 0.68 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.42 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 -0.25 1.11 2.10 -0.58 0.24 116.57 119.18 2rqb h LYS 936 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 2rqb h LYS 936 Cb 0.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.41 2rqb h LYS 936 CO -0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 2rqb n GLU 937 N -2.43 2.04 -0.02 0.07 -0.58 0.65 -4.24 120.64 116.13 2rqb n GLU 937 Ca -0.00 -1.91 0.02 0.00 -0.42 0.00 0.00 57.16 54.84 2rqb n GLU 937 Cb 0.13 -1.38 -0.07 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 1.06 0.00 -4.40 -4.62 4.77 0.65 -5.01 117.00 109.44 2rqb n LEU 938 Ca 0.14 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.84 2rqb n LEU 938 Cb 0.48 0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 2rqb n LEU 938 CO 0.12 0.06 -0.55 -0.72 -1.33 0.00 0.00 177.39 174.97 2rqb s TYR 939 N -2.52 2.29 -0.03 -1.77 -0.85 -0.10 -4.14 117.35 110.24 2rqb s TYR 939 Ca -0.04 -0.37 0.05 0.00 -0.52 0.00 0.00 57.07 56.19 2rqb s TYR 939 Cb 0.05 -1.20 -0.01 0.00 0.38 0.00 0.00 41.96 41.19 2rqb s TYR 939 CO 0.37 0.40 -0.17 0.42 -1.52 0.00 0.00 175.55 175.06 2rqb s ILE 940 N -1.32 1.37 -0.10 -3.49 1.01 0.42 -4.77 121.20 114.33 2rqb s ILE 940 Ca 0.17 -0.71 -0.13 0.00 0.00 0.00 0.00 60.65 59.97 2rqb s ILE 940 Cb -0.09 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.17 2rqb s ILE 940 CO 0.07 0.39 0.32 -0.69 0.00 0.00 0.00 174.94 175.04 2rqb s VAL 941 N -0.16 5.24 -0.21 2.92 1.01 -1.26 -0.80 120.40 127.15 2rqb s VAL 941 Ca 0.01 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 2rqb s VAL 941 Cb -0.09 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2rqb s VAL 941 CO 0.01 0.48 -0.07 -0.13 0.00 0.00 0.00 175.10 175.39 2rqb s ARG 942 N -0.22 3.34 -0.64 2.72 3.00 -1.12 -5.01 118.95 121.02 2rqb s ARG 942 Ca 0.19 -0.65 -0.34 0.00 0.00 0.00 0.00 55.73 54.93 2rqb s ARG 942 Cb -0.14 -2.93 -0.16 0.00 0.00 0.00 0.00 34.95 31.72 2rqb s ARG 942 CO 0.07 -0.16 2.40 -1.91 0.00 0.00 0.00 175.30 175.71 2rqb n GLU 943 N 4.64 0.47 -3.48 3.54 2.13 -1.26 -4.13 120.64 122.54 2rqb n GLU 943 Ca -0.18 0.08 -0.04 0.00 0.66 0.00 0.00 57.16 57.67 2rqb n GLU 943 Cb 0.51 -2.09 -0.06 0.00 0.27 0.00 0.00 31.44 30.07 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 8.50 -0.63 0.00 4.31 2.47 -1.26 -5.00 114.94 123.33 2rqb s ASN 944 Ca 1.19 0.97 0.27 0.00 0.42 0.00 0.00 52.86 55.71 2rqb s ASN 944 Cb -1.01 1.73 0.88 0.00 -1.45 0.00 0.00 41.25 41.40 2rqb s ASN 944 CO 0.48 -0.25 1.66 2.29 -3.72 0.00 0.00 177.10 177.56 2rqb n LYS 945 N 5.41 0.33 0.15 0.43 2.85 -1.26 -3.52 118.16 122.54 2rqb n LYS 945 Ca -0.07 -0.15 0.11 0.00 -1.05 0.00 0.00 58.31 57.15 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 -1.21 1.22 -0.06 0.58 0.00 -1.26 -3.06 120.51 116.72 2rqb n ALA 946 Ca 0.09 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.60 2rqb n ALA 946 Cb 0.32 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 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 -2.21 1.73 -4.79 0.00 7.99 -1.23 -5.00 117.00 113.49 2rqb n LEU 947 Ca -0.00 0.28 -0.36 0.00 -0.01 0.00 0.00 56.01 55.92 2rqb n LEU 947 Cb 0.09 -0.65 -0.05 0.00 -0.11 0.00 0.00 43.42 42.70 2rqb n LEU 947 CO 0.12 -0.28 0.71 0.00 -1.51 0.00 0.00 177.39 176.42 2rqb s GLN 948 N -2.67 4.24 0.12 3.23 1.03 -1.17 -4.98 119.66 119.46 2rqb s GLN 948 Ca -0.23 1.42 0.02 0.00 0.04 0.00 0.00 55.36 56.60 2rqb s GLN 948 Cb 0.04 -2.52 -0.01 0.00 0.03 0.00 0.00 33.01 30.55 2rqb s GLN 948 CO 0.34 -0.06 0.08 1.63 -2.54 0.00 0.00 175.29 174.74 2rqb n LYS 949 N -0.06 0.35 0.00 9.60 4.76 -1.26 -4.67 118.16 126.88 2rqb n LYS 949 Ca 0.05 -1.11 0.00 0.00 -2.87 0.00 0.00 58.31 54.37 2rqb n LYS 949 Cb 0.50 0.81 0.00 0.00 -1.84 0.00 0.00 35.03 34.51 2rqb n LYS 949 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2rqb n LYS 950 N -0.24 0.00 -1.47 1.97 4.01 -1.26 -4.54 118.16 116.63 2rqb n LYS 950 Ca 0.01 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.38 2rqb n LYS 950 Cb 0.20 0.00 -0.11 0.00 -0.51 0.00 0.00 35.03 34.61 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 11.25 0.00 -0.03 0.00 0.00 -1.26 -5.03 120.51 125.44 2rqb n ALA 952 Ca 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.97 2rqb n ALA 952 Cb 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.54 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 0.51 2.70 -4.11 0.00 10.43 -1.26 -4.86 116.55 119.96 2rqb n ASP 953 Ca 0.00 0.00 -0.36 0.00 2.57 0.00 0.00 54.79 57.00 2rqb n ASP 953 Cb 0.00 0.96 -0.11 0.00 1.84 0.00 0.00 41.12 43.81 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 -2.37 3.52 0.29 1.24 1.51 -1.26 -4.85 117.35 115.42 2rqb s TYR 954 Ca -0.04 -2.52 -0.29 0.00 -1.01 0.00 0.00 57.07 53.20 2rqb s TYR 954 Cb 0.04 -3.22 -0.10 0.00 -0.11 0.00 0.00 41.96 38.57 2rqb s TYR 954 CO 0.39 -0.93 1.34 -1.14 -1.11 0.00 0.00 175.55 174.11 2rqb s GLN 955 N 0.71 4.34 0.23 -0.62 2.00 -1.22 -4.67 119.66 120.43 2rqb s GLN 955 Ca 0.11 2.21 0.10 0.00 -2.00 0.00 0.00 55.36 55.78 2rqb s GLN 955 Cb -0.22 -3.10 -0.04 0.00 0.80 0.00 0.00 33.01 30.44 2rqb s GLN 955 CO -0.04 -0.26 -0.06 0.42 -0.50 0.00 0.00 175.29 174.85 2rqb s ILE 956 N -0.60 3.25 -0.11 -2.34 -1.09 -1.26 0.19 121.20 119.23 2rqb s ILE 956 Ca 0.53 -1.86 0.18 0.00 -2.23 0.00 0.00 60.65 57.27 2rqb s ILE 956 Cb -0.40 -2.69 -0.26 0.00 -1.58 0.00 0.00 42.46 37.54 2rqb s ILE 956 CO 0.48 -0.27 0.22 0.59 -1.23 0.00 0.00 174.94 174.72 2rqb n ASN 957 N -0.50 0.55 0.00 3.58 5.03 -0.69 -4.69 115.26 118.54 2rqb n ASN 957 Ca -0.08 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.37 2rqb n ASN 957 Cb 0.58 1.34 0.00 0.00 -1.02 0.00 0.00 39.78 40.68 2rqb n ASN 957 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2rqb n GLY 958 N 1.68 -0.52 3.07 7.41 0.00 -1.26 -4.69 105.19 110.88 2rqb n GLY 958 Ca -0.19 -0.45 -0.27 0.00 0.00 0.00 0.00 46.02 45.12 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 -1.90 2.10 0.04 1.61 2.12 -1.26 -3.09 118.70 118.33 2rqb s GLU 959 Ca 0.00 -0.54 -0.25 0.00 0.36 0.00 0.00 54.97 54.54 2rqb s GLU 959 Cb 0.00 -1.71 -0.05 0.00 0.26 0.00 0.00 34.13 32.63 2rqb s GLU 959 CO 0.00 0.03 0.77 0.96 -0.54 0.00 0.00 175.26 176.48 2rqb s ILE 960 N 0.69 4.73 0.02 -3.70 -4.36 -1.22 -2.79 121.20 114.57 2rqb s ILE 960 Ca -0.13 1.63 0.02 0.00 -0.26 0.00 0.00 60.65 61.90 2rqb s ILE 960 Cb -0.16 -4.12 -0.01 0.00 1.25 0.00 0.00 42.46 39.42 2rqb s ILE 960 CO 0.03 0.36 -0.06 0.27 0.24 0.00 0.00 174.94 175.79 2rqb s ILE 961 N -0.05 0.42 0.77 8.37 -4.36 0.02 -0.06 121.20 126.31 2rqb s ILE 961 Ca 0.39 -0.66 -0.13 0.00 -0.26 0.00 0.00 60.65 59.99 2rqb s ILE 961 Cb -0.20 -0.44 0.20 0.00 1.25 0.00 0.00 42.46 43.26 2rqb s ILE 961 CO 0.23 -0.17 0.52 0.00 0.24 0.00 0.00 174.94 175.76 2rqb h LYS 963 N 0.00 -0.17 -0.83 0.00 1.79 -1.91 -1.79 116.57 113.66 2rqb h LYS 963 Ca -0.22 0.01 0.13 0.00 -2.18 0.00 0.00 60.65 58.39 2rqb h LYS 963 Cb 0.72 0.04 -0.06 0.00 -1.58 0.00 0.00 32.23 31.35 2rqb h LYS 963 CO 0.14 -0.07 0.54 0.00 -1.08 0.00 0.00 179.45 178.98 2rqb n GLY 965 N -1.45 1.26 3.63 0.00 0.00 -0.67 -5.11 105.19 102.84 2rqb n GLY 965 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.07 4.03 -0.62 1.61 2.00 -1.26 -4.74 119.66 120.60 2rqb s GLN 966 Ca 0.00 -0.15 -0.29 0.00 -2.00 0.00 0.00 55.36 52.92 2rqb s GLN 966 Cb 0.00 -3.61 -0.12 0.00 0.80 0.00 0.00 33.01 30.08 2rqb s GLN 966 CO 0.00 -0.11 2.47 0.00 -0.50 0.00 0.00 175.29 177.15 2rqb n ALA 967 N 4.80 0.69 0.07 1.58 0.00 -1.26 -0.71 120.51 125.69 2rqb n ALA 967 Ca -0.12 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.60 2rqb n ALA 967 Cb 0.52 -2.82 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 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 16.19 0.49 0.00 0.00 6.55 -0.80 -3.42 115.95 134.96 2rqb h TRP 968 Ca -0.19 -0.27 0.00 0.00 0.95 0.00 0.00 58.89 59.38 2rqb h TRP 968 Cb 1.29 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 29.53 2rqb h TRP 968 CO 1.00 1.09 0.00 0.41 -1.05 0.00 0.00 178.44 179.89 2rqb n GLY 969 N 0.93 -0.38 3.27 1.49 0.00 -1.11 0.65 105.19 110.04 2rqb n GLY 969 Ca -0.06 0.31 -0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.77 2.61 -4.23 -0.02 -3.40 115.64 109.90 2rqb s THR 970 Ca 0.00 -0.58 -0.15 0.00 -1.18 0.00 0.00 61.69 59.77 2rqb s THR 970 Cb 0.00 -0.89 0.18 0.00 1.34 0.00 0.00 72.50 73.14 2rqb s THR 970 CO 0.00 -0.32 0.77 -0.32 -0.54 0.00 0.00 174.62 174.20 2rqb s MET 971 N -2.30 3.45 0.36 3.99 1.75 -1.18 -0.12 119.30 125.25 2rqb s MET 971 Ca -0.07 -2.13 -0.20 0.00 -1.25 0.00 0.00 55.69 52.03 2rqb s MET 971 Cb -0.02 -4.46 -0.10 0.00 2.84 0.00 0.00 34.83 33.10 2rqb s MET 971 CO -0.02 -1.39 0.88 -1.64 -0.65 0.00 0.00 175.02 172.21 2rqb s MET 972 N 0.98 4.25 0.13 4.11 -1.94 -0.58 -1.70 119.30 124.55 2rqb s MET 972 Ca 0.17 1.03 0.11 0.00 -1.71 0.00 0.00 55.69 55.29 2rqb s MET 972 Cb -0.14 -2.43 -0.04 0.00 2.01 0.00 0.00 34.83 34.23 2rqb s MET 972 CO -0.06 0.11 -0.26 0.08 -0.01 0.00 0.00 175.02 174.89 2rqb s VAL 973 N -1.96 2.23 -0.32 -6.03 1.01 0.50 -0.49 120.40 115.34 2rqb s VAL 973 Ca 0.56 -1.77 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 2rqb s VAL 973 Cb -0.12 -1.98 0.11 0.00 0.00 0.00 0.00 36.38 34.39 2rqb s VAL 973 CO 0.17 0.06 0.14 -2.28 0.00 0.00 0.00 175.10 173.19 2rqb s HIS 974 N -1.12 0.94 -2.00 5.22 5.04 -0.94 -3.45 115.29 118.98 2rqb s HIS 974 Ca 0.14 -1.38 0.00 0.00 -1.54 0.00 0.00 55.06 52.28 2rqb s HIS 974 Cb -0.10 -1.23 0.00 0.00 0.04 0.00 0.00 32.58 31.29 2rqb s HIS 974 CO 0.06 -0.84 0.00 1.63 -2.34 0.00 0.00 174.74 173.25 2rqb n LYS 975 N 4.81 -1.47 0.00 2.88 5.02 -1.26 -0.29 118.16 127.84 2rqb n LYS 975 Ca -0.01 1.13 0.00 0.00 -2.02 0.00 0.00 58.31 57.41 2rqb n LYS 975 Cb 0.41 -5.58 0.00 0.00 -0.02 0.00 0.00 35.03 29.84 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 -0.67 0.59 3.88 0.72 0.00 -1.26 -5.09 105.19 103.35 2rqb n GLY 976 Ca -0.21 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 2.68 -0.22 0.99 2.96 0.60 -5.06 118.68 120.63 2rqb s LEU 977 Ca 0.00 1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 54.91 2rqb s LEU 977 Cb 0.00 -3.66 0.01 0.00 0.50 0.00 0.00 46.19 43.04 2rqb s LEU 977 CO 0.00 -1.66 -0.09 -1.81 -1.32 0.00 0.00 176.35 171.47 2rqb s ASP 978 N -4.38 4.02 -0.31 3.68 1.01 -1.26 -2.21 116.67 117.22 2rqb s ASP 978 Ca 0.60 -0.63 -0.03 0.00 0.71 0.00 0.00 52.55 53.20 2rqb s ASP 978 Cb -0.12 -1.65 0.11 0.00 1.01 0.00 0.00 42.92 42.28 2rqb s ASP 978 CO 0.51 -0.06 0.15 -0.76 0.21 0.00 0.00 175.17 175.23 2rqb s LEU 979 N 1.38 0.78 -0.09 1.23 1.02 0.35 -4.90 118.68 118.46 2rqb s LEU 979 Ca 0.04 -1.60 -0.30 0.00 0.02 0.00 0.00 54.13 52.29 2rqb s LEU 979 Cb -0.15 -0.40 -0.03 0.00 0.02 0.00 0.00 46.19 45.64 2rqb s LEU 979 CO -0.06 -0.40 1.23 -2.16 0.02 0.00 0.00 176.35 174.99 2rqb s PRO 980 N 1.73 4.31 -0.45 1.29 0.04 -1.26 -1.53 135.00 139.14 2rqb s PRO 980 Ca 0.12 1.69 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 2rqb s PRO 980 Cb -0.18 -3.62 0.08 0.00 0.04 0.00 0.00 34.50 30.81 2rqb s PRO 980 CO -0.24 -0.54 0.33 0.00 0.04 0.00 0.00 177.00 176.59 2rqb s LEU 982 N 1.53 2.78 -0.14 0.00 2.01 -1.26 -0.84 118.68 122.76 2rqb s LEU 982 Ca 0.03 1.14 -0.01 0.00 0.01 0.00 0.00 54.13 55.31 2rqb s LEU 982 Cb -0.24 -3.86 0.04 0.00 0.01 0.00 0.00 46.19 42.14 2rqb s LEU 982 CO 0.04 -1.56 -0.04 -0.54 1.01 0.00 0.00 176.35 175.26 2rqb s LYS 983 N -5.33 1.24 0.63 1.70 1.02 0.21 -4.86 119.74 114.35 2rqb s LYS 983 Ca 0.59 -0.35 0.39 0.00 0.02 0.00 0.00 55.97 56.62 2rqb s LYS 983 Cb -0.12 -1.77 2.14 0.00 -0.52 0.00 0.00 37.83 37.56 2rqb s LYS 983 CO 0.52 -0.40 2.20 0.82 -0.92 0.00 0.00 175.35 177.58 2rqb h ILE 984 N 6.34 0.00 0.00 2.17 2.04 -1.85 0.48 117.51 126.70 2rqb h ILE 984 Ca -0.24 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2rqb h ILE 984 Cb 1.12 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 38.07 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 -2.95 0.29 0.00 2.37 1.85 0.27 -2.04 116.66 116.44 2rqb n ARG 985 Ca -0.03 0.10 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 2rqb n ARG 985 Cb 0.13 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 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 -1.27 0.75 -3.36 2.89 3.02 0.16 -5.01 115.26 112.45 2rqb n ASN 986 Ca 0.09 -1.17 -0.18 0.00 -0.03 0.00 0.00 54.58 53.29 2rqb n ASN 986 Cb 0.15 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.09 0.48 -4.03 3.10 3.01 -0.87 -1.52 117.46 117.55 2rqb n PHE 987 Ca 0.00 -1.54 -0.08 0.00 1.01 0.00 0.00 57.45 56.84 2rqb n PHE 987 Cb 0.18 -0.13 -0.11 0.00 -0.01 0.00 0.00 39.48 39.42 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 -2.24 0.16 -0.20 -4.37 1.01 -0.31 -4.40 120.40 110.05 2rqb s VAL 988 Ca 0.05 -1.33 0.02 0.00 0.00 0.00 0.00 61.98 60.72 2rqb s VAL 988 Cb 0.00 -0.84 0.03 0.00 0.00 0.00 0.00 36.38 35.57 2rqb s VAL 988 CO 0.03 -0.73 -0.16 -0.69 0.00 0.00 0.00 175.10 173.55 2rqb s VAL 989 N -2.60 2.02 -0.19 2.92 1.01 0.08 -0.88 120.40 122.76 2rqb s VAL 989 Ca -0.05 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 2rqb s VAL 989 Cb -0.02 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.42 2rqb s VAL 989 CO -0.05 0.33 -0.11 -0.69 0.00 0.00 0.00 175.10 174.58 2rqb s VAL 990 N 1.26 2.88 0.20 2.92 1.01 -1.13 0.46 120.40 127.99 2rqb s VAL 990 Ca 0.00 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2rqb s VAL 990 Cb -0.15 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.88 2rqb s VAL 990 CO -0.10 0.48 1.01 -0.36 0.00 0.00 0.00 175.10 176.12 2rqb s PHE 991 N 1.25 3.79 -0.01 5.22 0.40 -0.87 -2.86 117.98 124.91 2rqb s PHE 991 Ca 0.03 1.78 0.01 0.00 -0.60 0.00 0.00 56.93 58.15 2rqb s PHE 991 Cb -0.14 -3.11 -0.26 0.00 0.51 0.00 0.00 43.02 40.02 2rqb s PHE 991 CO -0.05 -0.00 0.81 -0.22 0.70 0.00 0.00 175.22 176.46 2rqb h LYS 992 N 4.67 0.18 -0.95 0.44 3.64 0.67 -3.36 116.57 121.87 2rqb h LYS 992 Ca -0.45 -0.30 0.15 0.00 -1.27 0.00 0.00 60.65 58.79 2rqb h LYS 992 Cb 1.21 0.11 -0.16 0.00 -0.41 0.00 0.00 32.23 32.98 2rqb h LYS 992 CO 0.70 0.99 -0.36 -0.91 -2.27 0.00 0.00 179.45 177.59 2rqb h ASN 993 N 0.05 -1.33 -5.17 4.20 -0.26 -1.93 -3.42 115.58 107.73 2rqb h ASN 993 Ca -0.25 0.30 -0.11 0.00 -0.56 0.00 0.00 56.30 55.68 2rqb h ASN 993 Cb 1.99 0.71 -0.15 0.00 -1.06 0.00 0.00 38.32 39.81 2rqb h ASN 993 CO 0.13 -0.29 -0.52 0.21 -1.06 0.00 0.00 177.43 175.90 2rqb s ASN 994 N -5.32 0.27 -0.75 5.81 2.47 -1.26 -5.07 114.94 111.09 2rqb s ASN 994 Ca -0.14 -0.74 -0.26 0.00 0.42 0.00 0.00 52.86 52.14 2rqb s ASN 994 Cb 0.21 0.26 -0.11 0.00 -1.45 0.00 0.00 41.25 40.16 2rqb s ASN 994 CO 0.72 -0.62 2.32 -0.94 -3.72 0.00 0.00 177.10 174.86 2rqb s SER 995 N -2.68 4.23 -0.08 -4.21 1.04 -1.26 -4.52 113.70 106.22 2rqb s SER 995 Ca 0.03 0.13 -0.10 0.00 0.48 0.00 0.00 55.95 56.49 2rqb s SER 995 Cb 0.04 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.64 2rqb s SER 995 CO -0.09 -3.48 0.27 -0.89 0.98 0.00 0.00 173.24 170.03 2rqb s THR 996 N 13.40 0.02 -0.25 2.02 2.01 -1.26 -5.07 115.64 126.52 2rqb s THR 996 Ca 0.89 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.73 2rqb s THR 996 Cb -0.13 -0.44 0.06 0.00 0.01 0.00 0.00 72.50 72.01 2rqb s THR 996 CO 0.10 -0.09 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.15 2rqb s LYS 997 N -0.30 1.60 -0.18 4.92 2.20 -1.26 -2.05 119.74 124.68 2rqb s LYS 997 Ca -0.04 -1.07 -0.07 0.00 -0.36 0.00 0.00 55.97 54.43 2rqb s LYS 997 Cb -0.03 -2.62 -0.04 0.00 -1.51 0.00 0.00 37.83 33.63 2rqb s LYS 997 CO 0.01 -0.64 0.04 0.15 -0.36 0.00 0.00 175.35 174.56 2rqb s LYS 998 N 1.36 3.91 -0.33 4.03 3.01 0.17 -5.00 119.74 126.89 2rqb s LYS 998 Ca -0.04 -0.38 -0.05 0.00 -1.01 0.00 0.00 55.97 54.48 2rqb s LYS 998 Cb -0.19 -3.15 0.04 0.00 -1.01 0.00 0.00 37.83 33.52 2rqb s LYS 998 CO -0.07 0.26 0.08 -1.14 0.51 0.00 0.00 175.35 174.98 2rqb s GLN 999 N 0.39 2.56 0.13 1.68 0.74 -1.26 -0.74 119.66 123.16 2rqb s GLN 999 Ca 0.02 -1.21 0.02 0.00 0.05 0.00 0.00 55.36 54.23 2rqb s GLN 999 Cb -0.13 -3.39 0.02 0.00 1.10 0.00 0.00 33.01 30.61 2rqb s GLN 999 CO 0.01 -0.66 0.15 0.66 -0.55 0.00 0.00 175.29 174.90 2rqb n TYR 1000N 4.76 -2.45 0.00 1.67 4.01 -1.26 -5.03 117.16 118.86 2rqb n TYR 1000Ca -0.12 -0.48 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 2rqb n TYR 1000Cb 0.44 -0.12 0.00 0.00 -0.31 0.00 0.00 39.34 39.36 2rqb n TYR 1000CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 2rqb n LYS 1001N -1.15 0.00 -4.43 -0.72 2.85 -1.26 -4.23 118.16 109.21 2rqb n LYS 1001Ca 0.03 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.02 2rqb n LYS 1001Cb 0.13 -0.60 -0.11 0.00 -0.65 0.00 0.00 35.03 33.80 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 -1.83 1.56 0.39 -1.58 1.02 -1.26 -0.57 119.74 117.47 2rqb s LYS 1002Ca 0.00 -1.58 0.28 0.00 0.02 0.00 0.00 55.97 54.69 2rqb s LYS 1002Cb 0.00 -1.83 1.09 0.00 -0.52 0.00 0.00 37.83 36.58 2rqb s LYS 1002CO 0.00 0.38 1.83 -1.49 -0.92 0.00 0.00 175.35 175.15 2rqb h TRP 1003N 2.97 0.00 0.00 3.18 4.06 -1.96 -2.03 115.95 122.17 2rqb h TRP 1003Ca -0.45 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.45 2rqb h TRP 1003Cb 1.22 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.37 2rqb h TRP 1003CO 0.72 0.00 -0.23 -0.24 -3.56 0.00 0.00 178.44 175.13 2rqb h VAL 1004N 0.00 0.79 -0.11 1.49 3.04 -2.01 -2.18 116.25 117.27 2rqb h VAL 1004Ca 0.00 -0.94 -0.15 0.00 -1.01 0.00 0.00 66.70 64.61 2rqb h VAL 1004Cb 0.49 1.57 -0.01 0.00 -2.01 0.00 0.00 31.29 31.33 2rqb h VAL 1004CO 0.00 0.23 -0.56 -0.33 -1.01 0.00 0.00 177.57 175.90 2rqb h GLU 1005N 0.00 0.34 -5.83 4.17 4.39 -1.78 -3.43 114.58 112.44 2rqb h GLU 1005Ca -0.00 -0.22 -0.61 0.00 0.34 0.00 0.00 59.36 58.87 2rqb h GLU 1005Cb 0.55 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.21 2rqb h GLU 1005CO 0.03 0.81 1.49 -0.11 -1.16 0.00 0.00 179.01 180.07 2rqb n LEU 1006N -3.92 2.08 0.00 1.33 7.94 -0.82 -4.75 117.00 118.86 2rqb n LEU 1006Ca -0.03 0.23 0.12 0.00 -1.11 0.00 0.00 56.01 55.22 2rqb n LEU 1006Cb 0.60 -1.31 0.68 0.00 0.53 0.00 0.00 43.42 43.92 2rqb n LEU 1006CO 0.45 -0.86 0.87 -0.81 -1.11 0.00 0.00 177.39 175.94 2rqb n PRO 1007N 8.41 0.75 -3.20 1.96 -0.04 -1.26 -4.71 135.00 136.91 2rqb n PRO 1007Ca 0.42 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.49 2rqb n PRO 1007Cb 0.28 -1.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.00 5.13 0.47 0.52 1.09 -1.26 -4.89 121.20 120.26 2rqb s ILE 1008Ca 0.35 1.16 -0.23 0.00 -1.10 0.00 0.00 60.65 60.83 2rqb s ILE 1008Cb 0.16 -3.91 -0.07 0.00 -1.06 0.00 0.00 42.46 37.58 2rqb s ILE 1008CO 0.27 0.30 1.22 0.28 -0.10 0.00 0.00 174.94 176.90 2rqb s THR 1009N 0.69 2.83 0.27 2.92 -1.32 -1.26 -4.93 115.64 114.84 2rqb s THR 1009Ca 0.31 0.63 0.08 0.00 -1.21 0.00 0.00 61.69 61.51 2rqb s THR 1009Cb -0.16 -3.33 -0.05 0.00 -1.51 0.00 0.00 72.50 67.45 2rqb s THR 1009CO 0.14 0.00 -0.11 -0.36 -2.21 0.00 0.00 174.62 172.07 2rqb s PHE 1010N -1.46 2.03 0.00 9.09 0.40 -1.26 -4.32 117.98 122.46 2rqb s PHE 1010Ca 0.65 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 56.42 2rqb s PHE 1010Cb -0.32 -1.05 0.00 0.00 0.51 0.00 0.00 43.02 42.16 2rqb s PHE 1010CO 0.39 0.44 0.00 -0.35 0.70 0.00 0.00 175.22 176.40 2rqb n PRO 1011N -0.57 0.13 -3.38 0.24 -0.04 -1.26 -5.02 135.00 125.10 2rqb n PRO 1011Ca -0.06 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.27 2rqb n PRO 1011Cb 0.62 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.99 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 0.83 -0.16 3.54 0.01 -1.26 -4.07 114.94 112.58 2rqb s ASN 1012Ca 0.00 -0.21 0.01 0.00 -0.71 0.00 0.00 52.86 51.95 2rqb s ASN 1012Cb 0.00 0.83 0.00 0.00 0.41 0.00 0.00 41.25 42.49 2rqb s ASN 1012CO 0.00 -0.34 -0.18 -0.22 -1.51 0.00 0.00 177.10 174.86 2rqb s LEU 1013N 2.46 2.33 0.37 0.60 0.20 0.17 -4.88 118.68 119.93 2rqb s LEU 1013Ca 0.10 -0.53 0.08 0.00 0.69 0.00 0.00 54.13 54.46 2rqb s LEU 1013Cb -0.15 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.07 2rqb s LEU 1013CO -0.22 0.07 0.30 -0.62 -0.29 0.00 0.00 176.35 175.59 2rqb s ASP 1014N 0.91 5.04 -0.09 3.68 3.68 -1.26 -4.12 116.67 124.50 2rqb s ASP 1014Ca -0.04 -0.68 -0.07 0.00 2.13 0.00 0.00 52.55 53.89 2rqb s ASP 1014Cb -0.15 -0.74 -0.27 0.00 -1.45 0.00 0.00 42.92 40.31 2rqb s ASP 1014CO -0.02 -0.48 0.48 1.88 0.13 0.00 0.00 175.17 177.16 2rqb h TYR 1015N 1.21 0.52 0.00 -5.34 0.05 -1.96 -3.32 116.97 108.14 2rqb h TYR 1015Ca -0.43 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 57.97 2rqb h TYR 1015Cb 1.26 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.98 2rqb h TYR 1015CO 0.54 1.70 0.09 1.03 -1.05 0.00 0.00 178.16 180.47 2rqb h SER 1016N 0.08 0.00 -0.84 3.88 0.87 -2.03 -2.57 113.55 112.94 2rqb h SER 1016Ca -0.39 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.35 2rqb h SER 1016Cb 2.05 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.85 2rqb h SER 1016CO 0.12 0.00 -0.15 -0.33 -0.53 0.00 0.00 176.83 175.93 2rqb h GLU 1017N 0.00 0.02 -4.64 2.24 5.08 -1.99 -3.43 114.58 111.85 2rqb h GLU 1017Ca 0.00 -0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.95 2rqb h GLU 1017Cb 0.18 -0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.31 2rqb h GLU 1017CO 0.00 0.01 -0.38 0.00 -1.00 0.00 0.00 179.01 177.64 2rqb h LEU 1020N 7.85 0.00 0.00 0.00 -0.00 -1.95 0.17 115.31 121.38 2rqb h LEU 1020Ca 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.49 2rqb h LEU 1020Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2rqb h LEU 1020CO 1.71 0.00 0.00 0.49 -0.00 0.00 0.00 178.44 180.64 2rqb n PHE 1021N -2.63 0.00 -1.11 1.13 3.72 -1.26 -2.74 117.46 114.57 2rqb n PHE 1021Ca -0.02 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.20 2rqb n PHE 1021Cb 0.12 -0.42 -0.05 0.00 -0.94 0.00 0.00 39.48 38.19 2rqb n PHE 1021CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2rqb n SER 1022N -1.42 6.07 -1.97 4.37 2.88 0.60 -4.71 113.62 119.43 2rqb n SER 1022Ca 0.03 -2.92 -0.06 0.00 -1.33 0.00 0.00 58.87 54.60 2rqb n SER 1022Cb 0.10 -1.22 -0.01 0.00 -0.75 0.00 0.00 64.21 62.34 2rqb n SER 1022CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2rqb n ASP 1023N 1.16 -2.04 -3.33 -3.46 -0.08 -1.19 -4.86 116.55 102.76 2rqb n ASP 1023Ca 0.37 0.28 -0.25 0.00 -1.51 0.00 0.00 54.79 53.68 2rqb n ASP 1023Cb 0.64 -1.94 0.24 0.00 2.34 0.00 0.00 41.12 42.39 2rqb n ASP 1023CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2rqb n GLU 1024N -2.16 -3.56 0.00 -0.67 1.02 -1.11 -5.15 120.64 109.02 2rqb n GLU 1024Ca -0.06 -1.18 0.15 0.00 -0.02 0.00 0.00 57.16 56.05 2rqb n GLU 1024Cb 0.41 -1.74 0.84 0.00 -0.02 0.00 0.00 31.44 30.93 2rqb n GLU 1024CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84