#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 -0.37 0.36 1.61 0.04 -1.26 -5.10 135.00 130.28 2rqb s PRO 892 Ca 0.00 -0.28 -0.01 0.00 0.04 0.00 0.00 61.00 60.75 2rqb s PRO 892 Cb 0.00 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.83 2rqb s PRO 892 CO 0.00 -3.11 0.48 -0.51 0.04 0.00 0.00 177.00 173.90 2rqb s LEU 893 N -6.43 1.12 -0.29 -3.56 1.02 -1.26 -5.18 118.68 104.10 2rqb s LEU 893 Ca 0.73 -1.56 -0.37 0.00 0.02 0.00 0.00 54.13 52.95 2rqb s LEU 893 Cb -0.06 1.44 0.17 0.00 0.02 0.00 0.00 46.19 47.75 2rqb s LEU 893 CO 0.55 -1.32 1.39 -0.83 0.02 0.00 0.00 176.35 176.15 2rqb s GLY 894 N -3.27 -0.14 0.00 -3.19 0.00 -1.26 -4.88 107.32 94.58 2rqb s GLY 894 Ca 0.31 2.11 0.00 0.00 0.00 0.00 0.00 44.72 47.15 2rqb s GLY 894 CO 0.22 0.73 0.00 1.44 0.00 0.00 0.00 173.10 175.50 2rqb n SER 895 N 0.09 0.00 -4.42 1.64 7.64 -1.26 -5.07 113.62 112.25 2rqb n SER 895 Ca 0.05 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.70 2rqb n SER 895 Cb 0.57 -0.30 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 2rqb n SER 895 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2rqb s TYR 896 N -0.61 2.09 -0.05 1.43 2.02 -1.26 -5.03 117.35 115.93 2rqb s TYR 896 Ca 0.00 -0.41 0.08 0.00 -0.37 0.00 0.00 57.07 56.37 2rqb s TYR 896 Cb 0.00 -0.94 0.13 0.00 -0.40 0.00 0.00 41.96 40.75 2rqb s TYR 896 CO 0.00 0.56 1.07 1.17 -1.57 0.00 0.00 175.55 176.78 2rqb n LYS 897 N -0.38 0.49 -0.53 -0.62 4.81 -1.26 -4.74 118.16 115.93 2rqb n LYS 897 Ca -0.07 -1.67 0.04 0.00 -0.87 0.00 0.00 58.31 55.74 2rqb n LYS 897 Cb 0.59 -0.86 0.23 0.00 0.02 0.00 0.00 35.03 35.02 2rqb n LYS 897 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 2rqb n ASN 898 N -0.51 3.75 -4.53 3.14 2.85 -1.26 -4.72 115.26 113.98 2rqb n ASN 898 Ca 0.06 -2.55 -0.35 0.00 -0.11 0.00 0.00 54.58 51.64 2rqb n ASN 898 Cb 0.70 -0.61 -0.11 0.00 1.24 0.00 0.00 39.78 41.00 2rqb n ASN 898 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2rqb s ASN 899 N -0.45 5.16 0.00 1.20 2.47 -1.26 -3.18 114.94 118.89 2rqb s ASN 899 Ca 0.32 -0.08 0.23 0.00 0.42 0.00 0.00 52.86 53.75 2rqb s ASN 899 Cb 0.24 -1.88 1.39 0.00 -1.45 0.00 0.00 41.25 39.55 2rqb s ASN 899 CO 0.09 0.11 1.77 -0.81 -3.72 0.00 0.00 177.10 174.54 2rqb n PRO 900 N 3.94 0.75 0.09 0.43 -0.04 -1.26 -2.42 135.00 136.48 2rqb n PRO 900 Ca -0.17 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.30 2rqb n PRO 900 Cb 0.52 -1.48 -0.03 0.00 -0.04 0.00 0.00 33.50 32.47 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 0.97 3.54 0.87 -1.93 -1.92 113.55 115.09 2rqb h SER 901 Ca 0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2rqb h SER 901 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2rqb h SER 901 CO 0.00 0.54 -1.08 -0.07 -0.53 0.00 0.00 176.83 175.70 2rqb h LEU 902 N 0.00 0.00 -9.81 2.23 3.38 -1.86 -3.46 115.31 105.78 2rqb h LEU 902 Ca -0.07 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.28 2rqb h LEU 902 Cb 1.48 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.17 2rqb h LEU 902 CO 0.06 0.30 -0.54 0.27 0.09 0.00 0.00 178.44 178.62 2rqb s ILE 903 N -3.13 5.03 0.10 1.22 -4.36 -1.22 0.12 121.20 118.95 2rqb s ILE 903 Ca -0.01 -0.59 -0.03 0.00 -0.26 0.00 0.00 60.65 59.76 2rqb s ILE 903 Cb 0.09 -3.46 -0.03 0.00 1.25 0.00 0.00 42.46 40.31 2rqb s ILE 903 CO 0.79 0.10 0.08 -0.89 0.24 0.00 0.00 174.94 175.26 2rqb s THR 904 N -1.50 0.15 -0.09 8.37 2.01 -1.08 -3.32 115.64 120.18 2rqb s THR 904 Ca 0.33 -1.67 -0.07 0.00 0.31 0.00 0.00 61.69 60.58 2rqb s THR 904 Cb -0.12 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.64 2rqb s THR 904 CO 0.26 -0.66 0.18 -0.36 -0.69 0.00 0.00 174.62 173.35 2rqb s PHE 905 N -3.96 3.61 0.28 4.92 0.08 0.97 -2.69 117.98 121.19 2rqb s PHE 905 Ca 0.14 0.57 0.02 0.00 0.12 0.00 0.00 56.93 57.78 2rqb s PHE 905 Cb 0.07 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 2rqb s PHE 905 CO -0.05 0.71 0.12 -0.51 -0.10 0.00 0.00 175.22 175.39 2rqb s LEU 906 N -1.17 1.67 -0.26 -0.37 1.43 -0.36 -2.10 118.68 117.52 2rqb s LEU 906 Ca 0.18 -1.45 -0.20 0.00 -1.03 0.00 0.00 54.13 51.62 2rqb s LEU 906 Cb -0.13 0.07 -0.02 0.00 0.03 0.00 0.00 46.19 46.14 2rqb s LEU 906 CO 0.07 -0.79 0.63 0.00 0.23 0.00 0.00 176.35 176.49 2rqb h LYS 908 N 7.96 -0.46 -0.15 0.00 3.64 -1.44 0.23 116.57 126.34 2rqb h LYS 908 Ca -0.27 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.18 2rqb h LYS 908 Cb 1.12 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.98 2rqb h LYS 908 CO 0.78 -0.31 -0.49 -0.91 -2.27 0.00 0.00 179.45 176.25 2rqb h ASN 909 N -0.48 -1.56 0.00 4.20 4.21 -1.93 -3.41 115.58 116.61 2rqb h ASN 909 Ca 0.08 0.19 0.00 0.00 1.21 0.00 0.00 56.30 57.78 2rqb h ASN 909 Cb 0.61 0.62 0.00 0.00 -1.12 0.00 0.00 38.32 38.43 2rqb h ASN 909 CO -0.37 -0.46 0.00 0.00 -1.29 0.00 0.00 177.43 175.31 2rqb n SER 911 N 0.00 0.00 -4.78 0.00 2.88 0.75 -4.73 113.62 107.74 2rqb n SER 911 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2rqb n SER 911 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2rqb n SER 911 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2rqb s VAL 912 N 0.00 5.13 -0.35 2.46 -7.23 -1.26 -4.54 120.40 114.61 2rqb s VAL 912 Ca 0.00 0.83 -0.28 0.00 -1.81 0.00 0.00 61.98 60.72 2rqb s VAL 912 Cb 0.00 -3.74 -0.03 0.00 0.56 0.00 0.00 36.38 33.17 2rqb s VAL 912 CO 0.00 0.46 1.96 -0.22 -0.31 0.00 0.00 175.10 176.99 2rqb s LEU 913 N -0.21 3.45 -0.04 1.32 1.98 -1.26 -2.67 118.68 121.25 2rqb s LEU 913 Ca 0.23 1.31 -0.01 0.00 -2.89 0.00 0.00 54.13 52.77 2rqb s LEU 913 Cb -0.15 -3.30 -0.26 0.00 0.66 0.00 0.00 46.19 43.13 2rqb s LEU 913 CO 0.11 -1.96 0.68 0.00 -1.89 0.00 0.00 176.35 173.29 2rqb h ALA 914 N 14.26 0.43 -1.30 5.97 0.00 -1.77 -3.49 119.26 133.36 2rqb h ALA 914 Ca -0.34 -1.27 0.31 0.00 0.00 0.00 0.00 54.91 53.62 2rqb h ALA 914 Cb 1.19 0.44 -0.17 0.00 0.00 0.00 0.00 17.79 19.26 2rqb h ALA 914 CO 1.05 1.29 0.88 0.00 0.00 0.00 0.00 179.25 182.47 2rqb s SER 916 N -2.45 5.20 0.17 0.00 0.01 -1.26 -0.02 113.70 115.35 2rqb s SER 916 Ca 0.12 -0.32 -0.14 0.00 1.31 0.00 0.00 55.95 56.92 2rqb s SER 916 Cb 0.02 -1.24 0.14 0.00 0.21 0.00 0.00 66.02 65.15 2rqb s SER 916 CO -0.04 0.02 1.72 1.23 0.41 0.00 0.00 173.24 176.58 2rqb h GLY 917 N 2.04 0.51 2.00 3.44 0.00 -1.51 0.22 103.07 109.77 2rqb h GLY 917 Ca -0.47 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 2rqb h GLY 917 CO 0.61 -0.05 -0.01 1.05 0.00 0.00 0.00 176.54 178.14 2rqb h GLU 918 N 0.21 0.00 -1.01 4.80 -0.00 -1.62 0.87 114.58 117.83 2rqb h GLU 918 Ca 0.21 0.00 -0.47 0.00 -0.00 0.00 0.00 59.36 59.10 2rqb h GLU 918 Cb 0.27 0.00 -0.27 0.00 -0.00 0.00 0.00 28.75 28.75 2rqb h GLU 918 CO -0.29 0.01 0.60 -3.47 -0.00 0.00 0.00 179.01 175.86 2rqb n ASP 919 N -3.46 4.08 -4.17 3.06 2.03 0.77 -4.90 116.55 113.96 2rqb n ASP 919 Ca -0.03 -3.44 -0.14 0.00 0.52 0.00 0.00 54.79 51.70 2rqb n ASP 919 Cb 0.09 -0.82 -0.11 0.00 -0.72 0.00 0.00 41.12 39.56 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2rqb s ILE 920 N -3.06 0.89 0.33 5.18 -1.09 0.30 -4.67 121.20 119.09 2rqb s ILE 920 Ca 0.51 -1.66 0.10 0.00 -2.23 0.00 0.00 60.65 57.37 2rqb s ILE 920 Cb 0.43 -1.37 -0.06 0.00 -1.58 0.00 0.00 42.46 39.88 2rqb s ILE 920 CO 0.09 -0.59 -0.06 -1.00 -1.23 0.00 0.00 174.94 172.14 2rqb s HIS 921 N -2.56 2.46 0.12 3.97 3.76 -1.07 -4.75 115.29 117.23 2rqb s HIS 921 Ca 0.06 -0.44 0.11 0.00 -0.15 0.00 0.00 55.06 54.63 2rqb s HIS 921 Cb -0.02 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.26 2rqb s HIS 921 CO -0.01 0.56 -0.27 0.08 -0.85 0.00 0.00 174.74 174.26 2rqb s VAL 922 N -2.55 2.25 -0.19 -0.90 1.01 -1.26 -3.23 120.40 115.53 2rqb s VAL 922 Ca 0.33 -1.69 0.00 0.00 0.00 0.00 0.00 61.98 60.62 2rqb s VAL 922 Cb 0.00 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.45 2rqb s VAL 922 CO 0.18 0.14 -0.07 -0.63 0.00 0.00 0.00 175.10 174.71 2rqb s ILE 923 N -1.02 1.38 -1.26 2.22 -1.09 -0.64 -1.41 121.20 119.36 2rqb s ILE 923 Ca 0.14 -0.90 0.00 0.00 -2.23 0.00 0.00 60.65 57.66 2rqb s ILE 923 Cb -0.10 -1.55 0.00 0.00 -1.58 0.00 0.00 42.46 39.23 2rqb s ILE 923 CO 0.05 0.08 0.00 -0.62 -1.23 0.00 0.00 174.94 173.22 2rqb n GLU 924 N 4.77 -1.63 -2.16 2.79 1.02 -1.26 -0.41 120.64 123.76 2rqb n GLU 924 Ca -0.13 0.71 -0.08 0.00 -0.02 0.00 0.00 57.16 57.64 2rqb n GLU 924 Cb 0.46 -5.08 -0.01 0.00 -0.02 0.00 0.00 31.44 26.79 2rqb n GLU 924 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2rqb n LYS 925 N -2.22 -2.16 0.00 3.49 4.01 -1.26 -4.66 118.16 115.36 2rqb n LYS 925 Ca -0.14 0.42 0.00 0.00 -0.51 0.00 0.00 58.31 58.08 2rqb n LYS 925 Cb 0.50 -4.88 0.00 0.00 -0.51 0.00 0.00 35.03 30.14 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 -2.41 0.86 -4.42 1.97 0.00 0.45 -5.07 117.12 108.50 2rqb n MET 926 Ca -0.09 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.37 2rqb n MET 926 Cb 0.50 -0.96 -0.09 0.00 0.00 0.00 0.00 33.22 32.67 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 -1.92 2.41 -0.27 3.17 3.76 -0.44 -5.01 115.29 116.98 2rqb s HIS 927 Ca 0.00 -0.30 0.02 0.00 -0.15 0.00 0.00 55.06 54.63 2rqb s HIS 927 Cb 0.00 -1.05 0.07 0.00 1.11 0.00 0.00 32.58 32.71 2rqb s HIS 927 CO 0.00 0.69 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.96 2rqb s HIS 928 N -2.43 2.90 -0.08 1.40 2.46 -1.26 -1.63 115.29 116.65 2rqb s HIS 928 Ca 0.30 -2.20 -0.00 0.00 0.47 0.00 0.00 55.06 53.63 2rqb s HIS 928 Cb -0.05 -2.00 -0.03 0.00 -0.13 0.00 0.00 32.58 30.37 2rqb s HIS 928 CO 0.16 -0.85 -0.05 0.14 -2.47 0.00 0.00 174.74 171.66 2rqb s VAL 929 N 1.22 3.82 -0.59 0.89 -7.23 -1.20 -3.95 120.40 113.35 2rqb s VAL 929 Ca -0.02 -0.43 -0.10 0.00 -1.81 0.00 0.00 61.98 59.62 2rqb s VAL 929 Cb -0.19 -2.58 0.15 0.00 0.56 0.00 0.00 36.38 34.32 2rqb s VAL 929 CO -0.08 0.59 0.49 0.21 -0.31 0.00 0.00 175.10 176.00 2rqb s ASN 930 N -0.70 5.95 -0.12 4.85 2.47 0.28 -2.60 114.94 125.08 2rqb s ASN 930 Ca 0.11 -2.25 -0.04 0.00 0.42 0.00 0.00 52.86 51.10 2rqb s ASN 930 Cb -0.11 -2.06 -0.11 0.00 -1.45 0.00 0.00 41.25 37.51 2rqb s ASN 930 CO 0.02 -0.63 3.01 0.23 -3.72 0.00 0.00 177.10 176.00 2rqb n MET 931 N 4.49 1.87 -3.99 0.43 2.81 -1.26 -4.05 117.12 117.41 2rqb n MET 931 Ca -0.01 -1.11 -0.35 0.00 -1.81 0.00 0.00 57.70 54.42 2rqb n MET 931 Cb 0.42 -1.80 -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 -0.11 4.31 0.05 2.03 2.01 -1.26 -4.99 115.64 117.67 2rqb s THR 932 Ca 0.49 -0.19 -0.17 0.00 0.31 0.00 0.00 61.69 62.13 2rqb s THR 932 Cb 0.26 -2.96 -0.21 0.00 0.01 0.00 0.00 72.50 69.60 2rqb s THR 932 CO -0.04 0.41 1.18 1.55 -0.69 0.00 0.00 174.62 177.03 2rqb h PRO 933 N 7.44 0.57 -0.26 4.92 0.13 -1.99 -3.13 132.00 139.68 2rqb h PRO 933 Ca -0.36 -0.56 0.08 0.00 -0.87 0.00 0.00 66.00 64.28 2rqb h PRO 933 Cb 1.18 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2rqb h PRO 933 CO 0.62 1.18 0.24 1.05 -0.23 0.00 0.00 178.00 180.86 2rqb h GLU 934 N 0.18 0.00 0.00 0.86 4.11 -1.98 0.30 114.58 118.05 2rqb h GLU 934 Ca -0.08 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 2rqb h GLU 934 Cb 1.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.66 2rqb h GLU 934 CO 0.15 0.00 -0.12 0.35 0.07 0.00 0.00 179.01 179.46 2rqb h PHE 935 N 0.00 0.00 0.00 2.06 3.57 -1.84 -0.93 116.94 119.80 2rqb h PHE 935 Ca 0.12 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2rqb h PHE 935 Cb 0.60 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.34 2rqb h PHE 935 CO 0.00 0.12 0.00 1.57 -2.23 0.00 0.00 178.31 177.77 2rqb h LYS 936 N 0.00 0.00 -0.15 1.11 2.10 -0.51 0.30 116.57 119.42 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 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 2rqb h LYS 936 CO 0.02 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.86 2rqb n GLU 937 N -2.41 1.79 -0.01 0.07 -0.58 -0.36 -4.23 120.64 114.92 2rqb n GLU 937 Ca -0.00 -1.76 0.05 0.00 -0.42 0.00 0.00 57.16 55.02 2rqb n GLU 937 Cb 0.12 -1.36 -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 1.03 0.00 -4.32 -4.62 4.77 0.81 -5.00 117.00 109.66 2rqb n LEU 938 Ca 0.12 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.85 2rqb n LEU 938 Cb 0.47 0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 2rqb n LEU 938 CO 0.12 0.01 -0.53 -0.72 -1.33 0.00 0.00 177.39 174.93 2rqb s TYR 939 N -2.66 1.97 -0.03 -1.77 -0.85 0.14 -4.05 117.35 110.10 2rqb s TYR 939 Ca -0.04 -0.41 0.05 0.00 -0.52 0.00 0.00 57.07 56.16 2rqb s TYR 939 Cb 0.06 -1.07 -0.01 0.00 0.38 0.00 0.00 41.96 41.32 2rqb s TYR 939 CO 0.40 0.26 -0.17 0.42 -1.52 0.00 0.00 175.55 174.93 2rqb s ILE 940 N -1.16 1.43 -0.11 -3.49 1.01 0.28 -4.75 121.20 114.41 2rqb s ILE 940 Ca 0.09 -0.74 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 2rqb s ILE 940 Cb -0.10 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.11 2rqb s ILE 940 CO 0.05 0.41 0.29 -0.69 0.00 0.00 0.00 174.94 175.00 2rqb s VAL 941 N -0.14 5.28 -0.21 2.92 1.01 -1.26 -0.92 120.40 127.08 2rqb s VAL 941 Ca 0.00 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 2rqb s VAL 941 Cb -0.10 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 2rqb s VAL 941 CO 0.01 0.48 -0.03 -0.13 0.00 0.00 0.00 175.10 175.44 2rqb s ARG 942 N -0.23 3.48 -0.57 2.72 3.00 -1.12 -5.02 118.95 121.21 2rqb s ARG 942 Ca 0.18 -0.58 -0.32 0.00 0.00 0.00 0.00 55.73 55.00 2rqb s ARG 942 Cb -0.14 -3.02 -0.14 0.00 0.00 0.00 0.00 34.95 31.66 2rqb s ARG 942 CO 0.06 -0.09 2.38 -1.91 0.00 0.00 0.00 175.30 175.74 2rqb n GLU 943 N 4.51 0.72 -3.68 3.54 2.13 -1.26 -4.15 120.64 122.45 2rqb n GLU 943 Ca -0.18 0.12 -0.10 0.00 0.66 0.00 0.00 57.16 57.67 2rqb n GLU 943 Cb 0.51 -2.40 -0.10 0.00 0.27 0.00 0.00 31.44 29.72 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 8.94 -0.61 0.00 4.31 2.47 -1.26 -5.01 114.94 123.78 2rqb s ASN 944 Ca 1.14 1.03 0.23 0.00 0.42 0.00 0.00 52.86 55.68 2rqb s ASN 944 Cb -0.83 0.91 0.11 0.00 -1.45 0.00 0.00 41.25 40.00 2rqb s ASN 944 CO 0.44 -0.20 1.15 2.29 -3.72 0.00 0.00 177.10 177.05 2rqb n LYS 945 N 4.23 0.44 0.12 0.43 2.85 -1.26 -3.99 118.16 120.98 2rqb n LYS 945 Ca -0.22 -0.34 0.09 0.00 -1.05 0.00 0.00 58.31 56.79 2rqb n LYS 945 Cb 0.56 -1.49 0.45 0.00 -0.65 0.00 0.00 35.03 33.90 2rqb n LYS 945 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2rqb n ALA 946 N -0.99 1.23 -0.70 0.58 0.00 -1.26 -3.70 120.51 115.67 2rqb n ALA 946 Ca 0.07 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2rqb n ALA 946 Cb 0.37 -1.28 0.00 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 -2.08 0.00 -4.54 0.00 7.99 -1.26 -5.02 117.00 112.09 2rqb n LEU 947 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.68 2rqb n LEU 947 Cb 0.09 -0.12 0.16 0.00 -0.11 0.00 0.00 43.42 43.43 2rqb n LEU 947 CO 0.11 -0.15 0.31 0.00 -1.51 0.00 0.00 177.39 176.15 2rqb n GLN 948 N -1.74 -0.61 -3.15 3.23 -0.00 -1.24 -5.03 117.38 108.84 2rqb n GLN 948 Ca 0.00 -0.13 -0.10 0.00 -0.00 0.00 0.00 57.00 56.77 2rqb n GLN 948 Cb 0.00 -2.13 -0.02 0.00 -0.00 0.00 0.00 30.24 28.09 2rqb n GLN 948 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2rqb n LYS 949 N -3.23 0.41 -2.68 2.61 5.02 -1.26 -4.79 118.16 114.24 2rqb n LYS 949 Ca 0.09 -1.83 -0.42 0.00 -2.02 0.00 0.00 58.31 54.12 2rqb n LYS 949 Cb 0.53 1.71 0.01 0.00 -0.02 0.00 0.00 35.03 37.26 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 -0.37 4.51 -3.94 1.97 5.02 -1.26 -4.64 118.16 119.44 2rqb n LYS 950 Ca 0.01 -4.25 -0.23 0.00 -2.02 0.00 0.00 58.31 51.83 2rqb n LYS 950 Cb 0.37 -2.60 -0.05 0.00 -0.02 0.00 0.00 35.03 32.72 2rqb n LYS 950 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rqb n ALA 952 N -1.29 2.14 0.06 0.00 0.00 -1.26 -4.51 120.51 115.64 2rqb n ALA 952 Ca -0.01 -0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.03 2rqb n ALA 952 Cb 0.62 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 2rqb n ALA 952 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2rqb h ASP 953 N 0.00 0.00 -0.23 0.00 5.19 -1.97 -3.45 116.42 115.95 2rqb h ASP 953 Ca 0.00 0.00 0.23 0.00 -0.62 0.00 0.00 57.03 56.64 2rqb h ASP 953 Cb 0.08 0.00 -0.19 0.00 0.18 0.00 0.00 39.33 39.40 2rqb h ASP 953 CO 0.00 0.38 0.01 -0.31 -3.12 0.00 0.00 179.24 176.20 2rqb s TYR 954 N -3.07 -0.43 0.24 4.55 2.02 -1.26 -5.04 117.35 114.36 2rqb s TYR 954 Ca -0.02 0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.65 2rqb s TYR 954 Cb 0.09 0.08 -0.09 0.00 -0.40 0.00 0.00 41.96 41.64 2rqb s TYR 954 CO 0.80 -0.25 1.02 -1.14 -1.57 0.00 0.00 175.55 174.41 2rqb s GLN 955 N 2.96 4.74 0.21 -0.62 -0.44 -1.21 -4.78 119.66 120.51 2rqb s GLN 955 Ca 0.25 1.64 0.11 0.00 -2.50 0.00 0.00 55.36 54.86 2rqb s GLN 955 Cb -0.02 -3.25 -0.04 0.00 -1.64 0.00 0.00 33.01 28.05 2rqb s GLN 955 CO -0.22 0.33 -0.19 0.42 0.50 0.00 0.00 175.29 176.14 2rqb s ILE 956 N -1.01 2.63 -0.14 -2.34 -1.09 -1.26 0.20 121.20 118.19 2rqb s ILE 956 Ca 0.44 -2.00 0.19 0.00 -2.23 0.00 0.00 60.65 57.05 2rqb s ILE 956 Cb -0.29 -2.30 -0.28 0.00 -1.58 0.00 0.00 42.46 38.02 2rqb s ILE 956 CO 0.36 -0.17 0.23 0.59 -1.23 0.00 0.00 174.94 174.71 2rqb n ASN 957 N 0.02 0.03 0.00 3.58 5.03 -0.74 -4.70 115.26 118.47 2rqb n ASN 957 Ca -0.11 0.01 0.00 0.00 0.87 0.00 0.00 54.58 55.36 2rqb n ASN 957 Cb 0.57 1.31 0.00 0.00 -1.02 0.00 0.00 39.78 40.63 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 1.58 -0.43 3.09 7.41 0.00 -1.26 -4.64 105.19 110.94 2rqb n GLY 958 Ca -0.23 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.55 2.20 0.06 1.61 2.12 -1.26 -3.12 118.70 118.76 2rqb s GLU 959 Ca 0.00 -0.58 -0.23 0.00 0.36 0.00 0.00 54.97 54.52 2rqb s GLU 959 Cb 0.00 -1.74 -0.06 0.00 0.26 0.00 0.00 34.13 32.59 2rqb s GLU 959 CO 0.00 0.08 0.69 0.96 -0.54 0.00 0.00 175.26 176.45 2rqb s ILE 960 N 0.56 4.70 0.02 -3.70 -4.36 -1.20 -2.81 121.20 114.42 2rqb s ILE 960 Ca -0.16 1.47 0.01 0.00 -0.26 0.00 0.00 60.65 61.72 2rqb s ILE 960 Cb -0.17 -4.03 -0.01 0.00 1.25 0.00 0.00 42.46 39.50 2rqb s ILE 960 CO 0.05 0.45 -0.05 0.27 0.24 0.00 0.00 174.94 175.90 2rqb s ILE 961 N -0.50 0.36 0.60 8.37 -4.36 -0.10 -0.18 121.20 125.38 2rqb s ILE 961 Ca 0.34 -0.64 -0.10 0.00 -0.26 0.00 0.00 60.65 60.00 2rqb s ILE 961 Cb -0.20 -0.39 0.15 0.00 1.25 0.00 0.00 42.46 43.27 2rqb s ILE 961 CO 0.21 -0.19 0.38 0.00 0.24 0.00 0.00 174.94 175.59 2rqb h LYS 963 N 0.00 -0.21 -1.00 0.00 1.79 -1.92 -1.74 116.57 113.50 2rqb h LYS 963 Ca -0.17 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.41 2rqb h LYS 963 Cb 0.55 0.05 -0.08 0.00 -1.58 0.00 0.00 32.23 31.17 2rqb h LYS 963 CO 0.10 -0.14 0.63 0.00 -1.08 0.00 0.00 179.45 178.97 2rqb n GLY 965 N -1.35 1.81 3.64 0.00 0.00 -0.65 -5.11 105.19 103.53 2rqb n GLY 965 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.03 4.15 -0.75 1.61 2.00 -1.26 -4.70 119.66 120.68 2rqb s GLN 966 Ca 0.00 0.52 -0.27 0.00 -2.00 0.00 0.00 55.36 53.61 2rqb s GLN 966 Cb 0.00 -3.61 -0.16 0.00 0.80 0.00 0.00 33.01 30.04 2rqb s GLN 966 CO 0.00 -0.31 2.51 0.00 -0.50 0.00 0.00 175.29 176.99 2rqb n ALA 967 N 5.33 0.58 0.03 1.58 0.00 -1.26 -0.96 120.51 125.81 2rqb n ALA 967 Ca -0.02 -0.72 -0.13 0.00 0.00 0.00 0.00 53.44 52.57 2rqb n ALA 967 Cb 0.49 -2.79 -0.02 0.00 0.00 0.00 0.00 19.45 17.14 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 15.41 0.75 0.00 0.00 6.55 -0.89 -3.42 115.95 134.35 2rqb h TRP 968 Ca -0.12 -0.34 0.00 0.00 0.95 0.00 0.00 58.89 59.38 2rqb h TRP 968 Cb 1.25 -0.11 0.00 0.00 -0.86 0.00 0.00 29.16 29.44 2rqb h TRP 968 CO 1.06 1.13 0.00 0.41 -1.05 0.00 0.00 178.44 179.99 2rqb n GLY 969 N 0.65 -0.44 3.17 1.49 0.00 -1.10 0.77 105.19 109.73 2rqb n GLY 969 Ca -0.06 0.29 -0.11 0.00 0.00 0.00 0.00 46.02 46.14 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 0.09 -0.78 2.61 -4.23 -0.06 -3.23 115.64 110.05 2rqb s THR 970 Ca 0.00 -0.78 -0.16 0.00 -1.18 0.00 0.00 61.69 59.57 2rqb s THR 970 Cb 0.00 -0.75 0.18 0.00 1.34 0.00 0.00 72.50 73.27 2rqb s THR 970 CO 0.00 -0.43 0.79 -0.32 -0.54 0.00 0.00 174.62 174.12 2rqb s MET 971 N -2.09 3.46 0.38 3.99 1.75 -1.18 -0.16 119.30 125.44 2rqb s MET 971 Ca -0.09 -2.10 -0.20 0.00 -1.25 0.00 0.00 55.69 52.06 2rqb s MET 971 Cb -0.03 -4.48 -0.10 0.00 2.84 0.00 0.00 34.83 33.05 2rqb s MET 971 CO -0.01 -1.42 0.88 -1.64 -0.65 0.00 0.00 175.02 172.18 2rqb s MET 972 N 1.13 4.20 0.12 4.11 -1.94 -0.58 -1.79 119.30 124.55 2rqb s MET 972 Ca 0.18 1.01 0.09 0.00 -1.71 0.00 0.00 55.69 55.26 2rqb s MET 972 Cb -0.13 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.33 2rqb s MET 972 CO -0.06 0.07 -0.23 0.08 -0.01 0.00 0.00 175.02 174.87 2rqb s VAL 973 N -2.04 1.93 -0.27 -6.03 1.01 0.54 -0.51 120.40 115.03 2rqb s VAL 973 Ca 0.58 -1.66 -0.04 0.00 0.00 0.00 0.00 61.98 60.86 2rqb s VAL 973 Cb -0.11 -1.74 0.09 0.00 0.00 0.00 0.00 36.38 34.63 2rqb s VAL 973 CO 0.16 -0.03 0.13 -2.28 0.00 0.00 0.00 175.10 173.07 2rqb s HIS 974 N -1.20 0.29 -1.96 5.22 5.04 -0.89 -3.31 115.29 118.47 2rqb s HIS 974 Ca 0.10 -0.78 0.00 0.00 -1.54 0.00 0.00 55.06 52.84 2rqb s HIS 974 Cb -0.10 -0.86 0.00 0.00 0.04 0.00 0.00 32.58 31.66 2rqb s HIS 974 CO 0.05 -0.78 0.00 1.63 -2.34 0.00 0.00 174.74 173.30 2rqb n LYS 975 N 5.26 -1.51 0.00 2.88 5.02 -1.26 -0.11 118.16 128.43 2rqb n LYS 975 Ca -0.06 1.11 0.00 0.00 -2.02 0.00 0.00 58.31 57.34 2rqb n LYS 975 Cb 0.43 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.85 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 -0.73 0.49 3.87 0.72 0.00 -1.26 -4.91 105.19 103.38 2rqb n GLY 976 Ca -0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.50 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 2.89 -0.22 0.99 1.98 0.84 -5.05 118.68 120.11 2rqb s LEU 977 Ca 0.00 1.18 -0.03 0.00 -2.89 0.00 0.00 54.13 52.39 2rqb s LEU 977 Cb 0.00 -3.98 -0.00 0.00 0.66 0.00 0.00 46.19 42.87 2rqb s LEU 977 CO 0.00 -1.38 -0.06 -1.81 -1.89 0.00 0.00 176.35 171.22 2rqb s ASP 978 N -4.29 4.21 -0.31 3.68 1.11 -1.26 -2.09 116.67 117.71 2rqb s ASP 978 Ca 0.58 -0.43 -0.02 0.00 0.18 0.00 0.00 52.55 52.85 2rqb s ASP 978 Cb -0.11 -1.72 0.12 0.00 1.07 0.00 0.00 42.92 42.28 2rqb s ASP 978 CO 0.52 -0.02 0.16 -0.76 1.18 0.00 0.00 175.17 176.25 2rqb s LEU 979 N 1.46 0.67 -0.08 1.23 1.02 0.33 -4.88 118.68 118.43 2rqb s LEU 979 Ca 0.06 -1.59 -0.30 0.00 0.02 0.00 0.00 54.13 52.31 2rqb s LEU 979 Cb -0.14 -0.34 -0.03 0.00 0.02 0.00 0.00 46.19 45.70 2rqb s LEU 979 CO -0.04 -0.39 1.23 -2.16 0.02 0.00 0.00 176.35 175.01 2rqb s PRO 980 N 1.74 4.32 -0.45 1.29 0.04 -1.26 -1.53 135.00 139.15 2rqb s PRO 980 Ca 0.12 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.74 2rqb s PRO 980 Cb -0.18 -3.61 0.09 0.00 0.04 0.00 0.00 34.50 30.83 2rqb s PRO 980 CO -0.23 -0.52 0.34 0.00 0.04 0.00 0.00 177.00 176.62 2rqb s LEU 982 N 1.50 2.72 -0.14 0.00 2.01 -1.25 -0.88 118.68 122.63 2rqb s LEU 982 Ca 0.04 1.24 -0.01 0.00 0.01 0.00 0.00 54.13 55.41 2rqb s LEU 982 Cb -0.25 -3.93 0.03 0.00 0.01 0.00 0.00 46.19 42.06 2rqb s LEU 982 CO 0.03 -1.73 -0.06 -0.54 1.01 0.00 0.00 176.35 175.07 2rqb s LYS 983 N -5.23 1.42 0.62 1.70 1.02 0.23 -4.86 119.74 114.64 2rqb s LYS 983 Ca 0.60 -0.38 0.34 0.00 0.02 0.00 0.00 55.97 56.54 2rqb s LYS 983 Cb -0.13 -1.80 1.92 0.00 -0.52 0.00 0.00 37.83 37.30 2rqb s LYS 983 CO 0.53 -0.37 2.20 0.82 -0.92 0.00 0.00 175.35 177.62 2rqb h ILE 984 N 6.30 0.30 0.00 2.17 2.04 -1.85 0.51 117.51 126.98 2rqb h ILE 984 Ca -0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.60 2rqb h ILE 984 Cb 1.12 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 2rqb h ILE 984 CO 0.40 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.44 2rqb n ARG 985 N -3.51 0.20 0.00 2.37 1.85 -0.09 -1.68 116.66 115.80 2rqb n ARG 985 Ca -0.01 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 2rqb n ARG 985 Cb 0.20 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.11 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 -1.30 0.74 -3.44 2.89 3.02 0.17 -5.01 115.26 112.33 2rqb n ASN 986 Ca 0.07 -1.14 -0.19 0.00 -0.03 0.00 0.00 54.58 53.29 2rqb n ASN 986 Cb 0.12 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.25 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 -0.07 0.54 -4.11 3.10 3.01 -0.68 -1.41 117.46 117.84 2rqb n PHE 987 Ca 0.00 -1.56 -0.08 0.00 1.01 0.00 0.00 57.45 56.82 2rqb n PHE 987 Cb 0.16 -0.15 -0.10 0.00 -0.01 0.00 0.00 39.48 39.38 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 -2.23 0.38 -0.16 -4.37 1.01 0.09 -4.41 120.40 110.72 2rqb s VAL 988 Ca 0.04 -1.83 0.01 0.00 0.00 0.00 0.00 61.98 60.19 2rqb s VAL 988 Cb 0.00 -1.55 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2rqb s VAL 988 CO 0.03 -0.94 -0.16 -0.69 0.00 0.00 0.00 175.10 173.33 2rqb s VAL 989 N -3.76 1.75 -0.19 2.92 1.01 -0.15 -1.22 120.40 120.76 2rqb s VAL 989 Ca 0.08 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.30 2rqb s VAL 989 Cb 0.07 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.84 2rqb s VAL 989 CO -0.08 0.47 -0.16 -0.69 0.00 0.00 0.00 175.10 174.65 2rqb s VAL 990 N 1.41 2.41 0.14 2.92 1.01 -1.10 0.30 120.40 127.49 2rqb s VAL 990 Ca 0.05 -0.83 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 2rqb s VAL 990 Cb -0.13 -2.05 -0.07 0.00 0.00 0.00 0.00 36.38 34.14 2rqb s VAL 990 CO -0.11 0.50 0.88 -0.36 0.00 0.00 0.00 175.10 176.01 2rqb s PHE 991 N 1.34 3.86 -0.05 5.22 0.08 -1.09 -2.64 117.98 124.69 2rqb s PHE 991 Ca 0.05 1.74 -0.10 0.00 0.12 0.00 0.00 56.93 58.73 2rqb s PHE 991 Cb -0.13 -2.94 -0.30 0.00 -0.57 0.00 0.00 43.02 39.08 2rqb s PHE 991 CO -0.10 0.34 0.64 -0.22 -0.10 0.00 0.00 175.22 175.78 2rqb h LYS 992 N 5.01 0.38 -0.94 0.44 3.64 0.52 -3.34 116.57 122.28 2rqb h LYS 992 Ca -0.44 -0.65 0.13 0.00 -1.27 0.00 0.00 60.65 58.42 2rqb h LYS 992 Cb 1.21 0.24 -0.14 0.00 -0.41 0.00 0.00 32.23 33.12 2rqb h LYS 992 CO 0.70 1.30 -0.43 -0.91 -2.27 0.00 0.00 179.45 177.83 2rqb h ASN 993 N 0.10 -1.58 -4.09 4.20 -0.26 -1.93 -3.39 115.58 108.62 2rqb h ASN 993 Ca -0.35 0.31 -0.46 0.00 -0.56 0.00 0.00 56.30 55.24 2rqb h ASN 993 Cb 2.09 0.78 -0.29 0.00 -1.06 0.00 0.00 38.32 39.84 2rqb h ASN 993 CO 0.17 -0.28 -0.80 0.21 -1.06 0.00 0.00 177.43 175.67 2rqb s ASN 994 N -5.36 1.46 -0.72 5.81 2.47 -1.26 -4.87 114.94 112.47 2rqb s ASN 994 Ca -0.13 -0.23 -0.25 0.00 0.42 0.00 0.00 52.86 52.67 2rqb s ASN 994 Cb 0.18 -0.21 -0.13 0.00 -1.45 0.00 0.00 41.25 39.64 2rqb s ASN 994 CO 0.69 0.14 2.41 -1.20 -3.72 0.00 0.00 177.10 175.42 2rqb n SER 995 N 2.86 1.71 -3.75 -4.21 7.64 -1.26 -4.51 113.62 112.10 2rqb n SER 995 Ca -0.15 -1.09 -0.11 0.00 1.01 0.00 0.00 58.87 58.53 2rqb n SER 995 Cb 0.55 -1.55 -0.07 0.00 -1.01 0.00 0.00 64.21 62.13 2rqb n SER 995 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2rqb s THR 996 N 13.02 0.08 -0.21 0.44 2.01 -1.25 -5.07 115.64 124.65 2rqb s THR 996 Ca 0.98 -0.68 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 2rqb s THR 996 Cb -0.22 -0.95 0.06 0.00 0.01 0.00 0.00 72.50 71.40 2rqb s THR 996 CO 0.18 -0.37 0.03 -0.75 -0.69 0.00 0.00 174.62 173.01 2rqb s LYS 997 N -2.61 0.82 0.24 4.92 2.20 -1.26 -2.69 119.74 121.36 2rqb s LYS 997 Ca -0.05 -0.59 0.07 0.00 -0.36 0.00 0.00 55.97 55.04 2rqb s LYS 997 Cb -0.01 -2.17 -0.04 0.00 -1.51 0.00 0.00 37.83 34.11 2rqb s LYS 997 CO -0.04 -0.68 0.21 0.15 -0.36 0.00 0.00 175.35 174.64 2rqb s LYS 998 N 1.76 2.99 -0.22 4.03 3.01 0.15 -5.00 119.74 126.46 2rqb s LYS 998 Ca -0.01 -0.99 -0.03 0.00 -1.01 0.00 0.00 55.97 53.93 2rqb s LYS 998 Cb -0.17 -2.62 0.07 0.00 -1.01 0.00 0.00 37.83 34.10 2rqb s LYS 998 CO -0.10 0.41 0.05 -1.14 0.51 0.00 0.00 175.35 175.09 2rqb s GLN 999 N -3.78 0.62 0.42 1.68 0.74 -1.26 -0.98 119.66 117.10 2rqb s GLN 999 Ca 0.33 -0.51 0.03 0.00 0.05 0.00 0.00 55.36 55.25 2rqb s GLN 999 Cb -0.08 -2.04 0.08 0.00 1.10 0.00 0.00 33.01 32.07 2rqb s GLN 999 CO 0.25 -0.71 0.57 0.66 -0.55 0.00 0.00 175.29 175.52 2rqb n TYR 1000N 5.04 -2.86 0.00 1.67 4.02 -1.26 -5.01 117.16 118.76 2rqb n TYR 1000Ca -0.08 -1.21 0.00 0.00 -0.01 0.00 0.00 57.90 56.60 2rqb n TYR 1000Cb 0.46 -0.41 0.00 0.00 -0.02 0.00 0.00 39.34 39.37 2rqb n TYR 1000CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2rqb n LYS 1001N -2.00 0.00 -4.44 -0.72 2.85 -1.26 -4.21 118.16 108.37 2rqb n LYS 1001Ca 0.10 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.12 2rqb n LYS 1001Cb 0.37 -0.54 -0.10 0.00 -0.65 0.00 0.00 35.03 34.12 2rqb n LYS 1001CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2rqb s LYS 1002N -2.00 1.71 0.48 -1.58 3.01 -1.26 -0.92 119.74 119.18 2rqb s LYS 1002Ca 0.00 -1.69 0.31 0.00 -1.01 0.00 0.00 55.97 53.58 2rqb s LYS 1002Cb 0.00 -1.83 1.24 0.00 -1.01 0.00 0.00 37.83 36.23 2rqb s LYS 1002CO 0.00 0.35 1.91 -1.49 0.51 0.00 0.00 175.35 176.63 2rqb h TRP 1003N 2.42 0.00 -0.02 3.18 4.06 -1.96 -2.00 115.95 121.63 2rqb h TRP 1003Ca -0.42 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.42 2rqb h TRP 1003Cb 1.25 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.39 2rqb h TRP 1003CO 0.77 0.00 -0.52 -0.24 -3.56 0.00 0.00 178.44 174.89 2rqb h VAL 1004N 0.00 1.37 0.00 1.49 3.04 -1.98 -2.39 116.25 117.78 2rqb h VAL 1004Ca 0.00 -1.80 -0.03 0.00 -1.01 0.00 0.00 66.70 63.87 2rqb h VAL 1004Cb 0.50 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 31.73 2rqb h VAL 1004CO 0.00 0.52 -0.12 -0.33 -1.01 0.00 0.00 177.57 176.62 2rqb h GLU 1005N 0.04 0.00 -6.27 4.17 4.39 -1.77 -3.41 114.58 111.72 2rqb h GLU 1005Ca -0.00 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.13 2rqb h GLU 1005Cb 0.94 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.57 2rqb h GLU 1005CO 0.07 0.12 1.20 -1.17 -1.16 0.00 0.00 179.01 178.08 2rqb s LEU 1006N -7.01 3.75 0.00 1.33 2.96 -0.90 -4.83 118.68 113.98 2rqb s LEU 1006Ca -0.02 1.56 0.21 0.00 -0.22 0.00 0.00 54.13 55.66 2rqb s LEU 1006Cb 0.12 -3.53 1.28 0.00 0.50 0.00 0.00 46.19 44.57 2rqb s LEU 1006CO 0.58 -1.44 1.69 -0.81 -1.32 0.00 0.00 176.35 175.05 2rqb n PRO 1007N 7.98 0.75 -3.06 0.98 -0.04 -1.26 -4.73 135.00 135.62 2rqb n PRO 1007Ca 0.21 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.27 2rqb n PRO 1007Cb 0.46 -1.45 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 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 4.97 0.60 0.52 1.09 -1.26 -4.83 121.20 120.28 2rqb s ILE 1008Ca 0.32 1.45 -0.16 0.00 -1.10 0.00 0.00 60.65 61.16 2rqb s ILE 1008Cb 0.15 -4.04 -0.03 0.00 -1.06 0.00 0.00 42.46 37.48 2rqb s ILE 1008CO 0.25 0.30 1.08 -0.89 -0.10 0.00 0.00 174.94 175.57 2rqb s THR 1009N 0.50 3.61 0.27 2.92 2.01 -1.19 -4.97 115.64 118.79 2rqb s THR 1009Ca 0.37 0.80 0.05 0.00 0.31 0.00 0.00 61.69 63.21 2rqb s THR 1009Cb -0.18 -3.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.96 2rqb s THR 1009CO 0.19 -0.41 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.33 2rqb s PHE 1010N -2.32 1.81 0.00 4.92 0.40 -1.26 -4.45 117.98 117.07 2rqb s PHE 1010Ca 0.66 -0.83 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 2rqb s PHE 1010Cb -0.18 -1.07 0.00 0.00 0.51 0.00 0.00 43.02 42.28 2rqb s PHE 1010CO 0.36 0.11 0.00 -0.35 0.70 0.00 0.00 175.22 176.04 2rqb n PRO 1011N -0.54 0.53 -3.47 0.24 -0.04 -1.26 -5.02 135.00 125.44 2rqb n PRO 1011Ca -0.05 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.22 2rqb n PRO 1011Cb 0.64 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 33.98 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 1.65 -0.15 3.54 0.01 -1.26 -4.30 114.94 113.18 2rqb s ASN 1012Ca 0.00 -0.46 0.02 0.00 -0.71 0.00 0.00 52.86 51.71 2rqb s ASN 1012Cb 0.00 0.35 0.02 0.00 0.41 0.00 0.00 41.25 42.03 2rqb s ASN 1012CO 0.00 -0.35 -0.19 -0.22 -1.51 0.00 0.00 177.10 174.82 2rqb s LEU 1013N 2.32 1.99 0.32 0.60 0.20 -0.50 -4.91 118.68 118.69 2rqb s LEU 1013Ca 0.08 -0.57 0.08 0.00 0.69 0.00 0.00 54.13 54.40 2rqb s LEU 1013Cb -0.15 -1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 44.22 2rqb s LEU 1013CO -0.20 0.03 0.24 -1.81 -0.29 0.00 0.00 176.35 174.31 2rqb s ASP 1014N 1.08 5.20 -0.04 3.68 1.01 -1.26 -4.18 116.67 122.16 2rqb s ASP 1014Ca -0.02 -0.51 -0.12 0.00 0.71 0.00 0.00 52.55 52.62 2rqb s ASP 1014Cb -0.14 -1.00 -0.32 0.00 1.01 0.00 0.00 42.92 42.47 2rqb s ASP 1014CO -0.06 -0.27 0.71 1.88 0.21 0.00 0.00 175.17 177.63 2rqb h TYR 1015N 1.37 0.76 -1.94 4.23 0.05 -1.95 -3.32 116.97 116.18 2rqb h TYR 1015Ca -0.45 -0.56 0.56 0.00 0.05 0.00 0.00 58.73 58.33 2rqb h TYR 1015Cb 1.25 -0.03 -0.08 0.00 1.01 0.00 0.00 36.73 38.88 2rqb h TYR 1015CO 0.56 1.67 1.40 0.45 -1.05 0.00 0.00 178.16 181.18 2rqb n SER 1016N -3.61 0.00 -0.24 3.88 2.88 -1.26 0.68 113.62 115.96 2rqb n SER 1016Ca -0.24 0.98 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 2rqb n SER 1016Cb 1.08 -0.49 0.07 0.00 -0.75 0.00 0.00 64.21 64.13 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 -0.01 -4.96 -1.46 4.39 -2.00 -3.34 114.58 107.19 2rqb h GLU 1017Ca 0.92 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.98 2rqb h GLU 1017Cb 3.71 0.00 -0.20 0.00 -0.10 0.00 0.00 28.75 32.16 2rqb h GLU 1017CO -0.01 -0.01 -0.58 0.00 -1.16 0.00 0.00 179.01 177.25 2rqb n LEU 1020N 0.12 2.05 0.00 0.00 4.77 -1.26 -4.32 117.00 118.35 2rqb n LEU 1020Ca 0.30 0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.63 2rqb n LEU 1020Cb 0.44 -0.79 0.71 0.00 -2.33 0.00 0.00 43.42 41.45 2rqb n LEU 1020CO 0.33 0.61 0.90 0.49 -1.33 0.00 0.00 177.39 178.39 2rqb n PHE 1021N -4.00 0.00 -1.20 -1.77 3.72 -1.26 -3.72 117.46 109.22 2rqb n PHE 1021Ca -0.50 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 56.69 2rqb n PHE 1021Cb 0.88 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 39.37 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 -1.02 6.27 -0.10 4.37 2.88 -1.26 -3.87 113.62 120.90 2rqb n SER 1022Ca 0.18 -3.04 0.05 0.00 -1.33 0.00 0.00 58.87 54.73 2rqb n SER 1022Cb 0.09 -1.20 0.07 0.00 -0.75 0.00 0.00 64.21 62.42 2rqb n SER 1022CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2rqb n ASP 1023N 0.94 1.78 -3.31 -3.46 8.00 -1.24 -5.06 116.55 114.19 2rqb n ASP 1023Ca 0.40 -2.50 -0.30 0.00 0.71 0.00 0.00 54.79 53.11 2rqb n ASP 1023Cb 0.60 -0.25 0.28 0.00 -0.02 0.00 0.00 41.12 41.73 2rqb n ASP 1023CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2rqb n GLU 1024N -0.89 -4.35 0.00 -1.24 0.28 -1.25 -5.23 120.64 107.96 2rqb n GLU 1024Ca 0.08 -1.53 0.04 0.00 -0.16 0.00 0.00 57.16 55.60 2rqb n GLU 1024Cb 0.53 -1.80 0.26 0.00 1.43 0.00 0.00 31.44 31.86 2rqb n GLU 1024CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57