#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 4.65 0.27 1.61 0.04 -1.26 -5.05 135.00 135.26 2rqb s PRO 892 Ca 0.00 1.77 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2rqb s PRO 892 Cb 0.00 -3.21 0.02 0.00 0.04 0.00 0.00 34.50 31.35 2rqb s PRO 892 CO 0.00 0.22 0.14 1.28 0.04 0.00 0.00 177.00 178.67 2rqb n LEU 893 N 1.40 0.00 0.00 -3.56 4.77 -1.26 -5.15 117.00 113.20 2rqb n LEU 893 Ca -0.01 -1.48 0.00 0.00 -0.03 0.00 0.00 56.01 54.50 2rqb n LEU 893 Cb 0.45 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2rqb n LEU 893 CO 0.54 -0.35 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 2rqb n GLY 894 N 1.80 -0.48 2.65 -0.72 0.00 -1.26 -5.01 105.19 102.17 2rqb n GLY 894 Ca -0.04 -1.01 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 2rqb n GLY 894 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2rqb n SER 895 N 0.00 7.38 -2.76 1.61 2.88 -1.26 -4.55 113.62 116.93 2rqb n SER 895 Ca 0.00 -3.70 -0.20 0.00 -1.33 0.00 0.00 58.87 53.64 2rqb n SER 895 Cb 0.00 -1.07 -0.00 0.00 -0.75 0.00 0.00 64.21 62.39 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 -0.40 2.25 -0.60 0.66 4.02 -1.26 -4.71 117.16 117.13 2rqb n TYR 896 Ca 0.54 -3.33 0.00 0.00 -0.01 0.00 0.00 57.90 55.11 2rqb n TYR 896 Cb 0.40 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.41 2rqb n TYR 896 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 2rqb n LYS 897 N -0.16 1.17 -1.24 -0.72 2.85 -1.26 -4.81 118.16 113.99 2rqb n LYS 897 Ca 0.26 -0.89 -0.24 0.00 -1.05 0.00 0.00 58.31 56.39 2rqb n LYS 897 Cb 0.66 -0.70 -0.01 0.00 -0.65 0.00 0.00 35.03 34.33 2rqb n LYS 897 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2rqb n ASN 898 N -0.20 6.59 -4.00 -5.58 4.13 -1.26 -4.83 115.26 110.11 2rqb n ASN 898 Ca 0.00 -3.21 -0.28 0.00 1.68 0.00 0.00 54.58 52.77 2rqb n ASN 898 Cb 0.39 -1.14 -0.17 0.00 -1.54 0.00 0.00 39.78 37.33 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 0.09 2.38 0.00 6.41 3.84 -1.26 -4.27 114.94 122.12 2rqb s ASN 899 Ca 0.48 -0.40 0.22 0.00 0.21 0.00 0.00 52.86 53.37 2rqb s ASN 899 Cb 0.34 -1.02 1.30 0.00 -0.55 0.00 0.00 41.25 41.32 2rqb s ASN 899 CO -0.12 -0.04 1.70 -0.81 -2.79 0.00 0.00 177.10 175.04 2rqb n PRO 900 N 4.55 0.75 0.11 0.43 -0.04 -1.26 -2.41 135.00 137.12 2rqb n PRO 900 Ca -0.17 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.33 2rqb n PRO 900 Cb 0.51 -1.46 0.01 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.76 3.54 0.87 -1.94 -1.97 113.55 114.81 2rqb h SER 901 Ca 0.00 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.38 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 0.39 -1.35 -0.07 -0.53 0.00 0.00 176.83 175.27 2rqb h LEU 902 N 0.00 0.00 -9.96 2.23 3.38 -1.87 -3.46 115.31 105.63 2rqb h LEU 902 Ca -0.05 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.34 2rqb h LEU 902 Cb 1.34 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.06 2rqb h LEU 902 CO 0.04 0.64 -0.34 0.27 0.09 0.00 0.00 178.44 179.15 2rqb s ILE 903 N -2.88 5.20 0.08 1.22 -4.36 -1.23 -0.50 121.20 118.74 2rqb s ILE 903 Ca -0.02 -0.09 -0.04 0.00 -0.26 0.00 0.00 60.65 60.24 2rqb s ILE 903 Cb 0.09 -3.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.12 2rqb s ILE 903 CO 0.81 0.01 0.07 -0.89 0.24 0.00 0.00 174.94 175.17 2rqb s THR 904 N -1.69 0.17 -0.08 8.37 2.01 -1.05 -3.20 115.64 120.18 2rqb s THR 904 Ca 0.40 -1.60 -0.05 0.00 0.31 0.00 0.00 61.69 60.75 2rqb s THR 904 Cb -0.12 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 2rqb s THR 904 CO 0.26 -0.79 0.14 -0.36 -0.69 0.00 0.00 174.62 173.18 2rqb s PHE 905 N -3.92 3.55 0.31 4.92 0.08 0.81 -2.44 117.98 121.29 2rqb s PHE 905 Ca 0.09 0.45 0.04 0.00 0.12 0.00 0.00 56.93 57.62 2rqb s PHE 905 Cb 0.07 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.59 2rqb s PHE 905 CO -0.09 0.69 0.17 -0.51 -0.10 0.00 0.00 175.22 175.39 2rqb s LEU 906 N -1.30 1.70 -0.23 -0.37 1.43 -0.25 -1.93 118.68 117.73 2rqb s LEU 906 Ca 0.19 -1.59 -0.19 0.00 -1.03 0.00 0.00 54.13 51.50 2rqb s LEU 906 Cb -0.12 0.22 -0.02 0.00 0.03 0.00 0.00 46.19 46.29 2rqb s LEU 906 CO 0.08 -0.91 0.58 0.00 0.23 0.00 0.00 176.35 176.33 2rqb h LYS 908 N 7.75 -0.70 -0.53 0.00 3.64 -0.77 0.40 116.57 126.36 2rqb h LYS 908 Ca -0.30 0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.21 2rqb h LYS 908 Cb 1.14 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 33.02 2rqb h LYS 908 CO 0.75 -0.47 -0.48 -0.91 -2.27 0.00 0.00 179.45 176.07 2rqb h ASN 909 N -0.73 -1.65 0.00 4.20 4.21 -1.94 -3.40 115.58 116.27 2rqb h ASN 909 Ca -0.02 0.25 0.00 0.00 1.21 0.00 0.00 56.30 57.74 2rqb h ASN 909 Cb 0.71 0.72 0.00 0.00 -1.12 0.00 0.00 38.32 38.62 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 -4.75 0.00 2.88 0.13 -4.74 113.62 107.15 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 5.17 -0.33 2.46 -7.23 -1.26 -4.51 120.40 114.69 2rqb s VAL 912 Ca 0.00 0.85 -0.28 0.00 -1.81 0.00 0.00 61.98 60.74 2rqb s VAL 912 Cb 0.00 -3.75 -0.04 0.00 0.56 0.00 0.00 36.38 33.14 2rqb s VAL 912 CO 0.00 0.41 2.14 -0.22 -0.31 0.00 0.00 175.10 177.11 2rqb s LEU 913 N 0.14 3.43 -0.02 1.32 1.98 -1.26 -2.65 118.68 121.63 2rqb s LEU 913 Ca 0.23 1.46 -0.00 0.00 -2.89 0.00 0.00 54.13 52.93 2rqb s LEU 913 Cb -0.15 -3.22 -0.26 0.00 0.66 0.00 0.00 46.19 43.22 2rqb s LEU 913 CO 0.10 -2.14 0.76 0.00 -1.89 0.00 0.00 176.35 173.18 2rqb h ALA 914 N 15.57 0.40 -1.09 5.97 0.00 -1.72 -3.49 119.26 134.89 2rqb h ALA 914 Ca -0.34 -1.21 0.39 0.00 0.00 0.00 0.00 54.91 53.74 2rqb h ALA 914 Cb 1.22 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 19.25 2rqb h ALA 914 CO 1.04 1.26 0.98 0.00 0.00 0.00 0.00 179.25 182.53 2rqb s SER 916 N -3.02 6.03 0.35 0.00 0.15 -1.26 -0.13 113.70 115.80 2rqb s SER 916 Ca 0.15 -0.12 0.14 0.00 0.70 0.00 0.00 55.95 56.81 2rqb s SER 916 Cb 0.07 -1.43 0.63 0.00 -1.71 0.00 0.00 66.02 63.58 2rqb s SER 916 CO -0.06 -0.29 1.75 1.23 1.20 0.00 0.00 173.24 177.07 2rqb h GLY 917 N 1.03 0.00 1.62 9.45 0.00 -1.50 -2.51 103.07 111.17 2rqb h GLY 917 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2rqb h GLY 917 CO 0.56 0.00 -0.37 1.05 0.00 0.00 0.00 176.54 177.78 2rqb h GLU 918 N 0.00 0.00 -0.81 4.80 4.11 -1.61 -3.18 114.58 117.89 2rqb h GLU 918 Ca -0.00 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.34 2rqb h GLU 918 Cb 0.82 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 2rqb h GLU 918 CO 0.06 0.00 0.11 -0.25 0.07 0.00 0.00 179.01 178.99 2rqb n ASP 919 N -2.88 3.82 -4.44 3.06 8.00 -0.95 -4.87 116.55 118.29 2rqb n ASP 919 Ca 0.03 -2.69 -0.25 0.00 0.71 0.00 0.00 54.79 52.59 2rqb n ASP 919 Cb 0.53 -0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 40.88 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2rqb s ILE 920 N -2.08 2.38 0.24 0.53 -1.09 -1.20 -4.75 121.20 115.23 2rqb s ILE 920 Ca 0.34 -2.20 0.11 0.00 -2.23 0.00 0.00 60.65 56.67 2rqb s ILE 920 Cb 0.27 -2.19 -0.05 0.00 -1.58 0.00 0.00 42.46 38.91 2rqb s ILE 920 CO 0.09 -0.25 -0.14 -1.00 -1.23 0.00 0.00 174.94 172.41 2rqb s HIS 921 N -2.07 2.46 0.09 3.97 3.76 -1.20 -4.68 115.29 117.63 2rqb s HIS 921 Ca 0.25 -0.29 0.09 0.00 -0.15 0.00 0.00 55.06 54.96 2rqb s HIS 921 Cb -0.06 -1.12 -0.03 0.00 1.11 0.00 0.00 32.58 32.47 2rqb s HIS 921 CO 0.12 0.62 -0.22 0.08 -0.85 0.00 0.00 174.74 174.48 2rqb s VAL 922 N -2.15 1.83 -0.20 -0.90 1.01 -1.26 -3.10 120.40 115.62 2rqb s VAL 922 Ca 0.28 -1.52 0.01 0.00 0.00 0.00 0.00 61.98 60.75 2rqb s VAL 922 Cb -0.07 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.72 2rqb s VAL 922 CO 0.15 0.03 -0.09 -0.63 0.00 0.00 0.00 175.10 174.57 2rqb s ILE 923 N -1.06 1.57 -0.98 2.22 -1.09 -0.49 0.26 121.20 121.63 2rqb s ILE 923 Ca 0.08 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 2rqb s ILE 923 Cb -0.10 -1.69 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 2rqb s ILE 923 CO 0.04 0.12 0.00 -0.62 -1.23 0.00 0.00 174.94 173.25 2rqb n GLU 924 N 4.70 -2.09 -2.26 2.79 1.02 -1.26 -0.40 120.64 123.14 2rqb n GLU 924 Ca -0.14 0.55 -0.03 0.00 -0.02 0.00 0.00 57.16 57.52 2rqb n GLU 924 Cb 0.46 -5.06 -0.00 0.00 -0.02 0.00 0.00 31.44 26.82 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 -2.55 -2.52 0.00 3.49 4.01 -1.26 -4.60 118.16 114.72 2rqb n LYS 925 Ca -0.13 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 2rqb n LYS 925 Cb 0.55 -4.61 0.00 0.00 -0.51 0.00 0.00 35.03 30.46 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 0.92 -3.92 1.97 0.00 0.47 -4.99 117.12 109.21 2rqb n MET 926 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.37 2rqb n MET 926 Cb 0.46 -0.97 -0.16 0.00 0.00 0.00 0.00 33.22 32.55 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 -1.94 1.99 -0.51 3.17 3.76 -0.42 -5.02 115.29 116.32 2rqb s HIS 927 Ca 0.00 -1.35 -0.22 0.00 -0.15 0.00 0.00 55.06 53.33 2rqb s HIS 927 Cb 0.00 -1.44 0.04 0.00 1.11 0.00 0.00 32.58 32.30 2rqb s HIS 927 CO 0.00 -0.69 0.81 -1.01 -0.85 0.00 0.00 174.74 173.00 2rqb s HIS 928 N 1.53 2.92 -0.05 1.40 0.09 -1.26 -1.39 115.29 118.52 2rqb s HIS 928 Ca -0.01 -0.13 -0.02 0.00 -0.00 0.00 0.00 55.06 54.90 2rqb s HIS 928 Cb -0.16 -3.81 -0.04 0.00 -0.00 0.00 0.00 32.58 28.57 2rqb s HIS 928 CO -0.07 -1.17 0.04 0.14 -0.00 0.00 0.00 174.74 173.68 2rqb s VAL 929 N 3.40 4.56 -0.69 -0.90 -7.23 -1.18 -4.35 120.40 114.00 2rqb s VAL 929 Ca 0.26 -0.29 -0.17 0.00 -1.81 0.00 0.00 61.98 59.97 2rqb s VAL 929 Cb -0.14 -2.99 0.15 0.00 0.56 0.00 0.00 36.38 33.95 2rqb s VAL 929 CO 0.18 0.50 0.73 0.21 -0.31 0.00 0.00 175.10 176.41 2rqb s ASN 930 N -1.24 6.40 -0.17 4.85 3.84 -0.17 -3.20 114.94 125.25 2rqb s ASN 930 Ca 0.17 -1.95 -0.04 0.00 0.21 0.00 0.00 52.86 51.26 2rqb s ASN 930 Cb -0.12 -2.27 -0.06 0.00 -0.55 0.00 0.00 41.25 38.26 2rqb s ASN 930 CO 0.07 -0.90 2.86 0.23 -2.79 0.00 0.00 177.10 176.57 2rqb n MET 931 N 5.45 1.88 -3.80 0.43 2.81 -1.26 -4.07 117.12 118.56 2rqb n MET 931 Ca 0.00 -1.24 -0.36 0.00 -1.81 0.00 0.00 57.70 54.29 2rqb n MET 931 Cb 0.44 -1.79 -0.12 0.00 -0.71 0.00 0.00 33.22 31.05 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 -0.53 4.58 0.02 2.03 2.01 -1.26 -4.98 115.64 117.50 2rqb s THR 932 Ca 0.47 -0.09 -0.19 0.00 0.31 0.00 0.00 61.69 62.19 2rqb s THR 932 Cb 0.26 -3.13 -0.22 0.00 0.01 0.00 0.00 72.50 69.43 2rqb s THR 932 CO -0.06 0.35 1.14 1.55 -0.69 0.00 0.00 174.62 176.92 2rqb h PRO 933 N 7.88 0.44 -0.05 4.92 0.13 -1.99 -3.16 132.00 140.18 2rqb h PRO 933 Ca -0.37 -0.43 0.01 0.00 -0.87 0.00 0.00 66.00 64.34 2rqb h PRO 933 Cb 1.18 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.42 2rqb h PRO 933 CO 0.60 1.08 0.04 1.05 -0.23 0.00 0.00 178.00 180.54 2rqb h GLU 934 N -0.03 0.00 0.00 0.86 4.11 -1.98 0.16 114.58 117.70 2rqb h GLU 934 Ca -0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.37 2rqb h GLU 934 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2rqb h GLU 934 CO 0.11 0.00 0.00 0.35 0.07 0.00 0.00 179.01 179.54 2rqb h PHE 935 N 0.00 0.00 0.00 2.06 3.57 -1.83 -1.96 116.94 118.78 2rqb h PHE 935 Ca 0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.52 2rqb h PHE 935 Cb 0.09 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.83 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 -0.73 0.35 116.57 119.13 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 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 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 -2.71 2.09 -0.00 0.07 1.02 -0.74 -4.15 120.64 116.23 2rqb n GLU 937 Ca -0.00 -1.94 0.06 0.00 -0.02 0.00 0.00 57.16 55.25 2rqb n GLU 937 Cb 0.19 -1.39 -0.07 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.08 0.47 -4.25 -4.62 4.77 0.05 -4.98 117.00 109.51 2rqb n LEU 938 Ca 0.14 -0.41 -0.22 0.00 -0.03 0.00 0.00 56.01 55.49 2rqb n LEU 938 Cb 0.49 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 2rqb n LEU 938 CO 0.12 0.12 -0.50 -0.72 -1.33 0.00 0.00 177.39 175.08 2rqb s TYR 939 N -2.28 1.60 -0.03 -1.77 -0.85 -0.80 -4.15 117.35 109.08 2rqb s TYR 939 Ca 0.03 -0.43 0.05 0.00 -0.52 0.00 0.00 57.07 56.20 2rqb s TYR 939 Cb 0.09 -0.88 -0.01 0.00 0.38 0.00 0.00 41.96 41.54 2rqb s TYR 939 CO 0.50 0.16 -0.18 0.42 -1.52 0.00 0.00 175.55 174.93 2rqb s ILE 940 N -1.20 1.45 -0.10 -3.49 1.01 0.30 -4.85 121.20 114.32 2rqb s ILE 940 Ca 0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 60.65 59.82 2rqb s ILE 940 Cb -0.10 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 2rqb s ILE 940 CO 0.04 0.41 0.25 -0.69 0.00 0.00 0.00 174.94 174.95 2rqb s VAL 941 N -0.19 5.32 -0.06 2.92 1.01 -1.26 -0.68 120.40 127.46 2rqb s VAL 941 Ca 0.01 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.48 2rqb s VAL 941 Cb -0.09 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 2rqb s VAL 941 CO 0.01 0.54 -0.13 -0.60 0.00 0.00 0.00 175.10 174.92 2rqb s ARG 942 N -0.60 2.62 -0.39 2.72 6.06 -1.10 -5.00 118.95 123.27 2rqb s ARG 942 Ca 0.17 -0.68 -0.27 0.00 -2.50 0.00 0.00 55.73 52.45 2rqb s ARG 942 Cb -0.13 -2.43 -0.06 0.00 0.06 0.00 0.00 34.95 32.39 2rqb s ARG 942 CO 0.06 0.59 2.26 -2.00 -2.50 0.00 0.00 175.30 173.71 2rqb s GLU 943 N -0.63 2.59 -0.27 5.12 2.12 -1.26 -3.94 118.70 122.44 2rqb s GLU 943 Ca 0.09 1.59 -0.07 0.00 0.36 0.00 0.00 54.97 56.94 2rqb s GLU 943 Cb -0.11 -4.47 0.13 0.00 0.26 0.00 0.00 34.13 29.94 2rqb s GLU 943 CO 0.01 -2.72 0.56 1.21 -0.54 0.00 0.00 175.26 173.79 2rqb s ASN 944 N 10.09 -0.87 0.00 -1.70 2.47 -1.26 -5.00 114.94 118.66 2rqb s ASN 944 Ca 0.96 1.20 0.27 0.00 0.42 0.00 0.00 52.86 55.70 2rqb s ASN 944 Cb -0.23 1.96 0.80 0.00 -1.45 0.00 0.00 41.25 42.33 2rqb s ASN 944 CO 0.30 -0.24 1.61 2.29 -3.72 0.00 0.00 177.10 177.34 2rqb n LYS 945 N 5.43 0.12 0.16 0.43 2.85 -1.26 -3.54 118.16 122.35 2rqb n LYS 945 Ca -0.08 -0.05 0.11 0.00 -1.05 0.00 0.00 58.31 57.23 2rqb n LYS 945 Cb 0.50 -1.50 0.58 0.00 -0.65 0.00 0.00 35.03 33.96 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 -1.39 1.13 -0.05 0.58 0.00 -1.26 -3.03 120.51 116.49 2rqb n ALA 946 Ca 0.07 0.19 -0.07 0.00 0.00 0.00 0.00 53.44 53.63 2rqb n ALA 946 Cb 0.33 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.27 1.68 -4.79 0.00 7.99 -1.23 -5.00 117.00 113.38 2rqb n LEU 947 Ca -0.01 0.27 -0.36 0.00 -0.01 0.00 0.00 56.01 55.91 2rqb n LEU 947 Cb 0.06 -0.62 -0.05 0.00 -0.11 0.00 0.00 43.42 42.70 2rqb n LEU 947 CO 0.11 -0.37 0.69 0.00 -1.51 0.00 0.00 177.39 176.31 2rqb s GLN 948 N -2.63 4.28 0.36 3.23 1.03 -1.17 -4.98 119.66 119.78 2rqb s GLN 948 Ca -0.21 1.37 0.06 0.00 0.04 0.00 0.00 55.36 56.62 2rqb s GLN 948 Cb 0.03 -2.52 -0.03 0.00 0.03 0.00 0.00 33.01 30.53 2rqb s GLN 948 CO 0.31 -0.02 0.22 0.15 -2.54 0.00 0.00 175.29 173.41 2rqb s LYS 949 N -2.55 1.82 0.00 9.60 1.02 -1.26 -4.63 119.74 123.74 2rqb s LYS 949 Ca 0.57 -2.08 0.00 0.00 0.02 0.00 0.00 55.97 54.48 2rqb s LYS 949 Cb -0.18 -0.02 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 2rqb s LYS 949 CO 0.23 -0.59 0.00 1.63 -0.92 0.00 0.00 175.35 175.70 2rqb n LYS 950 N -0.73 0.00 -1.53 1.68 4.01 -1.26 -4.50 118.16 115.83 2rqb n LYS 950 Ca 0.02 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.53 2rqb n LYS 950 Cb 0.63 -0.01 -0.12 0.00 -0.51 0.00 0.00 35.03 35.02 2rqb n LYS 950 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2rqb n ALA 952 N 12.67 -2.57 -0.03 0.00 0.00 -1.26 -5.04 120.51 124.28 2rqb n ALA 952 Ca 0.54 -0.60 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 2rqb n ALA 952 Cb 0.28 0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 2rqb n ALA 952 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2rqb n ASP 953 N -0.85 2.68 -4.15 0.00 2.03 -1.26 -4.85 116.55 110.15 2rqb n ASP 953 Ca 0.03 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.95 2rqb n ASP 953 Cb 0.42 1.02 -0.09 0.00 -0.72 0.00 0.00 41.12 41.75 2rqb n ASP 953 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2rqb s TYR 954 N -2.42 3.49 0.15 -0.67 2.02 -1.26 -4.86 117.35 113.80 2rqb s TYR 954 Ca -0.04 -2.39 -0.31 0.00 -0.37 0.00 0.00 57.07 53.96 2rqb s TYR 954 Cb 0.04 -3.33 -0.09 0.00 -0.40 0.00 0.00 41.96 38.18 2rqb s TYR 954 CO 0.40 -0.92 1.45 -1.14 -1.57 0.00 0.00 175.55 173.77 2rqb s GLN 955 N 0.57 4.28 0.24 -0.62 2.00 -1.14 -4.68 119.66 120.31 2rqb s GLN 955 Ca 0.12 2.19 0.09 0.00 -2.00 0.00 0.00 55.36 55.76 2rqb s GLN 955 Cb -0.21 -3.20 -0.04 0.00 0.80 0.00 0.00 33.01 30.36 2rqb s GLN 955 CO -0.04 -0.48 0.01 0.42 -0.50 0.00 0.00 175.29 174.70 2rqb s ILE 956 N 0.96 3.57 -0.11 -2.34 -1.09 -1.26 0.18 121.20 121.11 2rqb s ILE 956 Ca 0.65 -1.74 0.18 0.00 -2.23 0.00 0.00 60.65 57.51 2rqb s ILE 956 Cb -0.40 -2.87 -0.27 0.00 -1.58 0.00 0.00 42.46 37.35 2rqb s ILE 956 CO 0.32 -0.29 0.23 0.59 -1.23 0.00 0.00 174.94 174.56 2rqb n ASN 957 N -0.67 0.44 0.00 3.58 5.03 -0.91 -4.68 115.26 118.05 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 1.39 0.00 0.00 -1.02 0.00 0.00 39.78 40.73 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 1.64 -0.47 3.10 7.41 0.00 -1.26 -4.69 105.19 110.93 2rqb n GLY 958 Ca -0.18 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.19 2rqb n GLY 958 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2rqb s GLU 959 N -1.42 2.10 -0.03 1.61 2.12 -1.25 -3.46 118.70 118.38 2rqb s GLU 959 Ca 0.00 -0.59 -0.23 0.00 0.36 0.00 0.00 54.97 54.51 2rqb s GLU 959 Cb 0.00 -1.69 -0.04 0.00 0.26 0.00 0.00 34.13 32.65 2rqb s GLU 959 CO 0.00 0.12 0.70 0.96 -0.54 0.00 0.00 175.26 176.50 2rqb s ILE 960 N 0.43 4.94 0.01 -3.70 -4.36 -1.20 -2.71 121.20 114.61 2rqb s ILE 960 Ca -0.13 1.47 0.03 0.00 -0.26 0.00 0.00 60.65 61.75 2rqb s ILE 960 Cb -0.16 -4.04 -0.01 0.00 1.25 0.00 0.00 42.46 39.50 2rqb s ILE 960 CO 0.05 0.31 -0.09 0.27 0.24 0.00 0.00 174.94 175.72 2rqb s ILE 961 N 0.42 0.66 0.65 8.37 -4.36 0.14 0.62 121.20 127.70 2rqb s ILE 961 Ca 0.37 -0.57 -0.11 0.00 -0.26 0.00 0.00 60.65 60.08 2rqb s ILE 961 Cb -0.19 -0.59 0.17 0.00 1.25 0.00 0.00 42.46 43.10 2rqb s ILE 961 CO 0.19 0.03 0.41 0.00 0.24 0.00 0.00 174.94 175.82 2rqb h LYS 963 N 0.00 -0.21 -0.96 0.00 1.79 -1.92 -1.85 116.57 113.42 2rqb h LYS 963 Ca -0.18 0.01 0.10 0.00 -2.18 0.00 0.00 60.65 58.40 2rqb h LYS 963 Cb 0.60 0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 31.22 2rqb h LYS 963 CO 0.11 -0.14 0.62 0.00 -1.08 0.00 0.00 179.45 178.96 2rqb n GLY 965 N -1.37 1.27 3.58 0.00 0.00 -0.69 -5.11 105.19 102.85 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 -0.02 3.84 -0.73 1.61 2.00 -1.26 -4.72 119.66 120.37 2rqb s GLN 966 Ca 0.00 -0.17 -0.27 0.00 -2.00 0.00 0.00 55.36 52.91 2rqb s GLN 966 Cb 0.00 -3.71 -0.15 0.00 0.80 0.00 0.00 33.01 29.95 2rqb s GLN 966 CO 0.00 -0.36 2.52 0.00 -0.50 0.00 0.00 175.29 176.95 2rqb n ALA 967 N 5.33 0.57 0.12 1.58 0.00 -1.26 -0.96 120.51 125.89 2rqb n ALA 967 Ca -0.09 -0.69 -0.03 0.00 0.00 0.00 0.00 53.44 52.63 2rqb n ALA 967 Cb 0.50 -2.80 0.15 0.00 0.00 0.00 0.00 19.45 17.30 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 15.86 0.12 0.00 0.00 6.55 -0.15 -3.43 115.95 134.90 2rqb h TRP 968 Ca -0.14 -0.05 0.00 0.00 0.95 0.00 0.00 58.89 59.65 2rqb h TRP 968 Cb 1.27 -0.02 0.00 0.00 -0.86 0.00 0.00 29.16 29.55 2rqb h TRP 968 CO 1.04 0.69 0.00 0.41 -1.05 0.00 0.00 178.44 179.53 2rqb n GLY 969 N 0.26 -0.44 3.23 1.49 0.00 -1.11 0.81 105.19 109.43 2rqb n GLY 969 Ca -0.02 0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 0.06 -0.76 2.61 -4.23 0.53 -3.28 115.64 110.57 2rqb s THR 970 Ca 0.00 -0.47 -0.16 0.00 -1.18 0.00 0.00 61.69 59.88 2rqb s THR 970 Cb 0.00 -0.60 0.17 0.00 1.34 0.00 0.00 72.50 73.41 2rqb s THR 970 CO 0.00 -0.26 0.78 -0.32 -0.54 0.00 0.00 174.62 174.28 2rqb s MET 971 N -1.27 3.42 0.35 3.99 1.75 -1.22 0.07 119.30 126.39 2rqb s MET 971 Ca -0.13 -2.03 -0.21 0.00 -1.25 0.00 0.00 55.69 52.07 2rqb s MET 971 Cb -0.05 -4.47 -0.10 0.00 2.84 0.00 0.00 34.83 33.05 2rqb s MET 971 CO 0.04 -1.42 0.88 -1.64 -0.65 0.00 0.00 175.02 172.22 2rqb s MET 972 N 1.25 4.27 0.05 4.11 -1.94 -0.76 -2.14 119.30 124.15 2rqb s MET 972 Ca 0.17 1.05 0.08 0.00 -1.71 0.00 0.00 55.69 55.28 2rqb s MET 972 Cb -0.15 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.19 2rqb s MET 972 CO -0.05 0.14 -0.22 0.08 -0.01 0.00 0.00 175.02 174.96 2rqb s VAL 973 N -1.92 1.77 -0.30 -6.03 1.01 0.48 -0.92 120.40 114.50 2rqb s VAL 973 Ca 0.55 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 2rqb s VAL 973 Cb -0.13 -1.54 0.10 0.00 0.00 0.00 0.00 36.38 34.81 2rqb s VAL 973 CO 0.18 0.20 0.10 -2.28 0.00 0.00 0.00 175.10 173.30 2rqb s HIS 974 N -0.85 1.31 -2.08 5.22 5.04 -1.14 -2.87 115.29 119.93 2rqb s HIS 974 Ca 0.08 -1.47 0.00 0.00 -1.54 0.00 0.00 55.06 52.13 2rqb s HIS 974 Cb -0.09 -1.47 0.00 0.00 0.04 0.00 0.00 32.58 31.06 2rqb s HIS 974 CO 0.02 -0.85 0.00 1.63 -2.34 0.00 0.00 174.74 173.20 2rqb n LYS 975 N 4.96 -1.41 0.00 2.88 5.02 -1.26 -0.45 118.16 127.90 2rqb n LYS 975 Ca -0.03 1.18 0.00 0.00 -2.02 0.00 0.00 58.31 57.44 2rqb n LYS 975 Cb 0.42 -5.55 0.00 0.00 -0.02 0.00 0.00 35.03 29.88 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 -0.57 0.98 3.88 0.72 0.00 -1.26 -5.06 105.19 103.88 2rqb n GLY 976 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 2.73 -0.33 0.99 2.96 0.40 -5.05 118.68 120.38 2rqb s LEU 977 Ca 0.00 1.03 0.03 0.00 -0.22 0.00 0.00 54.13 54.97 2rqb s LEU 977 Cb 0.00 -3.71 0.10 0.00 0.50 0.00 0.00 46.19 43.08 2rqb s LEU 977 CO 0.00 -1.60 0.05 -1.81 -1.32 0.00 0.00 176.35 171.67 2rqb s ASP 978 N -4.38 4.57 -0.38 3.68 -0.00 -1.26 -2.91 116.67 115.99 2rqb s ASP 978 Ca 0.60 -1.98 0.03 0.00 -0.00 0.00 0.00 52.55 51.19 2rqb s ASP 978 Cb -0.11 -1.46 0.11 0.00 -0.00 0.00 0.00 42.92 41.46 2rqb s ASP 978 CO 0.51 -0.37 0.13 -0.76 -0.00 0.00 0.00 175.17 174.68 2rqb s LEU 979 N 1.07 3.73 -0.25 1.23 1.02 -0.10 -4.88 118.68 120.51 2rqb s LEU 979 Ca 0.09 -2.27 -0.29 0.00 0.02 0.00 0.00 54.13 51.68 2rqb s LEU 979 Cb -0.19 -1.35 -0.01 0.00 0.02 0.00 0.00 46.19 44.67 2rqb s LEU 979 CO -0.11 -0.34 1.32 -2.16 0.02 0.00 0.00 176.35 175.08 2rqb s PRO 980 N 0.76 4.01 -0.49 1.29 0.04 -1.26 -1.82 135.00 137.53 2rqb s PRO 980 Ca 0.13 1.43 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 2rqb s PRO 980 Cb -0.21 -3.86 0.07 0.00 0.04 0.00 0.00 34.50 30.54 2rqb s PRO 980 CO -0.09 -1.00 0.49 0.00 0.04 0.00 0.00 177.00 176.43 2rqb s LEU 982 N 2.03 3.03 -0.11 0.00 1.02 -1.26 -0.35 118.68 123.04 2rqb s LEU 982 Ca 0.08 0.57 0.00 0.00 0.02 0.00 0.00 54.13 54.81 2rqb s LEU 982 Cb -0.22 -3.32 0.02 0.00 0.02 0.00 0.00 46.19 42.69 2rqb s LEU 982 CO 0.09 -1.32 -0.10 -0.54 0.02 0.00 0.00 176.35 174.49 2rqb s LYS 983 N -5.11 1.72 0.53 1.70 1.02 0.24 -4.87 119.74 114.97 2rqb s LYS 983 Ca 0.57 -0.35 0.35 0.00 0.02 0.00 0.00 55.97 56.56 2rqb s LYS 983 Cb -0.11 -1.64 1.92 0.00 -0.52 0.00 0.00 37.83 37.49 2rqb s LYS 983 CO 0.45 -0.19 2.09 0.82 -0.92 0.00 0.00 175.35 177.60 2rqb h ILE 984 N 6.10 0.00 0.00 2.17 2.04 -1.85 0.34 117.51 126.31 2rqb h ILE 984 Ca -0.31 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2rqb h ILE 984 Cb 1.15 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2rqb h ILE 984 CO 0.44 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.48 2rqb n ARG 985 N -2.75 0.08 0.00 2.37 1.85 -0.47 -2.23 116.66 115.51 2rqb n ARG 985 Ca -0.02 0.25 0.01 0.00 -1.00 0.00 0.00 57.85 57.09 2rqb n ARG 985 Cb 0.06 -1.63 -0.00 0.00 -1.05 0.00 0.00 32.46 29.84 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 -1.77 0.48 -4.25 2.89 3.02 0.11 -4.99 115.26 110.76 2rqb n ASN 986 Ca 0.04 -0.74 -0.24 0.00 -0.03 0.00 0.00 54.58 53.61 2rqb n ASN 986 Cb 0.24 0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 40.01 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 -0.61 0.09 -4.04 3.10 3.01 -0.81 -0.15 117.46 118.05 2rqb n PHE 987 Ca 0.01 -1.97 -0.08 0.00 1.01 0.00 0.00 57.45 56.42 2rqb n PHE 987 Cb 0.03 -0.32 -0.10 0.00 -0.01 0.00 0.00 39.48 39.08 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 -2.35 0.18 -0.18 -4.37 1.01 -0.36 -4.47 120.40 109.86 2rqb s VAL 988 Ca 0.13 -1.49 0.01 0.00 0.00 0.00 0.00 61.98 60.63 2rqb s VAL 988 Cb -0.01 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.28 2rqb s VAL 988 CO 0.08 -0.82 -0.18 -0.69 0.00 0.00 0.00 175.10 173.49 2rqb s VAL 989 N -3.13 1.94 -0.17 2.92 1.01 0.31 -1.09 120.40 122.21 2rqb s VAL 989 Ca -0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2rqb s VAL 989 Cb 0.02 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.61 2rqb s VAL 989 CO -0.07 0.49 -0.14 -0.69 0.00 0.00 0.00 175.10 174.69 2rqb s VAL 990 N 1.33 2.77 0.08 2.92 1.01 -1.02 0.45 120.40 127.93 2rqb s VAL 990 Ca 0.04 -0.73 -0.25 0.00 0.00 0.00 0.00 61.98 61.05 2rqb s VAL 990 Cb -0.13 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.00 2rqb s VAL 990 CO -0.12 0.50 0.76 -0.36 0.00 0.00 0.00 175.10 175.88 2rqb s PHE 991 N 0.94 3.79 -0.10 5.22 0.08 -1.13 -2.52 117.98 124.26 2rqb s PHE 991 Ca -0.03 1.51 -0.16 0.00 0.12 0.00 0.00 56.93 58.37 2rqb s PHE 991 Cb -0.15 -2.78 -0.27 0.00 -0.57 0.00 0.00 43.02 39.25 2rqb s PHE 991 CO -0.02 0.36 0.56 -0.22 -0.10 0.00 0.00 175.22 175.81 2rqb h LYS 992 N 5.20 0.24 -0.95 0.44 3.64 -1.12 -3.34 116.57 120.67 2rqb h LYS 992 Ca -0.45 -0.41 0.15 0.00 -1.27 0.00 0.00 60.65 58.67 2rqb h LYS 992 Cb 1.21 0.15 -0.16 0.00 -0.41 0.00 0.00 32.23 33.02 2rqb h LYS 992 CO 0.69 1.19 -0.38 -0.91 -2.27 0.00 0.00 179.45 177.77 2rqb h ASN 993 N -0.33 -1.40 -4.25 4.20 -0.26 -1.94 -3.38 115.58 108.22 2rqb h ASN 993 Ca -0.30 0.30 -0.58 0.00 -0.56 0.00 0.00 56.30 55.16 2rqb h ASN 993 Cb 1.74 0.74 -0.30 0.00 -1.06 0.00 0.00 38.32 39.43 2rqb h ASN 993 CO 0.06 -0.29 -0.85 0.21 -1.06 0.00 0.00 177.43 175.50 2rqb s ASN 994 N -5.33 2.29 -0.79 5.81 2.47 -1.26 -5.05 114.94 113.07 2rqb s ASN 994 Ca -0.14 -0.36 -0.25 0.00 0.42 0.00 0.00 52.86 52.53 2rqb s ASN 994 Cb 0.20 -0.37 -0.09 0.00 -1.45 0.00 0.00 41.25 39.55 2rqb s ASN 994 CO 0.71 0.22 2.19 -0.44 -3.72 0.00 0.00 177.10 176.06 2rqb s SER 995 N -0.32 4.52 0.17 -4.21 0.01 -1.26 -4.46 113.70 108.14 2rqb s SER 995 Ca 0.04 -0.11 -0.15 0.00 1.31 0.00 0.00 55.95 57.04 2rqb s SER 995 Cb -0.09 -2.55 0.02 0.00 0.21 0.00 0.00 66.02 63.62 2rqb s SER 995 CO 0.00 -3.24 0.44 -0.89 0.41 0.00 0.00 173.24 169.96 2rqb s THR 996 N 12.33 0.05 -0.16 1.44 2.01 -1.25 -5.08 115.64 124.98 2rqb s THR 996 Ca 0.82 -0.83 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 2rqb s THR 996 Cb -0.11 -1.49 0.05 0.00 0.01 0.00 0.00 72.50 70.96 2rqb s THR 996 CO 0.07 -0.22 0.01 -0.75 -0.69 0.00 0.00 174.62 173.04 2rqb s LYS 997 N -3.87 0.80 -0.10 4.92 2.20 -1.26 -2.84 119.74 119.58 2rqb s LYS 997 Ca 0.09 -0.30 -0.03 0.00 -0.36 0.00 0.00 55.97 55.36 2rqb s LYS 997 Cb 0.01 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.50 2rqb s LYS 997 CO -0.05 -0.51 0.03 0.15 -0.36 0.00 0.00 175.35 174.61 2rqb s LYS 998 N 1.84 3.18 -0.24 4.03 3.01 0.17 -5.00 119.74 126.73 2rqb s LYS 998 Ca 0.01 -0.36 0.02 0.00 -1.01 0.00 0.00 55.97 54.63 2rqb s LYS 998 Cb -0.15 -2.90 0.05 0.00 -1.01 0.00 0.00 37.83 33.81 2rqb s LYS 998 CO -0.07 0.66 -0.12 -1.14 0.51 0.00 0.00 175.35 175.19 2rqb s GLN 999 N -0.74 2.48 0.04 1.68 0.74 -1.26 -0.53 119.66 122.06 2rqb s GLN 999 Ca 0.12 -1.19 0.00 0.00 0.05 0.00 0.00 55.36 54.34 2rqb s GLN 999 Cb -0.12 -2.84 0.00 0.00 1.10 0.00 0.00 33.01 31.16 2rqb s GLN 999 CO 0.02 -0.47 0.04 0.66 -0.55 0.00 0.00 175.29 174.99 2rqb n TYR 1000N 4.51 -2.13 0.00 1.67 4.01 -1.26 -5.02 117.16 118.94 2rqb n TYR 1000Ca -0.16 -0.14 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 2rqb n TYR 1000Cb 0.44 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 -0.81 0.00 -4.33 -0.72 2.85 -1.26 -4.13 118.16 109.76 2rqb n LYS 1001Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 2rqb n LYS 1001Cb 0.04 -0.49 -0.12 0.00 -0.65 0.00 0.00 35.03 33.81 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 -1.79 1.70 0.27 -1.58 -0.14 -1.26 -1.36 119.74 115.57 2rqb s LYS 1002Ca 0.00 -1.23 -0.02 0.00 -1.36 0.00 0.00 55.97 53.36 2rqb s LYS 1002Cb 0.00 -2.06 0.35 0.00 -1.68 0.00 0.00 37.83 34.44 2rqb s LYS 1002CO 0.00 0.47 1.77 -1.49 -0.76 0.00 0.00 175.35 175.34 2rqb h TRP 1003N 3.72 0.84 -0.91 3.18 4.06 -1.97 -1.42 115.95 123.45 2rqb h TRP 1003Ca -0.50 -0.11 0.26 0.00 2.06 0.00 0.00 58.89 60.61 2rqb h TRP 1003Cb 1.17 -0.23 -0.04 0.00 -1.00 0.00 0.00 29.16 29.06 2rqb h TRP 1003CO 0.61 0.76 0.72 -0.24 -3.56 0.00 0.00 178.44 176.73 2rqb h VAL 1004N 0.75 0.42 -0.47 1.49 3.04 -2.00 1.01 116.25 120.48 2rqb h VAL 1004Ca 0.15 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.75 2rqb h VAL 1004Cb 0.42 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 2rqb h VAL 1004CO 0.02 0.00 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.19 2rqb h GLU 1005N 0.00 0.83 -5.99 4.17 4.39 -1.67 -3.42 114.58 112.88 2rqb h GLU 1005Ca 0.43 -0.26 -0.68 0.00 0.34 0.00 0.00 59.36 59.20 2rqb h GLU 1005Cb 1.87 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 30.42 2rqb h GLU 1005CO -0.00 0.87 1.41 -0.11 -1.16 0.00 0.00 179.01 180.01 2rqb n LEU 1006N -4.18 2.04 0.00 1.33 7.94 0.35 -4.75 117.00 119.73 2rqb n LEU 1006Ca 0.02 0.43 0.12 0.00 -1.11 0.00 0.00 56.01 55.47 2rqb n LEU 1006Cb 0.34 -1.24 0.70 0.00 0.53 0.00 0.00 43.42 43.76 2rqb n LEU 1006CO 0.43 -0.73 0.89 -0.81 -1.11 0.00 0.00 177.39 176.05 2rqb n PRO 1007N 8.14 0.75 -3.40 1.96 -0.04 -1.26 -4.72 135.00 136.43 2rqb n PRO 1007Ca 0.42 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.50 2rqb n PRO 1007Cb 0.21 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.11 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 5.11 0.56 0.52 1.09 -1.26 -4.89 121.20 120.33 2rqb s ILE 1008Ca 0.36 0.88 -0.19 0.00 -1.10 0.00 0.00 60.65 60.60 2rqb s ILE 1008Cb 0.16 -3.76 -0.05 0.00 -1.06 0.00 0.00 42.46 37.75 2rqb s ILE 1008CO 0.27 0.44 1.12 0.28 -0.10 0.00 0.00 174.94 176.95 2rqb s THR 1009N -0.13 3.23 0.28 2.92 -1.32 -1.26 -4.96 115.64 114.41 2rqb s THR 1009Ca 0.24 0.73 0.06 0.00 -1.21 0.00 0.00 61.69 61.51 2rqb s THR 1009Cb -0.16 -3.28 -0.06 0.00 -1.51 0.00 0.00 72.50 67.50 2rqb s THR 1009CO 0.11 -0.20 -0.04 -0.36 -2.21 0.00 0.00 174.62 171.93 2rqb s PHE 1010N -1.88 1.93 0.00 9.09 0.40 -1.26 -4.45 117.98 121.82 2rqb s PHE 1010Ca 0.71 -0.75 0.00 0.00 -0.60 0.00 0.00 56.93 56.30 2rqb s PHE 1010Cb -0.23 -1.13 0.00 0.00 0.51 0.00 0.00 43.02 42.17 2rqb s PHE 1010CO 0.29 0.22 0.00 -0.35 0.70 0.00 0.00 175.22 176.08 2rqb n PRO 1011N -0.59 0.14 -3.39 0.24 -0.04 -1.26 -5.04 135.00 125.06 2rqb n PRO 1011Ca -0.05 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.29 2rqb n PRO 1011Cb 0.64 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 0.70 -0.16 3.54 0.01 -1.26 -4.27 114.94 112.25 2rqb s ASN 1012Ca 0.00 -0.02 0.02 0.00 -0.71 0.00 0.00 52.86 52.14 2rqb s ASN 1012Cb 0.00 0.85 0.01 0.00 0.41 0.00 0.00 41.25 42.53 2rqb s ASN 1012CO 0.00 -0.32 -0.21 -0.22 -1.51 0.00 0.00 177.10 174.84 2rqb s LEU 1013N 2.47 2.13 0.34 0.60 0.20 0.14 -4.88 118.68 119.67 2rqb s LEU 1013Ca 0.11 -0.62 0.08 0.00 0.69 0.00 0.00 54.13 54.38 2rqb s LEU 1013Cb -0.15 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 2rqb s LEU 1013CO -0.17 0.04 0.25 -0.62 -0.29 0.00 0.00 176.35 175.56 2rqb s ASP 1014N 1.05 5.10 -0.13 3.68 -1.08 -1.26 -3.96 116.67 120.07 2rqb s ASP 1014Ca -0.01 -0.58 -0.12 0.00 -0.52 0.00 0.00 52.55 51.32 2rqb s ASP 1014Cb -0.14 -0.90 -0.25 0.00 -1.46 0.00 0.00 42.92 40.17 2rqb s ASP 1014CO -0.07 -0.34 0.39 1.88 0.52 0.00 0.00 175.17 177.55 2rqb h TYR 1015N 1.34 0.39 -1.01 -5.34 0.05 -1.95 -3.34 116.97 107.12 2rqb h TYR 1015Ca -0.44 -0.29 0.29 0.00 0.05 0.00 0.00 58.73 58.34 2rqb h TYR 1015Cb 1.25 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 38.94 2rqb h TYR 1015CO 0.56 1.68 0.99 1.03 -1.05 0.00 0.00 178.16 181.37 2rqb h SER 1016N -0.23 0.00 -0.94 3.88 0.87 -2.05 -0.41 113.55 114.68 2rqb h SER 1016Ca -0.38 0.00 0.16 0.00 -1.23 0.00 0.00 61.79 60.34 2rqb h SER 1016Cb 1.83 0.00 -0.16 0.00 -0.44 0.00 0.00 62.40 63.63 2rqb h SER 1016CO 0.02 0.00 -0.33 -0.62 -0.53 0.00 0.00 176.83 175.38 2rqb n GLU 1017N -3.57 -0.18 -3.16 2.24 1.02 -1.25 -4.39 120.64 111.35 2rqb n GLU 1017Ca 0.22 1.45 -0.19 0.00 -0.02 0.00 0.00 57.16 58.62 2rqb n GLU 1017Cb 1.32 -2.15 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 2rqb n GLU 1017CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2rqb h LEU 1020N 2.75 0.67 0.00 0.00 -0.00 -1.94 -3.25 115.31 113.55 2rqb h LEU 1020Ca 0.19 -0.93 0.00 0.00 -0.00 0.00 0.00 57.88 57.13 2rqb h LEU 1020Cb 0.89 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.33 2rqb h LEU 1020CO 0.77 1.77 0.00 0.49 -0.00 0.00 0.00 178.44 181.46 2rqb n PHE 1021N -3.64 0.00 -1.19 1.13 3.72 -1.26 -2.99 117.46 113.24 2rqb n PHE 1021Ca -0.23 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 56.97 2rqb n PHE 1021Cb 1.08 -0.50 -0.04 0.00 -0.94 0.00 0.00 39.48 39.08 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 -1.50 6.23 -0.07 4.37 2.88 -1.23 -4.02 113.62 120.28 2rqb n SER 1022Ca 0.02 -3.01 -0.07 0.00 -1.33 0.00 0.00 58.87 54.47 2rqb n SER 1022Cb 0.09 -1.20 -0.15 0.00 -0.75 0.00 0.00 64.21 62.19 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 1.00 0.16 -4.32 -3.46 4.64 -1.16 -4.97 116.55 108.44 2rqb n ASP 1023Ca 0.40 0.07 -0.29 0.00 -1.38 0.00 0.00 54.79 53.59 2rqb n ASP 1023Cb 0.61 0.91 0.24 0.00 -1.04 0.00 0.00 41.12 41.84 2rqb n ASP 1023CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 2rqb n GLU 1024N -2.75 -2.48 0.00 -0.67 1.02 -1.26 -5.23 120.64 109.27 2rqb n GLU 1024Ca -0.27 -0.70 0.15 0.00 -0.02 0.00 0.00 57.16 56.31 2rqb n GLU 1024Cb 1.07 -1.98 0.87 0.00 -0.02 0.00 0.00 31.44 31.38 2rqb n GLU 1024CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84