#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 4.56 0.31 1.61 0.04 -1.26 -5.04 135.00 135.22 2rqb s PRO 892 Ca 0.00 1.74 0.02 0.00 0.04 0.00 0.00 61.00 62.80 2rqb s PRO 892 Cb 0.00 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.28 2rqb s PRO 892 CO 0.00 0.01 0.16 1.28 0.04 0.00 0.00 177.00 178.49 2rqb n LEU 893 N 2.59 0.00 0.00 -3.56 4.77 -1.26 -5.15 117.00 114.39 2rqb n LEU 893 Ca 0.04 -1.73 0.00 0.00 -0.03 0.00 0.00 56.01 54.28 2rqb n LEU 893 Cb 0.46 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 2rqb n LEU 893 CO 0.54 -0.39 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 2rqb n GLY 894 N 1.25 3.17 2.57 -0.72 0.00 -1.26 -5.20 105.19 105.00 2rqb n GLY 894 Ca -0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -1.05 -3.20 1.61 7.64 -1.26 -5.17 113.62 112.20 2rqb n SER 895 Ca 0.00 -1.48 -0.09 0.00 1.01 0.00 0.00 58.87 58.32 2rqb n SER 895 Cb 0.00 1.69 0.08 0.00 -1.01 0.00 0.00 64.21 64.97 2rqb n SER 895 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2rqb n TYR 896 N -0.52 -1.95 -3.87 1.43 4.01 -1.26 -5.06 117.16 109.95 2rqb n TYR 896 Ca -0.00 -0.11 0.01 0.00 -0.16 0.00 0.00 57.90 57.64 2rqb n TYR 896 Cb 0.38 -0.60 0.01 0.00 -0.31 0.00 0.00 39.34 38.82 2rqb n TYR 896 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2rqb s LYS 897 N -2.76 0.63 -1.18 -0.72 2.20 -1.26 -4.98 119.74 111.67 2rqb s LYS 897 Ca 0.19 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.40 2rqb s LYS 897 Cb -0.03 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.47 2rqb s LYS 897 CO 0.16 -0.29 0.00 -1.71 -0.36 0.00 0.00 175.35 173.14 2rqb n ASN 898 N -0.95 -4.19 -4.25 1.43 2.85 -1.26 -5.00 115.26 103.90 2rqb n ASN 898 Ca -0.01 0.09 -0.33 0.00 -0.11 0.00 0.00 54.58 54.23 2rqb n ASN 898 Cb 0.60 -3.20 -0.16 0.00 1.24 0.00 0.00 39.78 38.26 2rqb n ASN 898 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2rqb s ASN 899 N -2.56 3.43 0.00 1.20 3.84 -1.26 -3.72 114.94 115.86 2rqb s ASN 899 Ca 0.00 -0.50 0.23 0.00 0.21 0.00 0.00 52.86 52.80 2rqb s ASN 899 Cb 0.00 -1.50 1.40 0.00 -0.55 0.00 0.00 41.25 40.60 2rqb s ASN 899 CO 0.00 0.12 1.77 -0.81 -2.79 0.00 0.00 177.10 175.39 2rqb n PRO 900 N 3.83 0.75 0.07 0.43 -0.04 -1.26 -2.47 135.00 136.31 2rqb n PRO 900 Ca -0.19 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.25 2rqb n PRO 900 Cb 0.52 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.43 2rqb n PRO 900 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2rqb h SER 901 N 0.00 0.00 1.14 3.54 0.87 -1.93 -2.38 113.55 114.79 2rqb h SER 901 Ca 0.00 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 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 0.73 -0.91 -0.07 -0.53 0.00 0.00 176.83 176.05 2rqb h LEU 902 N 0.00 0.00 -9.94 2.23 3.38 -1.87 -3.46 115.31 105.65 2rqb h LEU 902 Ca -0.09 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.32 2rqb h LEU 902 Cb 1.63 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 2rqb h LEU 902 CO 0.08 0.33 -0.50 0.27 0.09 0.00 0.00 178.44 178.71 2rqb s ILE 903 N -3.09 5.06 0.08 1.22 -4.36 -1.22 0.10 121.20 119.01 2rqb s ILE 903 Ca 0.01 -0.77 -0.09 0.00 -0.26 0.00 0.00 60.65 59.53 2rqb s ILE 903 Cb 0.08 -3.58 0.00 0.00 1.25 0.00 0.00 42.46 40.21 2rqb s ILE 903 CO 0.77 -0.07 0.20 -0.89 0.24 0.00 0.00 174.94 175.20 2rqb s THR 904 N -1.71 0.13 -0.13 8.37 2.01 -1.12 -3.48 115.64 119.71 2rqb s THR 904 Ca 0.33 -1.09 -0.07 0.00 0.31 0.00 0.00 61.69 61.17 2rqb s THR 904 Cb -0.11 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2rqb s THR 904 CO 0.27 -0.60 0.13 -0.36 -0.69 0.00 0.00 174.62 173.37 2rqb s PHE 905 N -3.62 3.56 0.38 4.92 0.08 0.11 -2.50 117.98 120.89 2rqb s PHE 905 Ca 0.03 0.49 0.04 0.00 0.12 0.00 0.00 56.93 57.61 2rqb s PHE 905 Cb 0.04 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2rqb s PHE 905 CO -0.10 0.66 0.16 -0.51 -0.10 0.00 0.00 175.22 175.32 2rqb s LEU 906 N -0.79 1.91 -0.18 -0.37 1.43 -0.21 -1.84 118.68 118.63 2rqb s LEU 906 Ca 0.14 -1.66 -0.19 0.00 -1.03 0.00 0.00 54.13 51.38 2rqb s LEU 906 Cb -0.12 0.04 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 2rqb s LEU 906 CO 0.03 -0.94 0.55 0.00 0.23 0.00 0.00 176.35 176.23 2rqb h LYS 908 N 7.30 -0.95 -0.43 0.00 3.64 -1.33 0.32 116.57 125.12 2rqb h LYS 908 Ca -0.35 0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.16 2rqb h LYS 908 Cb 1.16 0.22 -0.09 0.00 -0.41 0.00 0.00 32.23 33.10 2rqb h LYS 908 CO 0.75 -0.63 -0.48 -0.91 -2.27 0.00 0.00 179.45 175.91 2rqb h ASN 909 N -0.99 -1.60 0.00 4.20 4.21 -1.94 -3.40 115.58 116.06 2rqb h ASN 909 Ca -0.06 0.23 0.00 0.00 1.21 0.00 0.00 56.30 57.68 2rqb h ASN 909 Cb 0.86 0.68 0.00 0.00 -1.12 0.00 0.00 38.32 38.74 2rqb h ASN 909 CO -0.06 -0.38 0.00 0.00 -1.29 0.00 0.00 177.43 175.70 2rqb n SER 911 N 0.00 0.00 -4.80 0.00 7.64 0.11 -4.76 113.62 111.81 2rqb n SER 911 Ca 0.00 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.50 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 5.12 -0.39 0.44 -7.23 -1.26 -4.53 120.40 112.54 2rqb s VAL 912 Ca 0.00 0.79 -0.28 0.00 -1.81 0.00 0.00 61.98 60.68 2rqb s VAL 912 Cb 0.00 -3.70 -0.03 0.00 0.56 0.00 0.00 36.38 33.21 2rqb s VAL 912 CO 0.00 0.51 1.97 -0.22 -0.31 0.00 0.00 175.10 177.06 2rqb s LEU 913 N -0.58 3.43 -0.05 1.32 1.98 -1.26 -2.51 118.68 121.01 2rqb s LEU 913 Ca 0.23 1.17 0.02 0.00 -2.89 0.00 0.00 54.13 52.65 2rqb s LEU 913 Cb -0.16 -3.15 -0.25 0.00 0.66 0.00 0.00 46.19 43.28 2rqb s LEU 913 CO 0.11 -2.07 0.64 0.00 -1.89 0.00 0.00 176.35 173.14 2rqb h ALA 914 N 14.68 0.51 -1.37 5.97 0.00 -1.70 -3.49 119.26 133.86 2rqb h ALA 914 Ca -0.32 -1.33 0.28 0.00 0.00 0.00 0.00 54.91 53.55 2rqb h ALA 914 Cb 1.19 0.49 -0.18 0.00 0.00 0.00 0.00 17.79 19.29 2rqb h ALA 914 CO 1.08 1.36 0.85 0.00 0.00 0.00 0.00 179.25 182.55 2rqb s SER 916 N -2.27 5.13 0.20 0.00 0.01 -1.26 0.06 113.70 115.57 2rqb s SER 916 Ca 0.11 -0.37 -0.11 0.00 1.31 0.00 0.00 55.95 56.89 2rqb s SER 916 Cb -0.00 -1.19 0.27 0.00 0.21 0.00 0.00 66.02 65.30 2rqb s SER 916 CO -0.04 0.01 1.71 1.23 0.41 0.00 0.00 173.24 176.56 2rqb h GLY 917 N 1.92 0.73 2.00 3.44 0.00 -1.56 0.27 103.07 109.87 2rqb h GLY 917 Ca -0.47 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 46.82 2rqb h GLY 917 CO 0.61 -0.09 -0.04 1.05 0.00 0.00 0.00 176.54 178.06 2rqb h GLU 918 N 0.27 0.00 -1.04 4.80 -0.00 -1.70 0.11 114.58 117.02 2rqb h GLU 918 Ca 0.30 0.00 -0.38 0.00 -0.00 0.00 0.00 59.36 59.28 2rqb h GLU 918 Cb 0.42 0.00 -0.21 0.00 -0.00 0.00 0.00 28.75 28.96 2rqb h GLU 918 CO -0.37 0.04 0.48 -3.47 -0.00 0.00 0.00 179.01 175.69 2rqb n ASP 919 N -4.34 4.01 -4.06 3.06 -0.08 0.90 -4.86 116.55 111.19 2rqb n ASP 919 Ca -0.03 -3.16 -0.17 0.00 -1.51 0.00 0.00 54.79 49.92 2rqb n ASP 919 Cb 0.12 -0.78 -0.13 0.00 2.34 0.00 0.00 41.12 42.67 2rqb n ASP 919 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2rqb s ILE 920 N -2.46 0.73 0.50 5.18 -1.09 0.03 -4.62 121.20 119.47 2rqb s ILE 920 Ca 0.41 -0.77 0.06 0.00 -2.23 0.00 0.00 60.65 58.12 2rqb s ILE 920 Cb 0.34 -0.69 0.02 0.00 -1.58 0.00 0.00 42.46 40.55 2rqb s ILE 920 CO 0.07 -0.06 0.39 -1.00 -1.23 0.00 0.00 174.94 173.10 2rqb s HIS 921 N -0.76 2.00 0.07 3.97 3.76 -1.15 -4.75 115.29 118.43 2rqb s HIS 921 Ca -0.02 -0.72 0.01 0.00 -0.15 0.00 0.00 55.06 54.19 2rqb s HIS 921 Cb -0.07 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.59 2rqb s HIS 921 CO 0.00 -0.34 -0.06 0.08 -0.85 0.00 0.00 174.74 173.57 2rqb s VAL 922 N -2.67 0.54 -0.12 -0.90 1.01 -1.26 -3.64 120.40 113.34 2rqb s VAL 922 Ca 0.40 -1.65 -0.02 0.00 0.00 0.00 0.00 61.98 60.71 2rqb s VAL 922 Cb -0.02 -1.32 0.04 0.00 0.00 0.00 0.00 36.38 35.09 2rqb s VAL 922 CO 0.24 -0.76 0.00 -0.63 0.00 0.00 0.00 175.10 173.95 2rqb s ILE 923 N -3.02 0.53 -1.16 2.22 -1.09 0.16 -0.45 121.20 118.38 2rqb s ILE 923 Ca 0.04 -0.19 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 2rqb s ILE 923 Cb 0.01 -0.80 0.00 0.00 -1.58 0.00 0.00 42.46 40.10 2rqb s ILE 923 CO -0.04 0.10 0.00 -0.62 -1.23 0.00 0.00 174.94 173.15 2rqb n GLU 924 N 5.08 -1.75 -2.19 2.79 -0.58 -1.26 -0.37 120.64 122.36 2rqb n GLU 924 Ca -0.08 0.65 -0.07 0.00 -0.42 0.00 0.00 57.16 57.24 2rqb n GLU 924 Cb 0.49 -5.06 -0.01 0.00 -0.57 0.00 0.00 31.44 26.29 2rqb n GLU 924 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2rqb n LYS 925 N -2.29 -2.27 0.00 3.49 4.01 -1.26 -4.64 118.16 115.19 2rqb n LYS 925 Ca -0.13 0.35 0.00 0.00 -0.51 0.00 0.00 58.31 58.01 2rqb n LYS 925 Cb 0.50 -4.81 0.00 0.00 -0.51 0.00 0.00 35.03 30.21 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 0.64 -5.15 1.97 0.00 0.50 -5.03 117.12 107.65 2rqb n MET 926 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.30 2rqb n MET 926 Cb 0.49 -0.95 -0.16 0.00 0.00 0.00 0.00 33.22 32.59 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 -1.91 2.56 -0.47 3.17 3.76 -0.41 -5.00 115.29 116.98 2rqb s HIS 927 Ca 0.00 -0.80 -0.11 0.00 -0.15 0.00 0.00 55.06 54.00 2rqb s HIS 927 Cb 0.00 -1.68 0.11 0.00 1.11 0.00 0.00 32.58 32.12 2rqb s HIS 927 CO 0.00 -0.27 0.36 -1.58 -0.85 0.00 0.00 174.74 172.40 2rqb s HIS 928 N 0.07 3.35 0.00 1.40 2.46 -1.26 -0.67 115.29 120.64 2rqb s HIS 928 Ca -0.09 -1.59 0.01 0.00 0.47 0.00 0.00 55.06 53.85 2rqb s HIS 928 Cb -0.15 -3.39 -0.04 0.00 -0.13 0.00 0.00 32.58 28.87 2rqb s HIS 928 CO 0.06 -0.94 0.05 0.14 -2.47 0.00 0.00 174.74 171.58 2rqb s VAL 929 N 1.45 4.51 -0.62 0.89 -7.23 -1.24 -4.01 120.40 114.15 2rqb s VAL 929 Ca 0.04 -0.51 -0.13 0.00 -1.81 0.00 0.00 61.98 59.58 2rqb s VAL 929 Cb -0.26 -3.06 0.16 0.00 0.56 0.00 0.00 36.38 33.78 2rqb s VAL 929 CO 0.01 0.34 0.55 0.21 -0.31 0.00 0.00 175.10 175.90 2rqb s ASN 930 N -1.73 6.19 -0.10 4.85 2.47 -0.07 -2.94 114.94 123.61 2rqb s ASN 930 Ca 0.22 -2.20 -0.04 0.00 0.42 0.00 0.00 52.86 51.26 2rqb s ASN 930 Cb -0.12 -2.14 -0.13 0.00 -1.45 0.00 0.00 41.25 37.41 2rqb s ASN 930 CO 0.13 -0.69 3.08 0.23 -3.72 0.00 0.00 177.10 176.13 2rqb n MET 931 N 4.62 1.88 -4.16 0.43 2.81 -1.26 -4.06 117.12 117.37 2rqb n MET 931 Ca -0.02 -1.09 -0.34 0.00 -1.81 0.00 0.00 57.70 54.43 2rqb n MET 931 Cb 0.42 -1.82 -0.12 0.00 -0.71 0.00 0.00 33.22 30.99 2rqb n MET 931 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2rqb s THR 932 N 0.03 4.09 0.02 2.03 2.01 -1.26 -5.00 115.64 117.56 2rqb s THR 932 Ca 0.51 -0.27 -0.19 0.00 0.31 0.00 0.00 61.69 62.04 2rqb s THR 932 Cb 0.27 -2.83 -0.22 0.00 0.01 0.00 0.00 72.50 69.73 2rqb s THR 932 CO -0.04 0.45 1.14 1.55 -0.69 0.00 0.00 174.62 177.03 2rqb h PRO 933 N 7.14 0.44 -0.62 4.92 0.13 -1.99 -3.19 132.00 138.84 2rqb h PRO 933 Ca -0.34 -0.43 0.13 0.00 -0.87 0.00 0.00 66.00 64.48 2rqb h PRO 933 Cb 1.18 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2rqb h PRO 933 CO 0.63 1.08 0.42 1.05 -0.23 0.00 0.00 178.00 180.95 2rqb h GLU 934 N -0.03 0.29 -0.02 0.86 4.11 -1.98 0.30 114.58 118.10 2rqb h GLU 934 Ca -0.06 -0.02 0.01 0.00 0.07 0.00 0.00 59.36 59.36 2rqb h GLU 934 Cb 1.26 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2rqb h GLU 934 CO 0.11 0.19 0.03 0.35 0.07 0.00 0.00 179.01 179.76 2rqb h PHE 935 N 0.29 0.00 0.00 2.06 3.57 -1.84 0.17 116.94 121.20 2rqb h PHE 935 Ca 0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2rqb h PHE 935 Cb 0.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.49 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 -0.20 1.11 2.10 -0.53 0.29 116.57 119.35 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 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 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 -2.47 1.91 -0.00 0.07 -0.58 0.60 -4.21 120.64 115.96 2rqb n GLU 937 Ca -0.00 -1.83 0.04 0.00 -0.42 0.00 0.00 57.16 54.95 2rqb n GLU 937 Cb 0.12 -1.37 -0.06 0.00 -0.57 0.00 0.00 31.44 29.56 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 1.05 0.07 -4.31 -4.62 4.77 0.80 -5.01 117.00 109.74 2rqb n LEU 938 Ca 0.13 -0.09 -0.26 0.00 -0.03 0.00 0.00 56.01 55.77 2rqb n LEU 938 Cb 0.47 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.44 2rqb n LEU 938 CO 0.12 0.02 -0.53 -0.72 -1.33 0.00 0.00 177.39 174.94 2rqb s TYR 939 N -2.44 1.94 -0.03 -1.77 -0.85 0.07 -4.06 117.35 110.21 2rqb s TYR 939 Ca -0.02 -0.41 0.05 0.00 -0.52 0.00 0.00 57.07 56.17 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 0.35 0.24 -0.17 0.42 -1.52 0.00 0.00 175.55 174.86 2rqb s ILE 940 N -1.11 1.42 -0.19 -3.49 1.01 0.69 -4.77 121.20 114.77 2rqb s ILE 940 Ca 0.09 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 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 0.14 -0.69 0.00 0.00 0.00 174.94 174.85 2rqb s VAL 941 N -0.14 5.41 -0.24 2.92 1.01 -1.26 -0.55 120.40 127.56 2rqb s VAL 941 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.14 2rqb s VAL 941 Cb -0.10 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2rqb s VAL 941 CO 0.01 0.46 0.06 -0.13 0.00 0.00 0.00 175.10 175.50 2rqb s ARG 942 N 0.18 3.67 -0.64 2.72 3.00 -1.10 -4.99 118.95 121.80 2rqb s ARG 942 Ca 0.10 -0.47 -0.34 0.00 0.00 0.00 0.00 55.73 55.02 2rqb s ARG 942 Cb -0.11 -3.29 -0.16 0.00 0.00 0.00 0.00 34.95 31.39 2rqb s ARG 942 CO -0.01 -0.13 2.41 -1.91 0.00 0.00 0.00 175.30 175.65 2rqb n GLU 943 N 4.75 0.48 -3.65 3.54 2.13 -1.26 -4.16 120.64 122.47 2rqb n GLU 943 Ca -0.16 0.08 -0.08 0.00 0.66 0.00 0.00 57.16 57.66 2rqb n GLU 943 Cb 0.51 -2.11 -0.08 0.00 0.27 0.00 0.00 31.44 30.04 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 8.56 -0.86 0.00 4.31 2.47 -1.26 -5.01 114.94 123.15 2rqb s ASN 944 Ca 1.19 1.39 0.23 0.00 0.42 0.00 0.00 52.86 56.09 2rqb s ASN 944 Cb -1.00 1.29 0.15 0.00 -1.45 0.00 0.00 41.25 40.24 2rqb s ASN 944 CO 0.48 -0.23 1.18 2.29 -3.72 0.00 0.00 177.10 177.10 2rqb n LYS 945 N 4.36 0.57 0.10 0.43 2.85 -1.26 -3.98 118.16 121.23 2rqb n LYS 945 Ca -0.20 -0.44 0.09 0.00 -1.05 0.00 0.00 58.31 56.71 2rqb n LYS 945 Cb 0.58 -1.49 0.41 0.00 -0.65 0.00 0.00 35.03 33.87 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 -0.83 1.30 -0.08 0.58 0.00 -1.26 -3.01 120.51 117.20 2rqb n ALA 946 Ca 0.08 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 2rqb n ALA 946 Cb 0.38 -1.26 -0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 -2.00 1.85 -4.79 0.00 7.99 -1.26 -4.98 117.00 113.81 2rqb n LEU 947 Ca 0.01 0.31 -0.36 0.00 -0.01 0.00 0.00 56.01 55.96 2rqb n LEU 947 Cb 0.10 -0.71 -0.06 0.00 -0.11 0.00 0.00 43.42 42.64 2rqb n LEU 947 CO 0.11 -0.21 0.67 0.00 -1.51 0.00 0.00 177.39 176.46 2rqb s GLN 948 N -2.78 4.38 0.39 3.23 1.03 -1.16 -4.96 119.66 119.79 2rqb s GLN 948 Ca -0.27 1.31 0.05 0.00 0.04 0.00 0.00 55.36 56.49 2rqb s GLN 948 Cb 0.05 -2.56 -0.02 0.00 0.03 0.00 0.00 33.01 30.50 2rqb s GLN 948 CO 0.40 0.09 0.20 0.15 -2.54 0.00 0.00 175.29 173.59 2rqb s LYS 949 N -2.47 1.90 0.00 9.60 -0.14 -1.26 -4.71 119.74 122.66 2rqb s LYS 949 Ca 0.55 -2.15 0.00 0.00 -1.36 0.00 0.00 55.97 53.01 2rqb s LYS 949 Cb -0.17 -0.22 0.00 0.00 -1.68 0.00 0.00 37.83 35.77 2rqb s LYS 949 CO 0.22 -0.58 0.00 1.63 -0.76 0.00 0.00 175.35 175.86 2rqb n LYS 950 N -0.83 0.00 -1.53 1.68 4.01 -1.26 -4.58 118.16 115.66 2rqb n LYS 950 Ca -0.01 0.01 -0.30 0.00 -0.51 0.00 0.00 58.31 57.50 2rqb n LYS 950 Cb 0.64 -0.14 -0.12 0.00 -0.51 0.00 0.00 35.03 34.90 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 12.48 -3.18 -0.03 0.00 0.00 -1.26 -5.04 120.51 123.48 2rqb n ALA 952 Ca 0.55 -0.73 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 2rqb n ALA 952 Cb 0.27 0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.00 2.74 -4.09 0.00 -0.08 -1.26 -4.86 116.55 108.00 2rqb n ASP 953 Ca 0.04 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 52.96 2rqb n ASP 953 Cb 0.52 0.95 -0.12 0.00 2.34 0.00 0.00 41.12 44.81 2rqb n ASP 953 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 2rqb s TYR 954 N -2.36 3.54 0.15 -0.67 2.02 -1.26 -4.92 117.35 113.85 2rqb s TYR 954 Ca -0.04 -2.62 -0.31 0.00 -0.37 0.00 0.00 57.07 53.73 2rqb s TYR 954 Cb 0.04 -3.16 -0.09 0.00 -0.40 0.00 0.00 41.96 38.35 2rqb s TYR 954 CO 0.39 -0.92 1.45 -1.14 -1.57 0.00 0.00 175.55 173.75 2rqb s GLN 955 N 0.72 4.28 0.24 -0.62 -0.44 -1.21 -4.63 119.66 118.00 2rqb s GLN 955 Ca 0.11 2.20 0.06 0.00 -2.50 0.00 0.00 55.36 55.23 2rqb s GLN 955 Cb -0.22 -3.20 -0.03 0.00 -1.64 0.00 0.00 33.01 27.92 2rqb s GLN 955 CO -0.04 -0.48 0.24 0.42 0.50 0.00 0.00 175.29 175.93 2rqb s ILE 956 N 0.93 4.71 -0.12 -2.34 -1.09 -1.26 0.19 121.20 122.23 2rqb s ILE 956 Ca 0.65 -1.24 0.18 0.00 -2.23 0.00 0.00 60.65 58.01 2rqb s ILE 956 Cb -0.40 -3.54 -0.26 0.00 -1.58 0.00 0.00 42.46 36.69 2rqb s ILE 956 CO 0.32 -0.32 0.22 0.59 -1.23 0.00 0.00 174.94 174.52 2rqb n ASN 957 N -1.16 0.50 0.00 3.58 5.03 0.06 -4.71 115.26 118.56 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 0.57 1.34 0.00 0.00 -1.02 0.00 0.00 39.78 40.67 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 1.67 -0.48 3.09 7.41 0.00 -1.26 -4.63 105.19 110.98 2rqb n GLY 958 Ca -0.19 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 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 -1.56 2.18 -0.08 1.61 2.12 -1.26 -3.19 118.70 118.52 2rqb s GLU 959 Ca 0.00 -0.57 -0.21 0.00 0.36 0.00 0.00 54.97 54.55 2rqb s GLU 959 Cb 0.00 -1.75 -0.04 0.00 0.26 0.00 0.00 34.13 32.60 2rqb s GLU 959 CO 0.00 0.06 0.59 0.96 -0.54 0.00 0.00 175.26 176.33 2rqb s ILE 960 N 0.62 5.10 0.07 -3.70 -4.36 -1.15 -2.70 121.20 115.08 2rqb s ILE 960 Ca -0.15 1.21 0.05 0.00 -0.26 0.00 0.00 60.65 61.51 2rqb s ILE 960 Cb -0.16 -3.93 -0.03 0.00 1.25 0.00 0.00 42.46 39.59 2rqb s ILE 960 CO 0.04 0.30 -0.14 0.27 0.24 0.00 0.00 174.94 175.65 2rqb s ILE 961 N 0.64 1.09 0.59 8.37 -4.36 0.29 0.02 121.20 127.84 2rqb s ILE 961 Ca 0.32 -1.25 -0.10 0.00 -0.26 0.00 0.00 60.65 59.36 2rqb s ILE 961 Cb -0.17 -1.04 0.15 0.00 1.25 0.00 0.00 42.46 42.65 2rqb s ILE 961 CO 0.15 -0.20 0.48 0.00 0.24 0.00 0.00 174.94 175.61 2rqb h LYS 963 N 0.00 -0.21 -0.79 0.00 1.79 -1.92 -1.89 116.57 113.54 2rqb h LYS 963 Ca -0.19 0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.41 2rqb h LYS 963 Cb 0.59 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.23 2rqb h LYS 963 CO 0.12 -0.09 0.52 0.00 -1.08 0.00 0.00 179.45 178.92 2rqb n GLY 965 N -1.46 1.44 3.65 0.00 0.00 -0.71 -5.11 105.19 103.00 2rqb n GLY 965 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 2rqb n GLY 965 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2rqb s GLN 966 N -0.13 4.15 -0.74 1.61 2.00 -1.26 -4.73 119.66 120.57 2rqb s GLN 966 Ca 0.00 0.30 -0.24 0.00 -2.00 0.00 0.00 55.36 53.42 2rqb s GLN 966 Cb 0.00 -3.58 -0.15 0.00 0.80 0.00 0.00 33.01 30.08 2rqb s GLN 966 CO 0.00 -0.16 2.42 0.00 -0.50 0.00 0.00 175.29 177.06 2rqb n ALA 967 N 4.86 0.60 -0.09 1.58 0.00 -1.26 -0.95 120.51 125.25 2rqb n ALA 967 Ca -0.06 -0.99 -0.13 0.00 0.00 0.00 0.00 53.44 52.25 2rqb n ALA 967 Cb 0.51 -3.00 -0.04 0.00 0.00 0.00 0.00 19.45 16.92 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 14.96 0.85 0.00 0.00 6.55 -0.73 -3.43 115.95 134.15 2rqb h TRP 968 Ca -0.09 -0.25 0.00 0.00 0.95 0.00 0.00 58.89 59.49 2rqb h TRP 968 Cb 1.16 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 29.28 2rqb h TRP 968 CO 1.11 1.00 0.00 0.41 -1.05 0.00 0.00 178.44 179.91 2rqb n GLY 969 N 0.16 -0.32 3.40 1.49 0.00 -0.93 -0.36 105.19 108.63 2rqb n GLY 969 Ca -0.04 0.38 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 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 0.00 -0.44 2.61 -4.23 0.10 -2.94 115.64 110.73 2rqb s THR 970 Ca 0.00 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 2rqb s THR 970 Cb 0.00 -2.35 0.12 0.00 1.34 0.00 0.00 72.50 71.61 2rqb s THR 970 CO 0.00 0.00 0.21 -0.32 -0.54 0.00 0.00 174.62 173.97 2rqb s MET 971 N -4.08 1.95 0.48 3.99 1.75 -1.19 0.45 119.30 122.64 2rqb s MET 971 Ca 0.31 -2.09 -0.15 0.00 -1.25 0.00 0.00 55.69 52.51 2rqb s MET 971 Cb 0.03 -3.46 -0.07 0.00 2.84 0.00 0.00 34.83 34.17 2rqb s MET 971 CO 0.11 -1.06 0.91 -1.64 -0.65 0.00 0.00 175.02 172.69 2rqb s MET 972 N 0.63 3.90 0.08 4.11 -1.94 0.36 -0.76 119.30 125.68 2rqb s MET 972 Ca 0.12 0.80 0.07 0.00 -1.71 0.00 0.00 55.69 54.97 2rqb s MET 972 Cb -0.22 -2.22 -0.03 0.00 2.01 0.00 0.00 34.83 34.37 2rqb s MET 972 CO -0.05 -0.19 -0.19 0.08 -0.01 0.00 0.00 175.02 174.67 2rqb s VAL 973 N -2.53 1.55 -0.27 -6.03 1.01 0.52 -0.20 120.40 114.46 2rqb s VAL 973 Ca 0.56 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.12 2rqb s VAL 973 Cb -0.10 -1.41 0.09 0.00 0.00 0.00 0.00 36.38 34.96 2rqb s VAL 973 CO 0.31 -0.03 0.12 -2.28 0.00 0.00 0.00 175.10 173.22 2rqb s HIS 974 N -1.08 0.35 -1.90 5.22 5.04 -1.05 -3.35 115.29 118.53 2rqb s HIS 974 Ca 0.05 -0.80 0.00 0.00 -1.54 0.00 0.00 55.06 52.77 2rqb s HIS 974 Cb -0.10 -0.89 0.00 0.00 0.04 0.00 0.00 32.58 31.63 2rqb s HIS 974 CO 0.03 -0.76 0.00 1.63 -2.34 0.00 0.00 174.74 173.30 2rqb n LYS 975 N 5.24 -1.43 0.00 2.88 5.02 -1.26 -0.37 118.16 128.24 2rqb n LYS 975 Ca -0.06 1.09 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 2rqb n LYS 975 Cb 0.43 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 29.93 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 -0.76 0.62 3.88 0.72 0.00 -1.26 -4.82 105.19 103.57 2rqb n GLY 976 Ca -0.21 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 2.68 -0.22 0.99 0.20 0.50 -5.06 118.68 117.78 2rqb s LEU 977 Ca 0.00 1.00 -0.01 0.00 0.69 0.00 0.00 54.13 55.81 2rqb s LEU 977 Cb 0.00 -3.64 0.02 0.00 -0.43 0.00 0.00 46.19 42.14 2rqb s LEU 977 CO 0.00 -1.66 -0.11 -1.81 -0.29 0.00 0.00 176.35 172.48 2rqb s ASP 978 N -4.40 3.87 -0.33 3.68 1.01 -1.26 -2.51 116.67 116.72 2rqb s ASP 978 Ca 0.60 -0.69 -0.01 0.00 0.71 0.00 0.00 52.55 53.16 2rqb s ASP 978 Cb -0.11 -1.61 0.11 0.00 1.01 0.00 0.00 42.92 42.32 2rqb s ASP 978 CO 0.51 -0.05 0.15 -0.76 0.21 0.00 0.00 175.17 175.23 2rqb s LEU 979 N 1.34 1.56 -0.25 1.23 1.02 0.72 -4.88 118.68 119.43 2rqb s LEU 979 Ca 0.03 -1.80 -0.29 0.00 0.02 0.00 0.00 54.13 52.09 2rqb s LEU 979 Cb -0.15 -0.65 -0.01 0.00 0.02 0.00 0.00 46.19 45.41 2rqb s LEU 979 CO -0.07 -0.38 1.32 -2.16 0.02 0.00 0.00 176.35 175.08 2rqb s PRO 980 N 1.46 4.01 -0.35 1.29 0.04 -1.26 -0.49 135.00 139.69 2rqb s PRO 980 Ca 0.12 1.42 -0.17 0.00 0.04 0.00 0.00 61.00 62.42 2rqb s PRO 980 Cb -0.19 -3.86 -0.00 0.00 0.04 0.00 0.00 34.50 30.49 2rqb s PRO 980 CO -0.19 -1.00 0.44 0.00 0.04 0.00 0.00 177.00 176.29 2rqb s LEU 982 N 2.21 4.31 -0.19 0.00 1.02 -1.26 -0.00 118.68 124.77 2rqb s LEU 982 Ca 0.15 0.32 -0.05 0.00 0.02 0.00 0.00 54.13 54.57 2rqb s LEU 982 Cb -0.16 -2.57 -0.02 0.00 0.02 0.00 0.00 46.19 43.46 2rqb s LEU 982 CO 0.13 0.26 -0.01 -0.54 0.02 0.00 0.00 176.35 176.21 2rqb s LYS 983 N -1.92 3.61 0.59 1.70 3.01 0.51 -4.94 119.74 122.30 2rqb s LYS 983 Ca 0.27 -0.52 0.29 0.00 -1.01 0.00 0.00 55.97 54.99 2rqb s LYS 983 Cb -0.13 -3.05 1.73 0.00 -1.01 0.00 0.00 37.83 35.38 2rqb s LYS 983 CO 0.18 0.04 2.19 0.82 0.51 0.00 0.00 175.35 179.09 2rqb h ILE 984 N 5.36 0.53 0.00 2.17 2.04 -1.84 0.38 117.51 126.15 2rqb h ILE 984 Ca -0.35 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.51 2rqb h ILE 984 Cb 1.18 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2rqb h ILE 984 CO 0.61 0.00 0.00 -2.11 0.00 0.00 0.00 178.15 176.65 2rqb n ARG 985 N -3.87 0.09 0.00 2.37 1.85 0.10 -1.00 116.66 116.21 2rqb n ARG 985 Ca -0.01 0.24 0.00 0.00 -1.00 0.00 0.00 57.85 57.08 2rqb n ARG 985 Cb 0.17 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 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 -1.38 0.66 -3.42 2.89 3.02 0.13 -4.99 115.26 112.17 2rqb n ASN 986 Ca 0.04 -0.83 -0.18 0.00 -0.03 0.00 0.00 54.58 53.58 2rqb n ASN 986 Cb 0.10 0.33 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.33 0.54 -4.09 3.10 3.01 -0.17 -1.09 117.46 118.43 2rqb n PHE 987 Ca 0.00 -1.52 -0.07 0.00 1.01 0.00 0.00 57.45 56.87 2rqb n PHE 987 Cb 0.00 -0.15 -0.10 0.00 -0.01 0.00 0.00 39.48 39.22 2rqb n PHE 987 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 2rqb s VAL 988 N -2.20 0.23 -0.14 -4.37 1.01 -0.44 -4.49 120.40 110.00 2rqb s VAL 988 Ca 0.03 -1.81 0.02 0.00 0.00 0.00 0.00 61.98 60.22 2rqb s VAL 988 Cb 0.00 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.86 2rqb s VAL 988 CO 0.02 -0.99 -0.19 -0.69 0.00 0.00 0.00 175.10 173.26 2rqb s VAL 989 N -3.91 1.88 -0.20 2.92 1.01 -0.05 -1.05 120.40 121.01 2rqb s VAL 989 Ca 0.07 -0.86 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2rqb s VAL 989 Cb 0.08 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.78 2rqb s VAL 989 CO -0.10 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 174.68 2rqb s VAL 990 N 1.05 2.48 0.12 2.92 1.01 -1.04 0.50 120.40 127.44 2rqb s VAL 990 Ca -0.02 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 2rqb s VAL 990 Cb -0.14 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.07 2rqb s VAL 990 CO -0.06 0.47 0.94 -0.36 0.00 0.00 0.00 175.10 176.09 2rqb s PHE 991 N 1.34 3.83 -0.05 5.22 0.08 -1.06 -2.80 117.98 124.54 2rqb s PHE 991 Ca 0.04 1.79 -0.11 0.00 0.12 0.00 0.00 56.93 58.77 2rqb s PHE 991 Cb -0.14 -3.03 -0.31 0.00 -0.57 0.00 0.00 43.02 38.97 2rqb s PHE 991 CO -0.09 0.24 0.67 -0.22 -0.10 0.00 0.00 175.22 175.72 2rqb h LYS 992 N 5.43 0.40 -0.94 0.44 3.64 0.38 -3.36 116.57 122.56 2rqb h LYS 992 Ca -0.43 -0.69 0.13 0.00 -1.27 0.00 0.00 60.65 58.39 2rqb h LYS 992 Cb 1.21 0.26 -0.15 0.00 -0.41 0.00 0.00 32.23 33.14 2rqb h LYS 992 CO 0.71 1.33 -0.43 -0.91 -2.27 0.00 0.00 179.45 177.88 2rqb h ASN 993 N 0.10 -1.58 -4.07 4.20 -0.26 -1.93 -3.40 115.58 108.64 2rqb h ASN 993 Ca -0.34 0.31 -0.45 0.00 -0.56 0.00 0.00 56.30 55.25 2rqb h ASN 993 Cb 2.10 0.78 -0.19 0.00 -1.06 0.00 0.00 38.32 39.95 2rqb h ASN 993 CO 0.18 -0.28 -0.77 0.21 -1.06 0.00 0.00 177.43 175.70 2rqb s ASN 994 N -5.36 2.11 -0.91 5.81 2.47 -1.26 -4.99 114.94 112.81 2rqb s ASN 994 Ca -0.13 -0.77 -0.24 0.00 0.42 0.00 0.00 52.86 52.13 2rqb s ASN 994 Cb 0.18 -0.09 -0.03 0.00 -1.45 0.00 0.00 41.25 39.86 2rqb s ASN 994 CO 0.69 -0.09 1.86 -0.94 -3.72 0.00 0.00 177.10 174.89 2rqb s SER 995 N -2.29 5.38 0.13 -4.21 1.04 -1.26 -4.50 113.70 107.99 2rqb s SER 995 Ca 0.08 -0.75 -0.17 0.00 0.48 0.00 0.00 55.95 55.58 2rqb s SER 995 Cb -0.07 -2.56 0.04 0.00 0.10 0.00 0.00 66.02 63.54 2rqb s SER 995 CO 0.04 -2.52 0.44 -0.89 0.98 0.00 0.00 173.24 171.28 2rqb s THR 996 N 9.17 0.06 -0.12 2.02 2.01 -1.26 -5.08 115.64 122.44 2rqb s THR 996 Ca 0.66 -0.46 -0.02 0.00 0.31 0.00 0.00 61.69 62.18 2rqb s THR 996 Cb -0.06 -1.13 0.04 0.00 0.01 0.00 0.00 72.50 71.36 2rqb s THR 996 CO -0.01 -0.26 -0.01 -0.75 -0.69 0.00 0.00 174.62 172.91 2rqb s LYS 997 N -3.74 0.85 -0.17 4.92 2.20 -1.26 -2.55 119.74 119.98 2rqb s LYS 997 Ca 0.02 -0.16 -0.05 0.00 -0.36 0.00 0.00 55.97 55.42 2rqb s LYS 997 Cb 0.01 -1.49 -0.03 0.00 -1.51 0.00 0.00 37.83 34.81 2rqb s LYS 997 CO -0.12 -0.40 0.01 0.15 -0.36 0.00 0.00 175.35 174.62 2rqb s LYS 998 N 1.86 3.77 -0.36 4.03 3.01 0.18 -4.99 119.74 127.24 2rqb s LYS 998 Ca 0.03 -0.46 -0.09 0.00 -1.01 0.00 0.00 55.97 54.45 2rqb s LYS 998 Cb -0.14 -3.05 0.04 0.00 -1.01 0.00 0.00 37.83 33.66 2rqb s LYS 998 CO -0.07 0.21 0.16 -1.14 0.51 0.00 0.00 175.35 175.03 2rqb s GLN 999 N 0.48 2.71 0.17 1.68 0.74 -1.26 -0.87 119.66 123.31 2rqb s GLN 999 Ca -0.01 -1.16 0.03 0.00 0.05 0.00 0.00 55.36 54.27 2rqb s GLN 999 Cb -0.14 -3.61 0.03 0.00 1.10 0.00 0.00 33.01 30.39 2rqb s GLN 999 CO 0.02 -0.71 0.22 0.66 -0.55 0.00 0.00 175.29 174.93 2rqb n TYR 1000N 4.91 -2.57 0.00 1.67 4.01 -1.26 -5.02 117.16 118.89 2rqb n TYR 1000Ca -0.12 -0.63 0.00 0.00 -0.16 0.00 0.00 57.90 56.99 2rqb n TYR 1000Cb 0.45 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 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 -1.30 0.00 -4.44 -0.72 2.85 -1.26 -4.11 118.16 109.17 2rqb n LYS 1001Ca 0.04 0.00 -0.24 0.00 -1.05 0.00 0.00 58.31 57.06 2rqb n LYS 1001Cb 0.18 -0.42 -0.10 0.00 -0.65 0.00 0.00 35.03 34.04 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 -1.99 1.81 0.47 -1.58 1.02 -1.26 0.02 119.74 118.22 2rqb s LYS 1002Ca 0.00 -1.73 0.26 0.00 0.02 0.00 0.00 55.97 54.53 2rqb s LYS 1002Cb 0.00 -1.83 0.96 0.00 -0.52 0.00 0.00 37.83 36.43 2rqb s LYS 1002CO 0.00 0.31 1.84 -1.49 -0.92 0.00 0.00 175.35 175.08 2rqb h TRP 1003N 2.16 0.00 0.00 3.18 4.06 -1.96 -2.19 115.95 121.20 2rqb h TRP 1003Ca -0.41 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.54 2rqb h TRP 1003Cb 1.26 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.42 2rqb h TRP 1003CO 0.78 0.15 -0.02 -0.24 -3.56 0.00 0.00 178.44 175.55 2rqb h VAL 1004N 0.00 0.12 0.00 1.49 3.04 -2.00 -0.28 116.25 118.62 2rqb h VAL 1004Ca -0.00 -0.23 -0.16 0.00 -1.01 0.00 0.00 66.70 65.29 2rqb h VAL 1004Cb 0.73 1.20 -0.02 0.00 -2.01 0.00 0.00 31.29 31.19 2rqb h VAL 1004CO 0.02 0.02 -0.76 -0.33 -1.01 0.00 0.00 177.57 175.51 2rqb h GLU 1005N 0.00 0.00 -6.07 4.17 4.39 -1.81 -3.44 114.58 111.83 2rqb h GLU 1005Ca -0.00 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 59.12 2rqb h GLU 1005Cb 0.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2rqb h GLU 1005CO 0.00 0.76 1.43 -1.17 -1.16 0.00 0.00 179.01 178.88 2rqb s LEU 1006N -6.83 3.57 0.00 1.33 2.96 -0.12 -4.80 118.68 114.79 2rqb s LEU 1006Ca 0.01 1.91 0.24 0.00 -0.22 0.00 0.00 54.13 56.07 2rqb s LEU 1006Cb 0.10 -3.51 1.43 0.00 0.50 0.00 0.00 46.19 44.70 2rqb s LEU 1006CO 0.78 -1.82 1.80 -0.81 -1.32 0.00 0.00 176.35 174.98 2rqb n PRO 1007N 8.56 0.74 -3.14 0.98 -0.04 -1.26 -4.74 135.00 136.09 2rqb n PRO 1007Ca 0.28 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.35 2rqb n PRO 1007Cb 0.45 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.02 4.74 0.71 0.52 1.09 -1.26 -4.85 121.20 120.13 2rqb s ILE 1008Ca 0.36 1.39 -0.12 0.00 -1.10 0.00 0.00 60.65 61.18 2rqb s ILE 1008Cb 0.17 -3.99 0.02 0.00 -1.06 0.00 0.00 42.46 37.59 2rqb s ILE 1008CO 0.28 0.46 1.08 0.28 -0.10 0.00 0.00 174.94 176.94 2rqb s THR 1009N -0.56 3.60 0.14 2.92 -1.32 -1.24 -4.99 115.64 114.18 2rqb s THR 1009Ca 0.33 0.58 -0.01 0.00 -1.21 0.00 0.00 61.69 61.38 2rqb s THR 1009Cb -0.20 -3.16 -0.04 0.00 -1.51 0.00 0.00 72.50 67.60 2rqb s THR 1009CO 0.20 -0.62 0.06 -0.36 -2.21 0.00 0.00 174.62 171.69 2rqb s PHE 1010N -2.80 0.89 0.00 9.09 0.40 -1.26 -4.50 117.98 119.79 2rqb s PHE 1010Ca 0.61 -1.24 0.00 0.00 -0.60 0.00 0.00 56.93 55.70 2rqb s PHE 1010Cb -0.16 -0.49 0.00 0.00 0.51 0.00 0.00 43.02 42.87 2rqb s PHE 1010CO 0.51 -0.52 0.00 -0.35 0.70 0.00 0.00 175.22 175.56 2rqb n PRO 1011N -0.11 -0.44 -3.38 0.24 -0.04 -1.26 -5.06 135.00 124.95 2rqb n PRO 1011Ca -0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 2rqb n PRO 1011Cb 0.64 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.87 0.47 3.54 0.01 -1.26 -4.39 114.94 112.93 2rqb s ASN 1012Ca 0.00 -0.27 0.07 0.00 -0.71 0.00 0.00 52.86 51.95 2rqb s ASN 1012Cb 0.00 0.82 0.03 0.00 0.41 0.00 0.00 41.25 42.51 2rqb s ASN 1012CO 0.00 -0.34 0.64 -0.76 -1.51 0.00 0.00 177.10 175.13 2rqb s LEU 1013N 2.46 3.51 -0.15 0.60 1.43 0.40 -4.94 118.68 121.99 2rqb s LEU 1013Ca 0.10 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.69 2rqb s LEU 1013Cb -0.14 -2.54 0.05 0.00 0.03 0.00 0.00 46.19 43.58 2rqb s LEU 1013CO -0.23 -0.92 0.38 -1.81 0.23 0.00 0.00 176.35 173.99 2rqb s ASP 1014N -4.41 -0.44 0.20 2.29 -0.00 -1.26 -4.11 116.67 108.94 2rqb s ASP 1014Ca 0.57 0.80 -0.09 0.00 -0.00 0.00 0.00 52.55 53.82 2rqb s ASP 1014Cb -0.09 0.73 0.14 0.00 -0.00 0.00 0.00 42.92 43.70 2rqb s ASP 1014CO 0.35 -0.17 1.80 1.88 -0.00 0.00 0.00 175.17 179.04 2rqb h TYR 1015N 6.56 1.06 -1.77 4.23 0.05 -1.95 -2.19 116.97 122.96 2rqb h TYR 1015Ca -0.34 -0.04 0.51 0.00 0.05 0.00 0.00 58.73 58.92 2rqb h TYR 1015Cb 1.18 -0.33 -0.07 0.00 1.01 0.00 0.00 36.73 38.52 2rqb h TYR 1015CO 0.32 0.77 1.36 1.03 -1.05 0.00 0.00 178.16 180.58 2rqb h SER 1016N 1.05 0.00 -0.01 3.88 0.87 -2.03 1.37 113.55 118.68 2rqb h SER 1016Ca 0.26 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2rqb h SER 1016Cb 0.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 2rqb h SER 1016CO -0.04 0.00 0.00 -0.33 -0.53 0.00 0.00 176.83 175.94 2rqb h GLU 1017N 0.00 0.01 -5.91 2.24 4.39 -1.83 -3.34 114.58 110.14 2rqb h GLU 1017Ca 0.84 -0.00 -0.51 0.00 0.34 0.00 0.00 59.36 60.03 2rqb h GLU 1017Cb 3.55 -0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 32.11 2rqb h GLU 1017CO -0.01 0.11 1.37 0.00 -1.16 0.00 0.00 179.01 179.33 2rqb n LEU 1020N -0.96 0.66 -0.02 0.00 7.99 -1.26 -4.41 117.00 118.99 2rqb n LEU 1020Ca 0.49 0.33 0.13 0.00 -0.01 0.00 0.00 56.01 56.95 2rqb n LEU 1020Cb 0.99 -0.38 0.41 0.00 -0.11 0.00 0.00 43.42 44.34 2rqb n LEU 1020CO 0.49 -0.38 0.66 0.49 -1.51 0.00 0.00 177.39 177.15 2rqb n PHE 1021N -1.70 0.00 -1.26 -1.77 3.72 -1.26 -4.45 117.46 110.74 2rqb n PHE 1021Ca 0.00 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.04 2rqb n PHE 1021Cb 0.00 -0.32 -0.02 0.00 -0.94 0.00 0.00 39.48 38.20 2rqb n PHE 1021CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2rqb n SER 1022N -1.41 5.58 -1.03 4.37 7.64 -1.26 -4.26 113.62 123.26 2rqb n SER 1022Ca 0.07 -2.60 0.02 0.00 1.01 0.00 0.00 58.87 57.38 2rqb n SER 1022Cb 0.33 -1.40 0.14 0.00 -1.01 0.00 0.00 64.21 62.27 2rqb n SER 1022CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2rqb n ASP 1023N 5.01 1.85 -3.74 6.43 8.00 -1.26 -4.89 116.55 127.95 2rqb n ASP 1023Ca 0.59 -3.38 -0.20 0.00 0.71 0.00 0.00 54.79 52.51 2rqb n ASP 1023Cb 0.28 -0.46 0.13 0.00 -0.02 0.00 0.00 41.12 41.05 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 -0.68 -1.79 0.00 -1.24 -0.00 -1.26 -5.22 120.64 110.44 2rqb n GLU 1024Ca 0.18 -0.53 0.02 0.00 -0.00 0.00 0.00 57.16 56.83 2rqb n GLU 1024Cb 0.83 -1.42 0.11 0.00 -0.00 0.00 0.00 31.44 30.96 2rqb n GLU 1024CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88