#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqd n PRO 892 N 0.00 1.00 -0.33 0.38 -0.02 -1.26 -1.37 135.00 133.41 1nqd n PRO 892 Ca 0.00 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1nqd n PRO 892 Cb 0.00 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1nqd n PRO 892 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqd n GLY 893 N 1.93 1.47 3.76 -1.23 0.00 -1.26 -5.01 105.19 104.85 1nqd n GLY 893 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1nqd n GLY 893 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqd s ASN 894 N -3.19 6.96 -0.06 1.61 2.47 -0.47 -4.92 114.94 117.34 1nqd s ASN 894 Ca 0.00 2.50 0.04 0.00 0.42 0.00 0.00 52.86 55.81 1nqd s ASN 894 Cb 0.00 -2.63 -0.02 0.00 -1.45 0.00 0.00 41.25 37.14 1nqd s ASN 894 CO 0.00 -0.40 -0.17 -0.70 -3.72 0.00 0.00 177.10 172.11 1nqd s GLU 895 N -1.37 2.65 0.20 0.43 2.12 -1.09 -4.99 118.70 116.65 1nqd s GLU 895 Ca 0.49 -0.75 -0.14 0.00 0.36 0.00 0.00 54.97 54.93 1nqd s GLU 895 Cb -0.37 -2.36 -0.07 0.00 0.26 0.00 0.00 34.13 31.59 1nqd s GLU 895 CO 0.46 0.50 0.60 0.15 -0.54 0.00 0.00 175.26 176.43 1nqd s LYS 896 N -0.41 3.96 -0.07 4.30 -0.14 -1.26 -0.38 119.74 125.74 1nqd s LYS 896 Ca 0.04 0.50 -0.03 0.00 -1.36 0.00 0.00 55.97 55.13 1nqd s LYS 896 Cb -0.12 -2.77 0.04 0.00 -1.68 0.00 0.00 37.83 33.29 1nqd s LYS 896 CO 0.02 0.38 0.15 -1.17 -0.76 0.00 0.00 175.35 173.96 1nqd s LEU 897 N -2.35 0.67 0.27 3.17 2.96 -0.45 -4.90 118.68 118.05 1nqd s LEU 897 Ca 0.43 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 54.35 1nqd s LEU 897 Cb -0.13 0.36 -0.09 0.00 0.50 0.00 0.00 46.19 46.82 1nqd s LEU 897 CO 0.20 -0.15 0.99 -0.54 -1.32 0.00 0.00 176.35 175.52 1nqd s LYS 898 N 1.24 4.74 0.88 1.98 -0.14 -1.26 -0.53 119.74 126.65 1nqd s LYS 898 Ca -0.08 1.57 -0.12 0.00 -1.36 0.00 0.00 55.97 55.97 1nqd s LYS 898 Cb -0.12 -3.17 0.09 0.00 -1.68 0.00 0.00 37.83 32.96 1nqd s LYS 898 CO -0.06 0.38 0.97 -0.85 -0.76 0.00 0.00 175.35 175.02 1nqd n GLU 899 N 1.24 -0.18 -4.06 1.68 0.28 -0.65 -4.86 120.64 114.08 1nqd n GLU 899 Ca -0.01 0.01 -0.32 0.00 -0.16 0.00 0.00 57.16 56.68 1nqd n GLU 899 Cb 0.47 -2.25 -0.15 0.00 1.43 0.00 0.00 31.44 30.94 1nqd n GLU 899 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1nqd s LYS 900 N -4.14 2.20 0.56 3.44 1.02 -1.26 -5.04 119.74 116.52 1nqd s LYS 900 Ca 0.67 -1.38 -0.17 0.00 0.02 0.00 0.00 55.97 55.11 1nqd s LYS 900 Cb -0.25 -2.92 -0.05 0.00 -0.52 0.00 0.00 37.83 34.09 1nqd s LYS 900 CO 0.58 -0.59 1.05 -1.21 -0.92 0.00 0.00 175.35 174.25 1nqd s GLU 901 N 1.09 3.50 -0.02 1.68 0.41 -1.26 -3.80 118.70 120.30 1nqd s GLU 901 Ca -0.08 1.24 -0.26 0.00 -0.41 0.00 0.00 54.97 55.46 1nqd s GLU 901 Cb -0.20 -2.06 -0.04 0.00 -1.78 0.00 0.00 34.13 30.06 1nqd s GLU 901 CO -0.05 -0.67 0.79 1.21 -0.49 0.00 0.00 175.26 176.05 1nqd s ASN 902 N -2.57 7.14 -0.18 -0.19 3.84 -1.26 -5.12 114.94 116.60 1nqd s ASN 902 Ca 0.64 1.38 0.17 0.00 0.21 0.00 0.00 52.86 55.26 1nqd s ASN 902 Cb -0.16 -2.47 0.45 0.00 -0.55 0.00 0.00 41.25 38.52 1nqd s ASN 902 CO 0.32 -0.13 1.18 -0.46 -2.79 0.00 0.00 177.10 175.21 1nqd n ASN 903 N 3.61 2.25 -0.19 -4.21 0.23 -1.25 -4.79 115.26 110.91 1nqd n ASN 903 Ca 0.01 -2.98 0.05 0.00 -0.53 0.00 0.00 54.58 51.14 1nqd n ASN 903 Cb 0.51 -0.41 0.26 0.00 -2.08 0.00 0.00 39.78 38.06 1nqd n ASN 903 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1nqd n ASP 904 N -0.49 0.56 -3.91 0.53 10.43 -1.26 -0.88 116.55 121.53 1nqd n ASP 904 Ca 0.19 -1.77 -0.09 0.00 2.57 0.00 0.00 54.79 55.69 1nqd n ASP 904 Cb 0.90 -0.05 -0.09 0.00 1.84 0.00 0.00 41.12 43.72 1nqd n ASP 904 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1nqd s SER 905 N -1.27 0.17 0.23 -2.24 1.04 -1.26 -4.90 113.70 105.46 1nqd s SER 905 Ca 0.18 -0.59 -0.07 0.00 0.48 0.00 0.00 55.95 55.95 1nqd s SER 905 Cb 0.09 0.27 0.27 0.00 0.10 0.00 0.00 66.02 66.75 1nqd s SER 905 CO 0.13 -0.60 1.87 0.77 0.98 0.00 0.00 173.24 176.39 1nqd h SER 906 N 3.27 0.87 0.28 7.02 4.64 -1.97 0.05 113.55 127.71 1nqd h SER 906 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1nqd h SER 906 Cb 1.19 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1nqd h SER 906 CO 0.54 0.59 0.00 -2.24 -0.87 0.00 0.00 176.83 174.84 1nqd h ASP 907 N 1.02 0.00 -0.25 4.97 -0.00 -1.97 -0.21 116.42 119.98 1nqd h ASP 907 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.37 1nqd h ASP 907 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.38 1nqd h ASP 907 CO -0.13 0.00 0.00 0.29 -0.00 0.00 0.00 179.24 179.40 1nqd n LYS 908 N -2.32 2.83 -1.66 4.15 5.02 -0.04 -5.04 118.16 121.10 1nqd n LYS 908 Ca -0.00 -2.72 -0.42 0.00 -2.02 0.00 0.00 58.31 53.14 1nqd n LYS 908 Cb 0.11 -1.75 -0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1nqd n LYS 908 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqd n ALA 909 N -0.44 0.80 -2.59 7.82 0.00 -0.09 -4.25 120.51 121.77 1nqd n ALA 909 Ca 0.20 0.32 -0.43 0.00 0.00 0.00 0.00 53.44 53.53 1nqd n ALA 909 Cb 0.82 -2.18 -0.02 0.00 0.00 0.00 0.00 19.45 18.06 1nqd n ALA 909 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1nqd s THR 910 N -1.15 4.56 0.13 0.00 2.01 -0.17 -4.72 115.64 116.29 1nqd s THR 910 Ca 0.59 1.87 -0.30 0.00 0.31 0.00 0.00 61.69 64.15 1nqd s THR 910 Cb -0.58 -4.20 -0.07 0.00 0.01 0.00 0.00 72.50 67.66 1nqd s THR 910 CO 0.60 -0.10 1.25 -0.69 -0.69 0.00 0.00 174.62 174.98 1nqd s VAL 911 N 2.86 3.64 -0.46 3.82 1.01 -1.26 -1.65 120.40 128.35 1nqd s VAL 911 Ca 0.49 1.26 -0.18 0.00 0.00 0.00 0.00 61.98 63.55 1nqd s VAL 911 Cb -0.19 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.43 1nqd s VAL 911 CO 0.13 0.15 0.51 -0.63 0.00 0.00 0.00 175.10 175.25 1nqd s ILE 912 N 0.56 5.03 -0.89 2.22 1.01 0.28 -4.90 121.20 124.50 1nqd s ILE 912 Ca 0.57 -0.51 0.28 0.00 0.00 0.00 0.00 60.65 60.99 1nqd s ILE 912 Cb -0.33 -4.16 0.24 0.00 0.01 0.00 0.00 42.46 38.22 1nqd s ILE 912 CO 0.33 -0.60 1.82 -0.81 0.00 0.00 0.00 174.94 175.69 1nqd n PRO 913 N 5.76 0.11 -1.76 2.79 -0.04 -1.26 -4.54 135.00 136.06 1nqd n PRO 913 Ca -0.08 0.08 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1nqd n PRO 913 Cb 0.46 -1.62 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 1nqd n PRO 913 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1nqd n ASN 914 N -1.80 -0.61 -1.71 3.54 0.23 -1.26 -4.99 115.26 108.65 1nqd n ASN 914 Ca 0.06 -1.42 -0.08 0.00 -0.53 0.00 0.00 54.58 52.61 1nqd n ASN 914 Cb 0.38 1.02 0.24 0.00 -2.08 0.00 0.00 39.78 39.34 1nqd n ASN 914 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1nqd n PHE 915 N -0.15 2.08 -2.70 -2.53 3.72 -1.26 -4.30 117.46 112.33 1nqd n PHE 915 Ca -0.02 -1.42 -0.07 0.00 -0.05 0.00 0.00 57.45 55.89 1nqd n PHE 915 Cb 0.16 -0.66 0.04 0.00 -0.94 0.00 0.00 39.48 38.08 1nqd n PHE 915 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1nqd n ASN 916 N -0.68 1.21 -4.42 4.37 4.05 -1.26 -4.28 115.26 114.24 1nqd n ASN 916 Ca 0.41 -2.55 -0.30 0.00 0.45 0.00 0.00 54.58 52.59 1nqd n ASN 916 Cb 1.31 -0.40 -0.13 0.00 1.23 0.00 0.00 39.78 41.79 1nqd n ASN 916 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1nqd s THR 917 N -3.00 2.58 -0.30 -0.44 2.01 -1.26 -2.68 115.64 112.55 1nqd s THR 917 Ca 0.26 -1.33 -0.05 0.00 0.31 0.00 0.00 61.69 60.88 1nqd s THR 917 Cb 0.43 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.88 1nqd s THR 917 CO 0.01 0.30 0.05 -0.89 -0.69 0.00 0.00 174.62 173.39 1nqd s THR 918 N -0.93 3.57 0.06 -0.82 2.01 0.49 -4.33 115.64 115.69 1nqd s THR 918 Ca 0.14 -0.96 -0.26 0.00 0.31 0.00 0.00 61.69 60.93 1nqd s THR 918 Cb -0.10 -2.91 -0.06 0.00 0.01 0.00 0.00 72.50 69.44 1nqd s THR 918 CO 0.05 0.02 0.79 -0.04 -0.69 0.00 0.00 174.62 174.75 1nqd s MET 919 N 1.41 4.53 -0.17 4.92 -1.94 0.02 -1.34 119.30 126.73 1nqd s MET 919 Ca 0.00 1.12 -0.05 0.00 -1.71 0.00 0.00 55.69 55.06 1nqd s MET 919 Cb -0.18 -3.36 -0.03 0.00 2.01 0.00 0.00 34.83 33.28 1nqd s MET 919 CO 0.01 0.30 -0.01 -0.65 -0.01 0.00 0.00 175.02 174.66 1nqd s GLN 920 N -0.15 3.72 0.25 2.03 -0.21 0.31 -0.70 119.66 124.91 1nqd s GLN 920 Ca 0.39 -0.48 -0.02 0.00 0.02 0.00 0.00 55.36 55.27 1nqd s GLN 920 Cb -0.21 -3.02 -0.03 0.00 1.00 0.00 0.00 33.01 30.76 1nqd s GLN 920 CO 0.24 0.19 0.27 0.20 -2.12 0.00 0.00 175.29 174.08 1nqd s GLY 921 N 0.52 1.44 0.01 3.09 0.00 -0.39 -1.64 107.32 110.35 1nqd s GLY 921 Ca -0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 44.72 43.07 1nqd s GLY 921 CO 0.02 -1.21 0.07 -1.35 0.00 0.00 0.00 173.10 170.64 1nqd s SER 922 N -3.18 0.11 -0.61 1.64 1.04 -1.26 -1.29 113.70 110.14 1nqd s SER 922 Ca 0.35 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.52 1nqd s SER 922 Cb 0.04 0.16 0.21 0.00 0.10 0.00 0.00 66.02 66.53 1nqd s SER 922 CO 0.16 -0.34 0.57 0.18 0.98 0.00 0.00 173.24 174.78 1nqd n LEU 923 N 1.51 2.52 -4.77 2.42 4.77 0.70 -4.98 117.00 119.17 1nqd n LEU 923 Ca -0.23 -5.13 -0.36 0.00 -0.03 0.00 0.00 56.01 50.25 1nqd n LEU 923 Cb 0.55 -0.40 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1nqd n LEU 923 CO 0.21 1.91 -0.07 -0.76 -1.33 0.00 0.00 177.39 177.35 1nqd s LEU 924 N -1.60 4.29 0.00 2.23 1.43 -1.21 -2.77 118.68 121.05 1nqd s LEU 924 Ca 0.32 0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 1nqd s LEU 924 Cb 0.06 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 44.01 1nqd s LEU 924 CO -0.11 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.29 1nqd n GLY 925 N 2.93 2.73 0.32 -3.19 0.00 -1.26 -1.91 105.19 104.81 1nqd n GLY 925 Ca -0.15 -0.31 0.21 0.00 0.00 0.00 0.00 46.02 45.77 1nqd n GLY 925 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nqd h ASP 926 N 3.08 0.00 -1.94 1.61 5.19 -1.98 -3.39 116.42 118.99 1nqd h ASP 926 Ca 0.00 0.00 -0.52 0.00 -0.62 0.00 0.00 57.03 55.89 1nqd h ASP 926 Cb 0.00 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.44 1nqd h ASP 926 CO 0.00 0.00 1.18 -0.62 -3.12 0.00 0.00 179.24 176.68 1nqd s ASP 927 N -5.29 5.88 0.00 6.45 2.15 -0.80 -4.78 116.67 120.28 1nqd s ASP 927 Ca -0.03 -0.40 0.06 0.00 0.43 0.00 0.00 52.55 52.60 1nqd s ASP 927 Cb 0.12 -2.55 0.01 0.00 -0.30 0.00 0.00 42.92 40.20 1nqd s ASP 927 CO 0.45 -2.01 0.52 -1.54 -0.17 0.00 0.00 175.17 172.41 1nqd n SER 928 N 10.60 1.04 -3.86 -0.34 3.41 -1.26 -3.36 113.62 119.86 1nqd n SER 928 Ca 0.15 -1.02 -0.13 0.00 -0.26 0.00 0.00 58.87 57.61 1nqd n SER 928 Cb 0.50 0.35 -0.15 0.00 -0.26 0.00 0.00 64.21 64.66 1nqd n SER 928 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1nqd s ARG 929 N -0.83 0.04 -0.19 4.33 0.52 -1.26 -1.43 118.95 120.13 1nqd s ARG 929 Ca 0.05 0.02 0.00 0.00 -0.52 0.00 0.00 55.73 55.28 1nqd s ARG 929 Cb 0.04 -0.11 0.04 0.00 0.52 0.00 0.00 34.95 35.45 1nqd s ARG 929 CO 0.12 -0.03 -0.07 -0.51 0.02 0.00 0.00 175.30 174.83 1nqd s ASP 930 N 0.24 3.17 0.02 0.23 1.01 0.24 -4.49 116.67 117.09 1nqd s ASP 930 Ca -0.02 -0.81 -0.18 0.00 0.71 0.00 0.00 52.55 52.25 1nqd s ASP 930 Cb -0.03 -1.07 -0.06 0.00 1.01 0.00 0.00 42.92 42.77 1nqd s ASP 930 CO -0.01 -0.17 0.51 -0.31 0.21 0.00 0.00 175.17 175.40 1nqd s TYR 931 N 1.51 3.73 0.22 4.23 4.12 -0.06 -0.73 117.35 130.38 1nqd s TYR 931 Ca -0.01 1.13 0.09 0.00 0.02 0.00 0.00 57.07 58.30 1nqd s TYR 931 Cb -0.16 -2.45 -0.05 0.00 -1.52 0.00 0.00 41.96 37.79 1nqd s TYR 931 CO -0.08 0.53 -0.17 0.71 0.02 0.00 0.00 175.55 176.56 1nqd s TYR 932 N -0.78 1.91 0.08 2.71 1.51 0.47 -1.00 117.35 122.25 1nqd s TYR 932 Ca 0.27 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.86 1nqd s TYR 932 Cb -0.18 -0.87 -0.04 0.00 -0.11 0.00 0.00 41.96 40.76 1nqd s TYR 932 CO 0.16 0.47 -0.07 -1.54 -1.11 0.00 0.00 175.55 173.46 1nqd s SER 933 N -3.29 1.01 0.09 2.29 1.04 -0.66 -0.63 113.70 113.56 1nqd s SER 933 Ca 0.24 -0.89 -0.17 0.00 0.48 0.00 0.00 55.95 55.61 1nqd s SER 933 Cb -0.03 0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.22 1nqd s SER 933 CO 0.09 -0.41 0.40 0.72 0.98 0.00 0.00 173.24 175.02 1nqd s PHE 934 N -3.07 -0.22 -0.21 5.02 -0.12 -0.78 -0.56 117.98 118.03 1nqd s PHE 934 Ca 0.06 0.02 -0.03 0.00 -0.05 0.00 0.00 56.93 56.92 1nqd s PHE 934 Cb 0.02 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.63 1nqd s PHE 934 CO -0.04 -0.64 -0.05 -1.21 -0.05 0.00 0.00 175.22 173.23 1nqd s GLU 935 N -3.25 3.39 -0.23 1.99 0.41 -1.26 -1.16 118.70 118.58 1nqd s GLU 935 Ca -0.00 -0.63 -0.25 0.00 -0.41 0.00 0.00 54.97 53.68 1nqd s GLU 935 Cb 0.01 -2.97 -0.01 0.00 -1.78 0.00 0.00 34.13 29.38 1nqd s GLU 935 CO -0.08 -0.15 0.83 0.08 -0.49 0.00 0.00 175.26 175.45 1nqd s VAL 936 N 1.34 4.85 -0.05 2.63 1.01 0.04 -4.93 120.40 125.30 1nqd s VAL 936 Ca 0.04 1.58 0.22 0.00 0.00 0.00 0.00 61.98 63.82 1nqd s VAL 936 Cb -0.14 -4.12 -0.31 0.00 0.00 0.00 0.00 36.38 31.81 1nqd s VAL 936 CO -0.03 -0.05 0.52 0.29 0.00 0.00 0.00 175.10 175.84 1nqd n LYS 937 N 5.82 0.66 -3.74 2.72 5.02 -1.26 -1.31 118.16 126.06 1nqd n LYS 937 Ca 0.05 -0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 56.04 1nqd n LYS 937 Cb 0.48 -1.55 -0.14 0.00 -0.02 0.00 0.00 35.03 33.80 1nqd n LYS 937 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1nqd s GLU 938 N -3.49 0.13 0.16 1.97 2.12 -1.26 -4.85 118.70 113.49 1nqd s GLU 938 Ca -0.07 0.41 -0.31 0.00 0.36 0.00 0.00 54.97 55.36 1nqd s GLU 938 Cb 0.13 -0.15 -0.09 0.00 0.26 0.00 0.00 34.13 34.28 1nqd s GLU 938 CO 0.90 -0.16 1.49 -2.00 -0.54 0.00 0.00 175.26 174.95 1nqd s GLU 939 N 1.15 4.26 0.00 4.30 2.12 -1.26 -4.73 118.70 124.53 1nqd s GLU 939 Ca -0.09 2.27 0.00 0.00 0.36 0.00 0.00 54.97 57.51 1nqd s GLU 939 Cb -0.11 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.11 1nqd s GLU 939 CO -0.06 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.54 1nqd n GLY 940 N 3.41 -1.17 3.71 -1.50 0.00 -0.31 -4.98 105.19 104.35 1nqd n GLY 940 Ca 0.12 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 1nqd n GLY 940 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1nqd s GLU 941 N -1.49 4.42 -0.07 1.61 0.41 -1.26 -0.59 118.70 121.73 1nqd s GLU 941 Ca 0.00 1.79 0.05 0.00 -0.41 0.00 0.00 54.97 56.39 1nqd s GLU 941 Cb 0.00 -3.35 -0.00 0.00 -1.78 0.00 0.00 34.13 29.00 1nqd s GLU 941 CO 0.00 -0.28 -0.21 0.08 -0.49 0.00 0.00 175.26 174.36 1nqd s VAL 942 N 1.11 1.81 -0.18 2.63 1.01 -0.08 -4.60 120.40 122.10 1nqd s VAL 942 Ca 0.59 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 1nqd s VAL 942 Cb -0.30 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.48 1nqd s VAL 942 CO 0.29 0.51 0.20 0.21 0.00 0.00 0.00 175.10 176.31 1nqd s ASN 943 N 0.12 6.32 -0.15 3.32 2.47 0.80 -1.56 114.94 126.26 1nqd s ASN 943 Ca -0.09 0.37 0.01 0.00 0.42 0.00 0.00 52.86 53.57 1nqd s ASN 943 Cb -0.15 -2.13 0.02 0.00 -1.45 0.00 0.00 41.25 37.54 1nqd s ASN 943 CO 0.05 0.16 -0.16 -0.63 -3.72 0.00 0.00 177.10 172.80 1nqd s ILE 944 N 0.30 1.72 -0.08 -5.21 1.01 -0.09 -0.71 121.20 118.14 1nqd s ILE 944 Ca 0.12 -0.74 -0.00 0.00 0.00 0.00 0.00 60.65 60.03 1nqd s ILE 944 Cb -0.12 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.79 1nqd s ILE 944 CO 0.01 0.48 -0.05 -0.70 0.00 0.00 0.00 174.94 174.68 1nqd s GLU 945 N 1.33 1.14 -0.21 2.79 2.12 0.01 -1.49 118.70 124.38 1nqd s GLU 945 Ca 0.03 -0.13 -0.10 0.00 0.36 0.00 0.00 54.97 55.13 1nqd s GLU 945 Cb -0.13 -1.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.96 1nqd s GLU 945 CO -0.10 -0.22 0.13 -1.17 -0.54 0.00 0.00 175.26 173.36 1nqd s LEU 946 N 1.56 4.08 -0.22 2.70 0.20 0.10 -0.29 118.68 126.81 1nqd s LEU 946 Ca 0.00 0.15 -0.05 0.00 0.69 0.00 0.00 54.13 54.92 1nqd s LEU 946 Cb -0.13 -2.07 -0.02 0.00 -0.43 0.00 0.00 46.19 43.54 1nqd s LEU 946 CO -0.05 0.13 -0.01 -1.81 -0.29 0.00 0.00 176.35 174.32 1nqd s ASP 947 N 0.67 4.59 -0.08 3.68 1.01 0.64 -0.93 116.67 126.24 1nqd s ASP 947 Ca 0.07 -0.31 -0.30 0.00 0.71 0.00 0.00 52.55 52.73 1nqd s ASP 947 Cb -0.12 -1.79 -0.03 0.00 1.01 0.00 0.00 42.92 41.98 1nqd s ASP 947 CO 0.01 0.00 1.29 -0.54 0.21 0.00 0.00 175.17 176.14 1nqd s LYS 948 N 1.35 4.29 0.03 8.23 1.02 0.14 -1.02 119.74 133.78 1nqd s LYS 948 Ca 0.04 1.76 0.07 0.00 0.02 0.00 0.00 55.97 57.86 1nqd s LYS 948 Cb -0.15 -3.65 -0.23 0.00 -0.52 0.00 0.00 37.83 33.28 1nqd s LYS 948 CO -0.00 -0.58 0.93 0.87 -0.92 0.00 0.00 175.35 175.64 1nqd h LYS 949 N 7.89 0.06 -5.98 1.68 1.79 -1.23 -3.47 116.57 117.31 1nqd h LYS 949 Ca -0.33 -0.10 -0.55 0.00 -2.18 0.00 0.00 60.65 57.49 1nqd h LYS 949 Cb 1.15 0.04 -0.14 0.00 -1.58 0.00 0.00 32.23 31.69 1nqd h LYS 949 CO 0.92 0.82 -0.75 -0.51 -1.08 0.00 0.00 179.45 178.85 1nqd s ASP 950 N -6.52 3.23 -0.36 0.86 1.01 -1.21 -4.98 116.67 108.69 1nqd s ASP 950 Ca -0.04 -1.03 -0.28 0.00 0.71 0.00 0.00 52.55 51.91 1nqd s ASP 950 Cb 0.08 -0.24 -0.01 0.00 1.01 0.00 0.00 42.92 43.76 1nqd s ASP 950 CO 0.83 -0.03 1.74 -0.70 0.21 0.00 0.00 175.17 177.21 1nqd s GLU 951 N -3.56 3.35 0.22 8.23 2.56 -1.26 -4.82 118.70 123.42 1nqd s GLU 951 Ca 0.27 1.31 -0.23 0.00 0.00 0.00 0.00 54.97 56.33 1nqd s GLU 951 Cb -0.03 -4.18 0.04 0.00 2.00 0.00 0.00 34.13 31.96 1nqd s GLU 951 CO 0.12 -1.84 0.85 -0.59 -0.56 0.00 0.00 175.26 173.23 1nqd s PHE 952 N 6.73 -0.14 -0.62 5.30 -0.71 -1.26 -4.71 117.98 122.57 1nqd s PHE 952 Ca 0.76 -0.25 -0.22 0.00 -1.04 0.00 0.00 56.93 56.18 1nqd s PHE 952 Cb -0.21 0.68 0.07 0.00 -1.21 0.00 0.00 43.02 42.36 1nqd s PHE 952 CO 0.33 -1.05 0.88 0.20 -1.34 0.00 0.00 175.22 174.24 1nqd s GLY 953 N -2.95 1.50 0.00 1.99 0.00 -0.12 -4.99 107.32 102.75 1nqd s GLY 953 Ca 0.12 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1nqd s GLY 953 CO 0.05 1.90 -0.01 0.54 0.00 0.00 0.00 173.10 175.58 1nqd s VAL 954 N 3.62 0.06 0.00 1.40 0.11 -1.26 0.02 120.40 124.35 1nqd s VAL 954 Ca 0.20 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 1nqd s VAL 954 Cb -0.18 -0.08 0.00 0.00 -1.53 0.00 0.00 36.38 34.58 1nqd s VAL 954 CO 0.10 -0.05 0.00 1.07 -3.33 0.00 0.00 175.10 172.89 1nqd n THR 955 N 2.87 0.00 -3.53 5.04 5.66 -0.48 -4.95 114.28 118.89 1nqd n THR 955 Ca -0.14 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.75 1nqd n THR 955 Cb 0.59 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.34 1nqd n THR 955 CO 0.00 0.00 0.00 -1.66 -3.05 0.00 0.00 175.07 170.36 1nqd s TRP 956 N -3.72 -0.37 -0.05 1.09 1.48 -1.26 -1.16 118.94 114.95 1nqd s TRP 956 Ca 0.00 0.12 -0.00 0.00 -1.06 0.00 0.00 56.10 55.15 1nqd s TRP 956 Cb 0.00 0.40 0.03 0.00 -1.16 0.00 0.00 33.47 32.73 1nqd s TRP 956 CO 0.00 -0.76 -0.01 0.99 -4.06 0.00 0.00 176.95 173.11 1nqd s THR 957 N -3.70 0.34 -0.17 0.66 2.01 -0.12 -1.20 115.64 113.45 1nqd s THR 957 Ca 0.02 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 1nqd s THR 957 Cb 0.00 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 1nqd s THR 957 CO -0.12 0.22 0.10 -0.22 -0.69 0.00 0.00 174.62 173.91 1nqd s LEU 958 N 1.50 4.09 0.03 4.42 2.96 0.49 -0.61 118.68 131.56 1nqd s LEU 958 Ca -0.02 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1nqd s LEU 958 Cb -0.13 -2.03 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 1nqd s LEU 958 CO -0.03 0.24 0.10 -1.38 -1.32 0.00 0.00 176.35 173.95 1nqd s HIS 959 N -0.00 0.18 0.37 5.38 -3.43 0.13 -1.44 115.29 116.47 1nqd s HIS 959 Ca 0.08 -0.45 -0.21 0.00 -0.80 0.00 0.00 55.06 53.69 1nqd s HIS 959 Cb -0.12 -0.13 -0.10 0.00 -1.43 0.00 0.00 32.58 30.80 1nqd s HIS 959 CO 0.00 -0.34 0.88 -1.25 -2.00 0.00 0.00 174.74 172.03 1nqd s PRO 960 N -2.35 4.26 0.11 -0.38 0.04 -1.26 -0.41 135.00 135.01 1nqd s PRO 960 Ca -0.07 1.05 -0.22 0.00 0.04 0.00 0.00 61.00 61.80 1nqd s PRO 960 Cb -0.03 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 32.01 1nqd s PRO 960 CO -0.03 0.11 1.71 1.49 0.04 0.00 0.00 177.00 180.32 1nqd h GLU 961 N 2.38 -0.04 0.05 4.56 4.81 -1.21 -3.46 114.58 121.67 1nqd h GLU 961 Ca -0.48 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 1nqd h GLU 961 Cb 1.18 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 1nqd h GLU 961 CO 0.63 -0.03 -0.31 0.66 -0.73 0.00 0.00 179.01 179.23 1nqd h SER 962 N -0.04 -0.95 -4.86 1.04 4.64 -1.94 -3.52 113.55 107.92 1nqd h SER 962 Ca 0.05 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1nqd h SER 962 Cb 0.12 0.35 -0.05 0.00 -0.31 0.00 0.00 62.40 62.51 1nqd h SER 962 CO -0.12 -0.32 -1.20 0.54 -0.87 0.00 0.00 176.83 174.86 1nqd n ARG 967 N -4.22 -4.81 -3.51 4.77 5.12 -1.26 -5.24 116.66 107.51 1nqd n ARG 967 Ca -0.05 3.54 -0.34 0.00 -1.93 0.00 0.00 57.85 59.07 1nqd n ARG 967 Cb 0.24 -4.71 -0.05 0.00 -1.16 0.00 0.00 32.46 26.77 1nqd n ARG 967 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1nqd s ILE 968 N -0.60 5.02 -0.06 0.55 -1.09 -1.26 -4.60 121.20 119.16 1nqd s ILE 968 Ca -0.12 0.51 0.05 0.00 -2.23 0.00 0.00 60.65 58.86 1nqd s ILE 968 Cb 0.01 -3.66 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1nqd s ILE 968 CO 0.32 0.20 -0.23 -0.89 -1.23 0.00 0.00 174.94 173.10 1nqd s THR 969 N -1.50 1.94 0.07 2.92 2.01 -0.52 -4.98 115.64 115.59 1nqd s THR 969 Ca 0.37 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.43 1nqd s THR 969 Cb -0.14 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1nqd s THR 969 CO 0.19 0.54 -0.05 -0.31 -0.69 0.00 0.00 174.62 174.30 1nqd s TYR 970 N -0.05 2.88 0.44 4.92 4.12 -1.26 -0.38 117.35 128.02 1nqd s TYR 970 Ca -0.06 -0.07 -0.24 0.00 0.02 0.00 0.00 57.07 56.72 1nqd s TYR 970 Cb -0.14 -1.52 -0.08 0.00 -1.52 0.00 0.00 41.96 38.70 1nqd s TYR 970 CO 0.04 0.44 1.16 0.20 0.02 0.00 0.00 175.55 177.40 1nqd s GLY 971 N -2.06 2.79 -0.33 0.71 0.00 -0.34 -4.77 107.32 103.32 1nqd s GLY 971 Ca 0.22 0.92 -0.12 0.00 0.00 0.00 0.00 44.72 45.74 1nqd s GLY 971 CO 0.14 1.39 0.21 1.20 0.00 0.00 0.00 173.10 176.04 1nqd s GLN 972 N -2.58 3.46 -0.06 2.90 -1.52 0.03 -4.76 119.66 117.13 1nqd s GLN 972 Ca 0.61 -0.66 -0.27 0.00 -1.95 0.00 0.00 55.36 53.09 1nqd s GLN 972 Cb -0.28 -3.73 -0.03 0.00 -0.22 0.00 0.00 33.01 28.74 1nqd s GLN 972 CO 0.35 -0.43 0.88 0.08 -0.25 0.00 0.00 175.29 175.91 1nqd s VAL 973 N 1.69 4.92 -0.41 1.09 1.01 -1.26 -1.66 120.40 125.77 1nqd s VAL 973 Ca 0.06 1.81 0.04 0.00 0.00 0.00 0.00 61.98 63.88 1nqd s VAL 973 Cb -0.17 -4.21 0.17 0.00 0.00 0.00 0.00 36.38 32.17 1nqd s VAL 973 CO 0.09 0.15 0.43 -0.62 0.00 0.00 0.00 175.10 175.15 1nqd s ASP 974 N 0.97 0.82 1.69 3.32 -1.08 -0.07 -5.01 116.67 117.31 1nqd s ASP 974 Ca 0.45 -2.18 0.00 0.00 -0.52 0.00 0.00 52.55 50.30 1nqd s ASP 974 Cb -0.19 0.42 0.00 0.00 -1.46 0.00 0.00 42.92 41.69 1nqd s ASP 974 CO 0.22 -0.19 0.00 0.61 0.52 0.00 0.00 175.17 176.33 1nqd n GLY 975 N 3.47 2.62 0.01 2.66 0.00 -1.26 -2.15 105.19 110.53 1nqd n GLY 975 Ca 0.19 -0.28 0.15 0.00 0.00 0.00 0.00 46.02 46.09 1nqd n GLY 975 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nqd n ASN 976 N 5.70 0.03 -4.58 1.61 3.02 -1.26 -4.73 115.26 115.05 1nqd n ASN 976 Ca 0.00 -0.48 -0.34 0.00 -0.03 0.00 0.00 54.58 53.72 1nqd n ASN 976 Cb 0.00 -0.17 -0.11 0.00 -0.61 0.00 0.00 39.78 38.89 1nqd n ASN 976 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1nqd s LYS 977 N -2.35 3.25 -0.23 3.52 1.02 -0.91 0.26 119.74 124.28 1nqd s LYS 977 Ca 0.36 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.88 1nqd s LYS 977 Cb 0.21 -2.81 0.06 0.00 -0.52 0.00 0.00 37.83 34.76 1nqd s LYS 977 CO 0.43 0.49 -0.09 0.08 -0.92 0.00 0.00 175.35 175.34 1nqd s VAL 978 N -0.32 1.79 0.12 3.17 1.01 -0.10 -0.89 120.40 125.18 1nqd s VAL 978 Ca 0.06 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.74 1nqd s VAL 978 Cb -0.12 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 1nqd s VAL 978 CO 0.02 -0.00 -0.06 -0.44 0.00 0.00 0.00 175.10 174.62 1nqd s SER 979 N 1.29 1.26 0.11 3.32 0.01 -0.67 -0.72 113.70 118.30 1nqd s SER 979 Ca -0.06 -1.03 -0.26 0.00 1.31 0.00 0.00 55.95 55.91 1nqd s SER 979 Cb -0.19 0.08 0.07 0.00 0.21 0.00 0.00 66.02 66.20 1nqd s SER 979 CO -0.06 -0.46 0.85 0.21 0.41 0.00 0.00 173.24 174.18 1nqd s ASN 980 N -3.08 -0.32 -0.04 2.44 3.84 -0.56 -0.79 114.94 116.42 1nqd s ASN 980 Ca 0.15 -0.21 0.03 0.00 0.21 0.00 0.00 52.86 53.04 1nqd s ASN 980 Cb 0.05 0.49 0.00 0.00 -0.55 0.00 0.00 41.25 41.25 1nqd s ASN 980 CO -0.03 -0.86 -0.12 -0.75 -2.79 0.00 0.00 177.10 172.55 1nqd s LYS 981 N -3.37 1.43 -0.08 0.43 2.20 -1.26 -0.91 119.74 118.18 1nqd s LYS 981 Ca 0.07 -0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 55.16 1nqd s LYS 981 Cb -0.02 -1.25 0.02 0.00 -1.51 0.00 0.00 37.83 35.08 1nqd s LYS 981 CO -0.04 0.13 0.26 0.54 -0.36 0.00 0.00 175.35 175.88 1nqd s VAL 982 N 0.29 0.02 -0.19 4.02 0.11 -0.60 -4.97 120.40 119.07 1nqd s VAL 982 Ca -0.07 -0.14 -0.24 0.00 -2.93 0.00 0.00 61.98 58.61 1nqd s VAL 982 Cb -0.12 -0.42 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1nqd s VAL 982 CO 0.02 -0.08 0.77 -0.75 -3.33 0.00 0.00 175.10 171.73 1nqd s LYS 983 N -0.23 4.25 0.05 1.54 2.20 -1.26 -0.90 119.74 125.38 1nqd s LYS 983 Ca -0.03 0.88 0.09 0.00 -0.36 0.00 0.00 55.97 56.54 1nqd s LYS 983 Cb -0.03 -3.59 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1nqd s LYS 983 CO 0.01 -0.34 -0.24 -0.51 -0.36 0.00 0.00 175.35 173.91 1nqd s LEU 984 N 2.23 2.32 0.35 5.43 1.43 0.24 -4.95 118.68 125.74 1nqd s LEU 984 Ca 0.35 -0.55 -0.02 0.00 -1.03 0.00 0.00 54.13 52.88 1nqd s LEU 984 Cb -0.16 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1nqd s LEU 984 CO 0.11 0.25 0.59 -0.13 0.23 0.00 0.00 176.35 177.40 1nqd s ARG 985 N -1.35 3.53 0.55 1.70 0.52 -1.26 -1.16 118.95 121.47 1nqd s ARG 985 Ca 0.13 -0.15 -0.20 0.00 -0.52 0.00 0.00 55.73 54.99 1nqd s ARG 985 Cb -0.10 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.70 1nqd s ARG 985 CO 0.03 0.10 1.02 -2.30 0.02 0.00 0.00 175.30 174.18 1nqd n PRO 986 N -1.64 1.13 0.00 3.54 -0.02 -1.26 -4.79 135.00 131.96 1nqd n PRO 986 Ca -0.03 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1nqd n PRO 986 Cb 0.55 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1nqd n PRO 986 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqd n GLY 987 N 1.20 2.63 3.76 -1.23 0.00 -0.42 -4.94 105.19 106.18 1nqd n GLY 987 Ca 0.12 -1.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 1nqd n GLY 987 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nqd s LYS 988 N -1.80 4.12 0.00 1.61 2.20 -1.26 -0.78 119.74 123.83 1nqd s LYS 988 Ca 0.00 0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.83 1nqd s LYS 988 Cb 0.00 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1nqd s LYS 988 CO 0.00 0.37 -0.22 0.71 -0.36 0.00 0.00 175.35 175.85 1nqd s TYR 989 N 0.06 2.46 -0.17 4.03 1.51 -0.31 -0.60 117.35 124.33 1nqd s TYR 989 Ca 0.18 -0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 55.86 1nqd s TYR 989 Cb -0.14 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.19 1nqd s TYR 989 CO 0.06 0.12 0.00 0.71 -1.11 0.00 0.00 175.55 175.33 1nqd s TYR 990 N -0.76 3.11 -0.25 2.71 2.02 0.46 -1.88 117.35 122.76 1nqd s TYR 990 Ca 0.12 -0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.67 1nqd s TYR 990 Cb -0.10 -2.00 0.06 0.00 -0.40 0.00 0.00 41.96 39.52 1nqd s TYR 990 CO 0.02 0.03 -0.05 -1.17 -1.57 0.00 0.00 175.55 172.81 1nqd s LEU 991 N 0.38 2.83 -0.34 -1.29 2.96 0.20 -0.70 118.68 122.71 1nqd s LEU 991 Ca -0.01 -1.29 -0.17 0.00 -0.22 0.00 0.00 54.13 52.44 1nqd s LEU 991 Cb -0.13 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1nqd s LEU 991 CO 0.02 -0.24 0.46 -0.22 -1.32 0.00 0.00 176.35 175.04 1nqd s LEU 992 N 1.33 4.37 -0.20 -0.68 2.96 0.22 -0.39 118.68 126.28 1nqd s LEU 992 Ca -0.05 -0.09 -0.13 0.00 -0.22 0.00 0.00 54.13 53.65 1nqd s LEU 992 Cb -0.19 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 1nqd s LEU 992 CO -0.07 -0.42 0.24 -0.69 -1.32 0.00 0.00 176.35 174.09 1nqd s VAL 993 N 2.25 5.32 0.04 1.68 1.01 0.09 -0.94 120.40 129.85 1nqd s VAL 993 Ca 0.16 0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.45 1nqd s VAL 993 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1nqd s VAL 993 CO 0.13 0.35 0.17 -0.72 0.00 0.00 0.00 175.10 175.03 1nqd s TYR 994 N 0.84 0.08 0.28 5.22 -0.85 -0.31 -0.59 117.35 122.03 1nqd s TYR 994 Ca 0.13 -0.31 0.08 0.00 -0.52 0.00 0.00 57.07 56.45 1nqd s TYR 994 Cb -0.13 -0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.12 1nqd s TYR 994 CO 0.04 -0.41 0.16 -1.59 -1.52 0.00 0.00 175.55 172.23 1nqd s LYS 995 N -2.49 2.66 0.00 -3.49 -2.85 -0.52 -1.39 119.74 111.67 1nqd s LYS 995 Ca -0.06 -1.26 0.00 0.00 -1.00 0.00 0.00 55.97 53.65 1nqd s LYS 995 Cb -0.02 -2.39 0.00 0.00 -2.06 0.00 0.00 37.83 33.36 1nqd s LYS 995 CO -0.04 0.29 0.22 2.48 0.10 0.00 0.00 175.35 178.40 1nqd n TYR 996 N -1.15 0.00 -3.60 1.78 0.18 0.10 -4.97 117.16 109.51 1nqd n TYR 996 Ca -0.06 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.62 1nqd n TYR 996 Cb 0.59 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.49 1nqd n TYR 996 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 1nqd s SER 997 N -0.12 -0.42 0.43 9.48 1.04 -1.12 -4.94 113.70 118.05 1nqd s SER 997 Ca 0.00 0.63 0.00 0.00 0.48 0.00 0.00 55.95 57.06 1nqd s SER 997 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1nqd s SER 997 CO 0.00 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.55 1nqd n GLY 998 N 1.38 -0.59 3.34 7.32 0.00 -1.26 -0.94 105.19 114.43 1nqd n GLY 998 Ca -0.12 -1.12 -0.15 0.00 0.00 0.00 0.00 46.02 44.63 1nqd n GLY 998 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqd s SER 999 N -4.00 -0.36 0.00 1.61 0.01 -1.26 -4.79 113.70 104.91 1nqd s SER 999 Ca 0.00 0.29 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1nqd s SER 999 Cb 0.00 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1nqd s SER 999 CO 0.00 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.73 1nqd n GLY 1000N 1.06 -1.88 3.80 3.44 0.00 -1.11 -4.68 105.19 105.82 1nqd n GLY 1000Ca -0.20 -1.18 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 1nqd n GLY 1000CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nqd s ASN 1001N -2.06 5.43 0.19 1.61 0.01 -1.26 -0.21 114.94 118.64 1nqd s ASN 1001Ca 0.00 -0.26 -0.12 0.00 -0.71 0.00 0.00 52.86 51.77 1nqd s ASN 1001Cb 0.00 -1.36 0.00 0.00 0.41 0.00 0.00 41.25 40.30 1nqd s ASN 1001CO 0.00 -0.01 0.38 -0.72 -1.51 0.00 0.00 177.10 175.24 1nqd s TYR 1002N -2.06 0.24 0.13 2.20 -0.85 -0.41 -0.67 117.35 115.93 1nqd s TYR 1002Ca 0.32 -0.60 0.11 0.00 -0.52 0.00 0.00 57.07 56.38 1nqd s TYR 1002Cb -0.08 0.11 -0.04 0.00 0.38 0.00 0.00 41.96 42.33 1nqd s TYR 1002CO 0.24 -0.82 -0.26 -1.21 -1.52 0.00 0.00 175.55 171.98 1nqd s GLU 1003N -3.95 1.37 -0.08 -3.49 2.02 -0.19 -1.26 118.70 113.12 1nqd s GLU 1003Ca 0.16 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.81 1nqd s GLU 1003Cb 0.01 -1.83 0.02 0.00 0.10 0.00 0.00 34.13 32.44 1nqd s GLU 1003CO 0.01 0.43 -0.07 -1.17 0.02 0.00 0.00 175.26 174.47 1nqd s LEU 1004N -2.09 1.25 -0.27 1.80 2.96 0.12 -0.26 118.68 122.19 1nqd s LEU 1004Ca 0.14 -0.24 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 1nqd s LEU 1004Cb -0.10 -0.72 0.07 0.00 0.50 0.00 0.00 46.19 45.94 1nqd s LEU 1004CO 0.06 -0.08 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.84 1nqd s ARG 1005N 1.35 1.72 -0.34 1.98 0.52 0.60 -0.80 118.95 123.98 1nqd s ARG 1005Ca -0.03 -1.27 -0.13 0.00 -0.52 0.00 0.00 55.73 53.79 1nqd s ARG 1005Cb -0.14 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.56 1nqd s ARG 1005CO -0.03 -0.68 0.24 0.08 0.02 0.00 0.00 175.30 174.92 1nqd s VAL 1006N 1.23 5.27 0.25 3.52 1.01 -1.26 -0.81 120.40 129.61 1nqd s VAL 1006Ca -0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 1nqd s VAL 1006Cb -0.19 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1nqd s VAL 1006CO -0.08 0.01 0.33 0.54 0.00 0.00 0.00 175.10 175.90 1nqd s ASN 1007N 1.72 0.35 0.00 3.32 6.03 0.11 -4.32 114.94 122.16 1nqd s ASN 1007Ca 0.06 -1.29 0.01 0.00 -1.03 0.00 0.00 52.86 50.61 1nqd s ASN 1007Cb -0.17 0.52 0.01 0.00 -3.03 0.00 0.00 41.25 38.58 1nqd s ASN 1007CO 0.10 -1.05 0.54 0.29 -2.03 0.00 0.00 177.10 174.95