#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ow6 s SER 910 N 0.00 4.58 0.89 9.51 1.04 -1.26 -5.14 113.70 123.32 1ow6 s SER 910 Ca 0.00 -0.70 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 1ow6 s SER 910 Cb 0.00 -0.80 0.12 0.00 0.10 0.00 0.00 66.02 65.44 1ow6 s SER 910 CO 0.00 -0.10 1.10 -2.84 0.98 0.00 0.00 173.24 172.38 1ow6 s PRO 911 N -3.73 1.32 0.52 4.02 0.02 -1.26 -4.98 135.00 130.91 1ow6 s PRO 911 Ca 0.33 0.60 -0.21 0.00 0.02 0.00 0.00 61.00 61.74 1ow6 s PRO 911 Cb -0.05 -1.83 -0.07 0.00 0.02 0.00 0.00 34.50 32.57 1ow6 s PRO 911 CO 0.21 -2.14 1.01 -2.30 -0.33 0.00 0.00 177.00 173.44 1ow6 n PRO 912 N -3.78 1.17 -1.49 5.54 -0.02 -1.26 -4.85 135.00 130.31 1ow6 n PRO 912 Ca 0.07 0.43 -0.47 0.00 -2.02 0.00 0.00 63.50 61.51 1ow6 n PRO 912 Cb 0.57 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1ow6 n PRO 912 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1ow6 n PRO 913 N -0.49 0.60 -1.54 0.52 -0.02 -1.26 -4.79 135.00 128.02 1ow6 n PRO 913 Ca 0.11 0.21 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 1ow6 n PRO 913 Cb 0.44 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1ow6 n PRO 913 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1ow6 n THR 914 N 0.30 2.09 0.79 3.45 5.66 -1.26 -4.87 114.28 120.44 1ow6 n THR 914 Ca 0.15 -0.50 0.11 0.00 -3.05 0.00 0.00 64.05 60.76 1ow6 n THR 914 Cb 0.27 -0.84 0.29 0.00 -1.55 0.00 0.00 70.33 68.50 1ow6 n THR 914 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ow6 n ALA 915 N -0.44 2.47 -0.09 1.79 0.00 -1.26 -4.03 120.51 118.95 1ow6 n ALA 915 Ca 0.11 -0.75 0.03 0.00 0.00 0.00 0.00 53.44 52.83 1ow6 n ALA 915 Cb 0.37 -0.98 0.23 0.00 0.00 0.00 0.00 19.45 19.06 1ow6 n ALA 915 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1ow6 n ASN 916 N 0.89 3.71 -4.03 0.00 3.02 -1.26 -4.81 115.26 112.78 1ow6 n ASN 916 Ca 0.17 -2.55 -0.19 0.00 -0.03 0.00 0.00 54.58 51.98 1ow6 n ASN 916 Cb 0.46 -0.61 -0.15 0.00 -0.61 0.00 0.00 39.78 38.87 1ow6 n ASN 916 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ow6 s LEU 917 N -1.59 2.02 0.13 3.41 1.43 -1.26 -5.07 118.68 117.75 1ow6 s LEU 917 Ca 0.31 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 1ow6 s LEU 917 Cb 0.24 -0.48 -0.07 0.00 0.03 0.00 0.00 46.19 45.91 1ow6 s LEU 917 CO 0.09 0.11 1.18 -0.62 0.23 0.00 0.00 176.35 177.35 1ow6 s ASP 918 N -0.22 7.11 0.00 2.29 2.15 -1.26 -4.97 116.67 121.77 1ow6 s ASP 918 Ca 0.04 2.12 0.14 0.00 0.43 0.00 0.00 52.55 55.28 1ow6 s ASP 918 Cb -0.04 -2.59 0.30 0.00 -0.30 0.00 0.00 42.92 40.29 1ow6 s ASP 918 CO -0.00 -0.39 1.20 0.54 -0.17 0.00 0.00 175.17 176.34 1ow6 n ARG 919 N 3.11 2.15 0.13 4.34 5.12 -1.26 -4.46 116.66 125.79 1ow6 n ARG 919 Ca 0.06 -1.90 0.01 0.00 -1.93 0.00 0.00 57.85 54.09 1ow6 n ARG 919 Cb 0.46 -1.33 0.03 0.00 -1.16 0.00 0.00 32.46 30.46 1ow6 n ARG 919 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1ow6 h SER 920 N 2.78 0.00 -0.59 0.55 4.64 -2.07 -3.06 113.55 115.80 1ow6 h SER 920 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1ow6 h SER 920 Cb 0.73 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.63 1ow6 h SER 920 CO 0.00 0.56 0.13 0.59 -0.87 0.00 0.00 176.83 177.24 1ow6 n ASN 921 N -3.27 3.28 -4.13 4.97 3.02 -1.26 -4.94 115.26 112.93 1ow6 n ASN 921 Ca 0.02 -3.75 -0.37 0.00 -0.03 0.00 0.00 54.58 50.44 1ow6 n ASN 921 Cb 0.74 -0.70 -0.10 0.00 -0.61 0.00 0.00 39.78 39.11 1ow6 n ASN 921 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ow6 s ASP 922 N -2.23 5.36 0.15 6.41 -1.08 -1.16 -4.88 116.67 119.24 1ow6 s ASP 922 Ca 0.50 -2.36 0.00 0.00 -0.52 0.00 0.00 52.55 50.17 1ow6 s ASP 922 Cb 0.43 -1.88 -0.05 0.00 -1.46 0.00 0.00 42.92 39.96 1ow6 s ASP 922 CO 0.03 -0.50 1.34 0.50 0.52 0.00 0.00 175.17 177.06 1ow6 h LYS 923 N 7.70 0.25 -0.09 4.34 3.11 -1.92 -2.41 116.57 127.55 1ow6 h LYS 923 Ca -0.09 -0.28 0.02 0.00 -2.81 0.00 0.00 60.65 57.49 1ow6 h LYS 923 Cb 1.01 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 32.31 1ow6 h LYS 923 CO 0.73 1.01 -0.02 0.28 -2.81 0.00 0.00 179.45 178.64 1ow6 h VAL 924 N 0.13 0.91 -0.39 2.00 2.07 -1.92 0.11 116.25 119.16 1ow6 h VAL 924 Ca -0.06 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.54 1ow6 h VAL 924 Cb 1.56 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 32.16 1ow6 h VAL 924 CO 0.15 0.00 -0.19 0.22 0.02 0.00 0.00 177.57 177.77 1ow6 h TYR 925 N -0.00 -0.47 -0.63 1.57 5.03 -1.94 -0.38 116.97 120.15 1ow6 h TYR 925 Ca 0.04 0.04 0.10 0.00 2.58 0.00 0.00 58.73 61.49 1ow6 h TYR 925 Cb 0.07 0.27 -0.07 0.00 1.55 0.00 0.00 36.73 38.54 1ow6 h TYR 925 CO -0.14 -0.27 0.24 1.49 -1.32 0.00 0.00 178.16 178.16 1ow6 h GLU 926 N -0.12 0.42 -0.18 1.82 4.81 -1.23 -0.53 114.58 119.56 1ow6 h GLU 926 Ca 0.19 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 1ow6 h GLU 926 Cb 0.41 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 1ow6 h GLU 926 CO -0.46 0.28 -0.60 -0.91 -0.73 0.00 0.00 179.01 176.58 1ow6 h ASN 927 N 0.43 0.69 -0.76 1.04 2.35 -0.33 -0.98 115.58 118.01 1ow6 h ASN 927 Ca 0.32 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 1ow6 h ASN 927 Cb 0.39 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1ow6 h ASN 927 CO -0.31 1.13 0.33 0.58 -1.65 0.00 0.00 177.43 177.51 1ow6 h VAL 928 N 0.45 1.25 -0.71 2.81 2.07 -0.56 -1.79 116.25 119.77 1ow6 h VAL 928 Ca -0.00 -0.76 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1ow6 h VAL 928 Cb 1.17 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1ow6 h VAL 928 CO 0.12 0.31 0.30 0.74 0.02 0.00 0.00 177.57 179.06 1ow6 h THR 929 N 1.09 1.24 0.00 2.57 2.02 -0.97 0.81 112.91 119.67 1ow6 h THR 929 Ca 0.26 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1ow6 h THR 929 Cb 0.18 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 66.99 1ow6 h THR 929 CO -0.03 0.30 0.00 0.61 0.37 0.00 0.00 175.52 176.77 1ow6 n GLY 930 N -0.89 -1.22 0.15 2.16 0.00 -0.38 -1.08 105.19 103.93 1ow6 n GLY 930 Ca 0.06 -0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 1ow6 n GLY 930 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ow6 n LEU 931 N -1.74 2.56 -0.23 0.99 7.94 -0.73 -3.18 117.00 122.61 1ow6 n LEU 931 Ca 0.04 0.03 -0.06 0.00 -1.11 0.00 0.00 56.01 54.91 1ow6 n LEU 931 Cb 0.24 -0.80 0.04 0.00 0.53 0.00 0.00 43.42 43.43 1ow6 n LEU 931 CO 0.19 0.77 1.10 0.58 -1.11 0.00 0.00 177.39 178.92 1ow6 h VAL 932 N -0.32 1.19 -0.13 1.96 2.07 -0.78 -2.36 116.25 117.87 1ow6 h VAL 932 Ca -0.57 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 1ow6 h VAL 932 Cb 1.73 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1ow6 h VAL 932 CO -0.19 0.20 -0.14 0.11 0.02 0.00 0.00 177.57 177.57 1ow6 h LYS 933 N 0.87 0.21 0.00 1.57 1.57 -1.26 0.78 116.57 120.31 1ow6 h LYS 933 Ca 0.23 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 1ow6 h LYS 933 Cb -0.01 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1ow6 h LYS 933 CO -0.04 0.36 -0.45 0.00 -0.57 0.00 0.00 179.45 178.75 1ow6 h ALA 934 N 1.66 1.05 -0.32 3.86 0.00 -1.49 -0.35 119.26 123.68 1ow6 h ALA 934 Ca 0.04 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1ow6 h ALA 934 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ow6 h ALA 934 CO 0.02 0.56 -0.39 0.28 0.00 0.00 0.00 179.25 179.72 1ow6 h VAL 935 N 0.00 1.28 -0.17 0.00 2.07 -0.36 -2.57 116.25 116.51 1ow6 h VAL 935 Ca -0.00 -1.57 -0.15 0.00 0.82 0.00 0.00 66.70 65.80 1ow6 h VAL 935 Cb 0.91 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1ow6 h VAL 935 CO 0.06 0.51 -0.53 0.40 0.02 0.00 0.00 177.57 178.03 1ow6 h ILE 936 N 0.64 1.33 0.23 4.57 2.04 -0.55 -2.57 117.51 123.20 1ow6 h ILE 936 Ca 0.05 -1.78 -0.01 0.00 1.00 0.00 0.00 64.86 64.12 1ow6 h ILE 936 Cb 0.95 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 38.80 1ow6 h ILE 936 CO 0.09 0.55 -0.11 -0.08 0.00 0.00 0.00 178.15 178.60 1ow6 h GLU 937 N 0.39 -0.30 -0.58 2.37 4.57 -1.03 -2.15 114.58 117.85 1ow6 h GLU 937 Ca 0.01 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.33 1ow6 h GLU 937 Cb 1.06 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.69 1ow6 h GLU 937 CO 0.10 -0.01 0.39 1.98 -1.18 0.00 0.00 179.01 180.30 1ow6 h MET 938 N -0.60 0.25 0.00 1.92 4.05 -1.44 -1.69 114.93 117.42 1ow6 h MET 938 Ca -0.03 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1ow6 h MET 938 Cb 0.43 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1ow6 h MET 938 CO 0.05 0.16 -0.78 -1.13 0.23 0.00 0.00 176.91 175.45 1ow6 n SER 939 N -4.45 0.63 0.02 1.39 3.41 -0.97 -2.47 113.62 111.18 1ow6 n SER 939 Ca 0.10 -0.24 0.12 0.00 -0.26 0.00 0.00 58.87 58.58 1ow6 n SER 939 Cb 0.46 0.52 0.14 0.00 -0.26 0.00 0.00 64.21 65.08 1ow6 n SER 939 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ow6 n SER 940 N -1.79 0.61 -0.02 4.04 3.41 -0.69 -4.27 113.62 114.92 1ow6 n SER 940 Ca 0.04 -0.18 0.05 0.00 -0.26 0.00 0.00 58.87 58.52 1ow6 n SER 940 Cb 0.39 0.42 -0.12 0.00 -0.26 0.00 0.00 64.21 64.64 1ow6 n SER 940 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ow6 n LYS 941 N -1.80 0.64 0.28 4.33 4.76 -0.88 -4.77 118.16 120.73 1ow6 n LYS 941 Ca 0.04 -0.12 0.18 0.00 -2.87 0.00 0.00 58.31 55.54 1ow6 n LYS 941 Cb 0.39 -1.36 0.73 0.00 -1.84 0.00 0.00 35.03 32.95 1ow6 n LYS 941 CO 0.00 0.00 0.00 0.97 -1.37 0.00 0.00 177.40 177.00 1ow6 h ILE 942 N 0.00 0.01 0.10 -0.18 2.10 -1.66 -3.28 117.51 114.60 1ow6 h ILE 942 Ca -0.06 -0.48 -0.00 0.00 1.08 0.00 0.00 64.86 65.40 1ow6 h ILE 942 Cb 0.87 1.47 0.00 0.00 -1.09 0.00 0.00 36.82 38.07 1ow6 h ILE 942 CO 0.00 0.00 -0.05 -0.61 -1.08 0.00 0.00 178.15 176.42 1ow6 h GLN 943 N 0.00 -0.13 0.00 2.19 4.15 -1.87 -2.92 115.11 116.53 1ow6 h GLN 943 Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 1ow6 h GLN 943 Cb 0.47 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.19 1ow6 h GLN 943 CO 0.00 0.05 -0.24 -1.00 -1.93 0.00 0.00 178.83 175.71 1ow6 h PRO 944 N -0.29 0.00 -6.79 -2.39 0.13 -1.97 -3.48 132.00 117.21 1ow6 h PRO 944 Ca -0.01 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.56 1ow6 h PRO 944 Cb 0.24 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.47 1ow6 h PRO 944 CO 0.02 0.00 0.65 0.00 -0.23 0.00 0.00 178.00 178.44 1ow6 n ALA 945 N -1.85 1.78 -2.68 -0.56 0.00 -1.10 -5.03 120.51 111.07 1ow6 n ALA 945 Ca 0.04 0.36 -0.21 0.00 0.00 0.00 0.00 53.44 53.64 1ow6 n ALA 945 Cb 0.45 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 1ow6 n ALA 945 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ow6 s PRO 946 N -1.58 3.29 0.32 0.00 0.04 -1.26 -4.89 135.00 130.91 1ow6 s PRO 946 Ca 0.57 -0.76 0.09 0.00 0.04 0.00 0.00 61.00 60.95 1ow6 s PRO 946 Cb -0.54 -2.80 0.90 0.00 0.04 0.00 0.00 34.50 32.10 1ow6 s PRO 946 CO 0.59 0.18 1.69 -1.35 0.04 0.00 0.00 177.00 178.16 1ow6 h PRO 947 N 0.93 0.42 -0.89 0.56 0.11 -1.95 0.33 132.00 131.50 1ow6 h PRO 947 Ca -0.49 -0.03 0.23 0.00 0.11 0.00 0.00 66.00 65.83 1ow6 h PRO 947 Cb 1.24 -0.09 -0.13 0.00 0.11 0.00 0.00 31.00 32.12 1ow6 h PRO 947 CO 0.58 0.28 0.33 0.93 -0.21 0.00 0.00 178.00 179.90 1ow6 h GLU 948 N 0.43 0.30 0.04 1.05 3.07 -2.00 -0.47 114.58 117.00 1ow6 h GLU 948 Ca 0.65 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1ow6 h GLU 948 Cb 1.32 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.16 1ow6 h GLU 948 CO -0.54 0.20 -0.02 0.93 -1.40 0.00 0.00 179.01 178.17 1ow6 h GLU 949 N 0.30 -0.06 0.00 2.33 5.08 -0.74 -3.39 114.58 118.10 1ow6 h GLU 949 Ca 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.92 1ow6 h GLU 949 Cb 1.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ow6 h GLU 949 CO -0.59 0.46 -0.35 2.48 -1.00 0.00 0.00 179.01 180.01 1ow6 n TYR 950 N -4.75 0.67 -0.14 4.33 0.18 -1.02 -2.78 117.16 113.66 1ow6 n TYR 950 Ca -0.06 0.20 -0.11 0.00 1.88 0.00 0.00 57.90 59.80 1ow6 n TYR 950 Cb 0.26 -0.75 -0.01 0.00 -0.38 0.00 0.00 39.34 38.46 1ow6 n TYR 950 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 1ow6 h VAL 951 N 0.00 1.27 -0.43 -3.48 2.07 -1.30 -2.28 116.25 112.10 1ow6 h VAL 951 Ca 0.00 -1.19 -0.07 0.00 0.82 0.00 0.00 66.70 66.26 1ow6 h VAL 951 Cb 0.73 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.68 1ow6 h VAL 951 CO 0.00 0.40 -0.04 -0.65 0.02 0.00 0.00 177.57 177.31 1ow6 h PRO 952 N 0.60 0.71 -0.31 1.57 0.11 -1.74 -1.88 132.00 131.07 1ow6 h PRO 952 Ca 0.10 -0.20 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 1ow6 h PRO 952 Cb 0.62 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.64 1ow6 h PRO 952 CO 0.04 0.75 0.13 0.52 -0.21 0.00 0.00 178.00 179.23 1ow6 h MET 953 N 0.66 0.42 -0.07 1.05 2.86 -1.33 0.10 114.93 118.62 1ow6 h MET 953 Ca 0.13 -0.05 -0.20 0.00 -2.06 0.00 0.00 59.70 57.52 1ow6 h MET 953 Cb 0.46 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 1ow6 h MET 953 CO 0.02 0.35 -0.78 0.28 1.06 0.00 0.00 176.91 177.84 1ow6 h VAL 954 N 0.43 1.37 -0.63 -2.22 2.07 -1.27 -3.12 116.25 112.88 1ow6 h VAL 954 Ca 0.11 -2.17 0.00 0.00 0.82 0.00 0.00 66.70 65.46 1ow6 h VAL 954 Cb 0.08 2.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1ow6 h VAL 954 CO -0.01 0.66 0.41 0.50 0.02 0.00 0.00 177.57 179.15 1ow6 h LYS 955 N 0.31 0.84 -0.93 1.57 1.63 -0.01 -1.40 116.57 118.57 1ow6 h LYS 955 Ca -0.04 -0.06 0.08 0.00 -0.85 0.00 0.00 60.65 59.78 1ow6 h LYS 955 Cb 1.38 -0.19 -0.07 0.00 -0.60 0.00 0.00 32.23 32.75 1ow6 h LYS 955 CO 0.14 0.57 0.58 0.93 -3.45 0.00 0.00 179.45 178.22 1ow6 h GLU 956 N 0.86 0.99 -0.34 1.90 4.39 -1.17 0.35 114.58 121.56 1ow6 h GLU 956 Ca 0.23 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.79 1ow6 h GLU 956 Cb -0.08 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.33 1ow6 h GLU 956 CO -0.05 0.65 -0.12 0.28 -1.16 0.00 0.00 179.01 178.61 1ow6 h VAL 957 N 1.02 1.24 -0.36 3.13 2.07 -1.22 0.18 116.25 122.30 1ow6 h VAL 957 Ca 0.43 -1.07 -0.15 0.00 0.82 0.00 0.00 66.70 66.73 1ow6 h VAL 957 Cb 0.27 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1ow6 h VAL 957 CO -0.21 0.36 -0.36 1.23 0.02 0.00 0.00 177.57 178.61 1ow6 h GLY 958 N 0.95 0.91 0.93 2.17 0.00 -0.36 0.39 103.07 108.06 1ow6 h GLY 958 Ca 0.10 -0.90 -0.08 0.00 0.00 0.00 0.00 47.33 46.45 1ow6 h GLY 958 CO 0.03 0.81 -0.11 1.41 0.00 0.00 0.00 176.54 178.68 1ow6 h LEU 959 N 0.69 0.67 -1.12 3.11 3.38 -0.65 -1.00 115.31 120.39 1ow6 h LEU 959 Ca 0.06 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1ow6 h LEU 959 Cb 0.93 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 1ow6 h LEU 959 CO 0.09 0.90 -0.04 0.00 0.09 0.00 0.00 178.44 179.48 1ow6 h ALA 960 N 0.79 1.28 -0.32 1.53 0.00 -0.83 -1.78 119.26 119.93 1ow6 h ALA 960 Ca 0.08 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1ow6 h ALA 960 Cb 0.63 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ow6 h ALA 960 CO 0.04 0.48 -0.36 1.25 0.00 0.00 0.00 179.25 180.66 1ow6 h LEU 961 N 0.54 0.87 -0.12 0.00 5.85 -0.65 -2.89 115.31 118.91 1ow6 h LEU 961 Ca 0.11 -0.48 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1ow6 h LEU 961 Cb 0.40 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1ow6 h LEU 961 CO 0.02 1.17 -0.02 0.03 -0.34 0.00 0.00 178.44 179.30 1ow6 h ARG 962 N 0.58 0.23 -0.82 1.25 3.08 -0.70 0.26 114.38 118.26 1ow6 h ARG 962 Ca 0.04 -0.09 0.16 0.00 0.07 0.00 0.00 59.98 60.17 1ow6 h ARG 962 Cb 0.95 -0.01 -0.16 0.00 0.08 0.00 0.00 29.97 30.83 1ow6 h ARG 962 CO 0.09 0.52 -0.22 1.15 -1.07 0.00 0.00 179.97 180.44 1ow6 h THR 963 N -0.08 0.17 -0.47 2.04 2.02 -1.46 0.21 112.91 115.35 1ow6 h THR 963 Ca 0.03 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.10 1ow6 h THR 963 Cb 0.43 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 1ow6 h THR 963 CO 0.01 0.00 -0.14 0.25 0.37 0.00 0.00 175.52 176.01 1ow6 h LEU 964 N -0.01 0.89 -0.93 2.58 5.85 -1.16 -2.25 115.31 120.29 1ow6 h LEU 964 Ca 0.39 -0.30 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 1ow6 h LEU 964 Cb 0.60 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1ow6 h LEU 964 CO -0.85 1.03 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.01 1ow6 h LEU 965 N 0.79 0.55 0.77 2.25 3.38 0.12 -1.62 115.31 121.56 1ow6 h LEU 965 Ca 0.12 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1ow6 h LEU 965 Cb 0.67 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ow6 h LEU 965 CO 0.05 0.76 -0.46 0.00 0.09 0.00 0.00 178.44 178.87 1ow6 h ALA 966 N 1.29 -1.20 -0.99 1.53 0.00 -0.55 -0.08 119.26 119.26 1ow6 h ALA 966 Ca 0.08 -0.24 0.22 0.00 0.00 0.00 0.00 54.91 54.96 1ow6 h ALA 966 Cb 0.63 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 1ow6 h ALA 966 CO 0.04 -1.19 0.62 1.15 0.00 0.00 0.00 179.25 179.88 1ow6 h THR 967 N -1.16 0.64 -0.09 0.00 2.02 -1.29 0.23 112.91 113.26 1ow6 h THR 967 Ca -0.10 -0.21 -0.17 0.00 0.77 0.00 0.00 66.41 66.70 1ow6 h THR 967 Cb 0.93 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 1ow6 h THR 967 CO 0.11 0.11 -0.67 0.58 0.37 0.00 0.00 175.52 176.02 1ow6 h VAL 968 N 0.60 1.37 -0.76 3.16 2.07 -0.82 -2.24 116.25 119.64 1ow6 h VAL 968 Ca 0.57 -2.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.03 1ow6 h VAL 968 Cb 1.12 2.03 -0.04 0.00 -1.52 0.00 0.00 31.29 32.88 1ow6 h VAL 968 CO -0.34 0.62 0.43 0.44 0.02 0.00 0.00 177.57 178.74 1ow6 h ASP 969 N 0.27 0.92 -0.04 0.57 3.32 0.13 -1.51 116.42 120.09 1ow6 h ASP 969 Ca -0.02 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.96 1ow6 h ASP 969 Cb 1.22 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.54 1ow6 h ASP 969 CO 0.11 0.73 0.00 -0.62 -1.72 0.00 0.00 179.24 177.75 1ow6 n GLU 970 N -4.36 1.17 -0.02 3.56 1.02 -0.30 -3.76 120.64 117.94 1ow6 n GLU 970 Ca 0.08 -0.26 -0.01 0.00 -0.02 0.00 0.00 57.16 56.94 1ow6 n GLU 970 Cb 0.09 -1.31 -0.05 0.00 -0.02 0.00 0.00 31.44 30.15 1ow6 n GLU 970 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1ow6 n THR 971 N -0.52 0.32 -0.23 2.62 -1.04 -0.64 -4.72 114.28 110.07 1ow6 n THR 971 Ca 0.14 -0.24 0.04 0.00 -2.04 0.00 0.00 64.05 61.95 1ow6 n THR 971 Cb 0.12 -0.51 0.16 0.00 -1.82 0.00 0.00 70.33 68.28 1ow6 n THR 971 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1ow6 h ILE 972 N 0.00 0.53 0.00 12.58 2.04 -1.46 -2.14 117.51 129.06 1ow6 h ILE 972 Ca -0.13 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1ow6 h ILE 972 Cb 1.10 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1ow6 h ILE 972 CO 0.01 0.04 -0.05 -0.65 0.00 0.00 0.00 178.15 177.51 1ow6 h PRO 973 N 0.24 0.00 0.00 2.37 0.11 -1.84 0.29 132.00 133.17 1ow6 h PRO 973 Ca 0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1ow6 h PRO 973 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1ow6 h PRO 973 CO -0.50 0.05 0.00 1.28 -0.21 0.00 0.00 178.00 178.62 1ow6 n LEU 974 N -3.47 0.00 -4.89 2.35 4.77 -0.80 -4.87 117.00 110.08 1ow6 n LEU 974 Ca -0.02 0.42 -0.21 0.00 -0.03 0.00 0.00 56.01 56.16 1ow6 n LEU 974 Cb 0.16 -0.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.80 1ow6 n LEU 974 CO 0.26 -0.01 -0.10 -0.76 -1.33 0.00 0.00 177.39 175.46 1ow6 s LEU 975 N -2.83 4.01 0.29 2.23 1.43 0.09 -5.00 118.68 118.90 1ow6 s LEU 975 Ca 0.19 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 1ow6 s LEU 975 Cb 0.19 -2.56 -0.12 0.00 0.03 0.00 0.00 46.19 43.73 1ow6 s LEU 975 CO 0.50 -0.09 1.54 -2.65 0.23 0.00 0.00 176.35 175.88 1ow6 n PRO 976 N -1.31 2.54 -0.15 1.29 -0.02 -1.26 -4.85 135.00 131.25 1ow6 n PRO 976 Ca -0.08 0.90 0.19 0.00 -2.02 0.00 0.00 63.50 62.50 1ow6 n PRO 976 Cb 0.58 -2.65 0.58 0.00 -0.02 0.00 0.00 33.50 31.98 1ow6 n PRO 976 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ow6 h ALA 977 N 4.53 2.32 0.00 3.55 0.00 -1.95 0.22 119.26 127.92 1ow6 h ALA 977 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1ow6 h ALA 977 Cb 1.24 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ow6 h ALA 977 CO 0.77 -0.53 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 1ow6 n SER 978 N -4.44 0.00 -0.08 0.00 3.41 -1.26 -2.26 113.62 109.00 1ow6 n SER 978 Ca 0.15 0.35 0.02 0.00 -0.26 0.00 0.00 58.87 59.13 1ow6 n SER 978 Cb 0.64 -0.38 -0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1ow6 n SER 978 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1ow6 n THR 979 N -1.38 0.00 0.28 6.66 -2.24 0.06 -4.67 114.28 113.00 1ow6 n THR 979 Ca 0.01 -0.45 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1ow6 n THR 979 Cb 0.04 1.04 0.82 0.00 -2.10 0.00 0.00 70.33 70.13 1ow6 n THR 979 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1ow6 h HIS 980 N 0.39 0.00 0.02 4.78 3.86 -1.47 -2.98 115.15 119.75 1ow6 h HIS 980 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 1ow6 h HIS 980 Cb 0.13 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.61 1ow6 h HIS 980 CO 0.00 0.03 -0.35 -0.09 0.86 0.00 0.00 177.93 178.38 1ow6 h ARG 981 N 0.00 0.20 -0.37 2.45 9.65 -1.83 -2.45 114.38 122.03 1ow6 h ARG 981 Ca -0.00 -0.25 0.07 0.00 -1.10 0.00 0.00 59.98 58.70 1ow6 h ARG 981 Cb 0.08 0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.68 1ow6 h ARG 981 CO 0.00 1.01 0.01 1.49 2.80 0.00 0.00 179.97 185.28 1ow6 h GLU 982 N -0.50 0.11 -0.71 0.20 4.81 -1.85 -0.78 114.58 115.86 1ow6 h GLU 982 Ca -0.05 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1ow6 h GLU 982 Cb 1.15 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.47 1ow6 h GLU 982 CO 0.07 0.07 0.36 0.82 -0.73 0.00 0.00 179.01 179.60 1ow6 h ILE 983 N 0.11 1.22 -0.22 2.32 2.04 -1.64 0.54 117.51 121.88 1ow6 h ILE 983 Ca 0.18 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 1ow6 h ILE 983 Cb 0.25 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 1ow6 h ILE 983 CO -0.30 0.26 -0.32 -0.33 0.00 0.00 0.00 178.15 177.46 1ow6 h GLU 984 N 1.01 0.46 0.04 2.37 5.08 -0.86 -1.30 114.58 121.38 1ow6 h GLU 984 Ca 0.25 -0.20 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1ow6 h GLU 984 Cb 0.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ow6 h GLU 984 CO -0.04 0.73 -0.02 0.52 -1.00 0.00 0.00 179.01 179.20 1ow6 h MET 985 N 0.40 -0.05 -1.12 2.33 2.86 -0.29 -2.75 114.93 116.30 1ow6 h MET 985 Ca 0.05 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 58.01 1ow6 h MET 985 Cb 0.76 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.37 1ow6 h MET 985 CO 0.06 0.54 0.79 0.00 1.06 0.00 0.00 176.91 179.37 1ow6 h ALA 986 N 0.17 2.94 -0.09 6.32 0.00 -0.85 1.00 119.26 128.73 1ow6 h ALA 986 Ca -0.01 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1ow6 h ALA 986 Cb 0.62 0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ow6 h ALA 986 CO 0.01 -1.28 -0.53 1.96 0.00 0.00 0.00 179.25 179.42 1ow6 h GLN 987 N 0.07 0.52 -0.32 0.00 4.20 -1.03 -2.60 115.11 115.94 1ow6 h GLN 987 Ca 0.55 -0.44 -0.13 0.00 0.06 0.00 0.00 58.65 58.69 1ow6 h GLN 987 Cb 2.06 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.93 1ow6 h GLN 987 CO -0.06 1.07 -0.32 0.87 -0.67 0.00 0.00 178.83 179.72 1ow6 h LYS 988 N 0.12 0.71 -1.00 1.46 1.57 -0.58 -2.27 116.57 116.57 1ow6 h LYS 988 Ca -0.04 -0.33 0.08 0.00 -1.87 0.00 0.00 60.65 58.49 1ow6 h LYS 988 Cb 1.18 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 1ow6 h LYS 988 CO 0.11 0.93 0.65 1.25 -0.57 0.00 0.00 179.45 181.82 1ow6 h LEU 989 N 0.60 1.02 -1.34 2.94 5.85 -1.13 -1.32 115.31 121.92 1ow6 h LEU 989 Ca 0.07 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 1ow6 h LEU 989 Cb 0.84 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1ow6 h LEU 989 CO 0.07 0.63 -0.29 -0.07 -0.34 0.00 0.00 178.44 178.44 1ow6 h LEU 990 N 1.14 0.00 -0.21 2.25 3.38 -1.01 -1.39 115.31 119.46 1ow6 h LEU 990 Ca 0.45 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.20 1ow6 h LEU 990 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1ow6 h LEU 990 CO -0.19 0.29 -0.76 0.78 0.09 0.00 0.00 178.44 178.65 1ow6 h ASN 991 N 0.00 0.86 -0.32 -0.43 2.35 -1.03 -1.84 115.58 115.17 1ow6 h ASN 991 Ca -0.00 -0.56 -0.08 0.00 -0.55 0.00 0.00 56.30 55.10 1ow6 h ASN 991 Cb 0.64 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.75 1ow6 h ASN 991 CO 0.04 1.35 -0.13 0.77 -1.65 0.00 0.00 177.43 177.81 1ow6 h SER 992 N 0.50 0.67 -0.48 5.81 4.64 -1.27 -1.33 113.55 122.09 1ow6 h SER 992 Ca -0.05 -0.39 0.08 0.00 -0.47 0.00 0.00 61.79 60.96 1ow6 h SER 992 Cb 1.38 -0.18 -0.07 0.00 -0.31 0.00 0.00 62.40 63.22 1ow6 h SER 992 CO 0.15 0.91 0.07 0.44 -0.87 0.00 0.00 176.83 177.53 1ow6 h ASP 993 N 0.42 -0.05 -0.72 4.97 3.32 -1.23 0.30 116.42 123.41 1ow6 h ASP 993 Ca 0.07 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1ow6 h ASP 993 Cb 0.65 0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.31 1ow6 h ASP 993 CO 0.04 0.00 0.36 0.25 -1.72 0.00 0.00 179.24 178.17 1ow6 h LEU 994 N 0.20 0.94 -1.24 1.55 5.85 -1.14 -2.62 115.31 118.85 1ow6 h LEU 994 Ca 0.24 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.91 1ow6 h LEU 994 Cb 0.33 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1ow6 h LEU 994 CO -0.34 0.80 0.55 1.23 -0.34 0.00 0.00 178.44 180.34 1ow6 h GLY 995 N 1.01 1.19 1.84 3.75 0.00 0.64 -0.06 103.07 111.44 1ow6 h GLY 995 Ca 0.25 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 1ow6 h GLY 995 CO -0.03 0.25 -0.46 -2.09 0.00 0.00 0.00 176.54 174.21 1ow6 h GLU 996 N 0.90 0.18 0.00 4.80 4.81 -0.62 -2.23 114.58 122.41 1ow6 h GLU 996 Ca 0.37 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.41 1ow6 h GLU 996 Cb 0.28 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1ow6 h GLU 996 CO -0.14 0.60 -0.50 1.25 -0.73 0.00 0.00 179.01 179.49 1ow6 h LEU 997 N 0.14 0.00 -0.11 1.64 5.85 -0.70 -2.40 115.31 119.73 1ow6 h LEU 997 Ca 0.01 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.50 1ow6 h LEU 997 Cb 0.87 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1ow6 h LEU 997 CO 0.07 0.50 -1.01 0.40 -0.34 0.00 0.00 178.44 178.06 1ow6 h ILE 998 N 0.00 1.47 0.45 4.05 2.04 -0.97 -2.26 117.51 122.29 1ow6 h ILE 998 Ca -0.01 -2.72 -0.01 0.00 1.00 0.00 0.00 64.86 63.12 1ow6 h ILE 998 Cb 1.17 2.61 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 1ow6 h ILE 998 CO 0.07 0.80 -0.35 0.78 0.00 0.00 0.00 178.15 179.44 1ow6 h ASN 999 N 0.14 -0.92 0.21 1.72 2.35 -1.19 -1.49 115.58 116.40 1ow6 h ASN 999 Ca -0.08 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1ow6 h ASN 999 Cb 1.68 0.29 -0.00 0.00 0.05 0.00 0.00 38.32 40.34 1ow6 h ASN 999 CO 0.16 -0.52 -0.08 0.11 -1.65 0.00 0.00 177.43 175.46 1ow6 h LYS 1000N -0.79 0.00 -0.06 0.81 1.79 -1.49 -1.52 116.57 115.30 1ow6 h LYS 1000Ca -0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 1ow6 h LYS 1000Cb 0.68 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.33 1ow6 h LYS 1000CO -0.00 0.08 -0.01 1.98 -1.08 0.00 0.00 179.45 180.41 1ow6 h MET 1001N 0.00 0.11 -0.01 3.15 4.05 -0.77 -2.42 114.93 119.05 1ow6 h MET 1001Ca -0.00 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.29 1ow6 h MET 1001Cb 0.20 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 1ow6 h MET 1001CO 0.01 0.45 -0.38 0.87 0.23 0.00 0.00 176.91 178.09 1ow6 h LYS 1002N -0.23 0.01 -0.21 0.39 1.57 -0.35 -1.29 116.57 116.46 1ow6 h LYS 1002Ca 0.01 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1ow6 h LYS 1002Cb 0.41 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 1ow6 h LYS 1002CO 0.01 0.39 -0.41 -0.07 -0.57 0.00 0.00 179.45 178.80 1ow6 h LEU 1003N 0.01 0.73 -1.71 2.94 3.38 -1.31 -2.22 115.31 117.13 1ow6 h LEU 1003Ca -0.00 -0.55 -0.03 0.00 0.09 0.00 0.00 57.88 57.39 1ow6 h LEU 1003Cb 0.68 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1ow6 h LEU 1003CO 0.05 1.14 -0.14 0.00 0.09 0.00 0.00 178.44 179.57 1ow6 h ALA 1004N 0.61 1.20 0.17 1.53 0.00 -0.88 0.60 119.26 122.49 1ow6 h ALA 1004Ca 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1ow6 h ALA 1004Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ow6 h ALA 1004CO 0.09 0.18 -0.08 1.96 0.00 0.00 0.00 179.25 181.40 1ow6 h GLN 1005N 0.00 -0.22 -0.95 0.00 4.20 -1.11 -3.08 115.11 113.96 1ow6 h GLN 1005Ca -0.00 0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.83 1ow6 h GLN 1005Cb 0.44 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.20 1ow6 h GLN 1005CO 0.02 0.21 0.61 0.37 -0.67 0.00 0.00 178.83 179.37 1ow6 h GLN 1006N -0.83 0.91 -0.98 1.46 4.15 -1.17 -2.82 115.11 115.83 1ow6 h GLN 1006Ca -0.02 -0.05 -0.53 0.00 0.77 0.00 0.00 58.65 58.81 1ow6 h GLN 1006Cb 0.53 -0.20 -0.30 0.00 0.21 0.00 0.00 27.48 27.71 1ow6 h GLN 1006CO 0.04 0.60 0.66 0.66 -1.93 0.00 0.00 178.83 178.86 1ow6 n TYR 1007N -4.57 3.04 -2.26 3.99 4.02 0.18 -4.91 117.16 116.66 1ow6 n TYR 1007Ca 0.17 -2.00 -0.35 0.00 -0.01 0.00 0.00 57.90 55.72 1ow6 n TYR 1007Cb 0.34 -1.00 -0.00 0.00 -0.02 0.00 0.00 39.34 38.66 1ow6 n TYR 1007CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 1ow6 s VAL 1008N -3.50 3.31 -0.98 -0.72 0.11 -1.07 -2.44 120.40 115.11 1ow6 s VAL 1008Ca 0.58 0.79 0.00 0.00 -2.93 0.00 0.00 61.98 60.41 1ow6 s VAL 1008Cb 0.48 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 32.03 1ow6 s VAL 1008CO 0.09 -0.20 0.00 0.23 -3.33 0.00 0.00 175.10 171.89 1ow6 n MET 1009N -1.36 -0.97 -4.34 1.54 2.81 -1.26 -4.99 117.12 108.54 1ow6 n MET 1009Ca 0.11 0.77 -0.17 0.00 -1.81 0.00 0.00 57.70 56.60 1ow6 n MET 1009Cb 0.51 -4.77 -0.10 0.00 -0.71 0.00 0.00 33.22 28.15 1ow6 n MET 1009CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1ow6 s THR 1010N -2.18 1.06 0.43 2.03 -4.23 -1.02 -5.04 115.64 106.69 1ow6 s THR 1010Ca 0.00 -2.04 0.10 0.00 -1.18 0.00 0.00 61.69 58.58 1ow6 s THR 1010Cb 0.00 -2.37 0.22 0.00 1.34 0.00 0.00 72.50 71.69 1ow6 s THR 1010CO 0.00 -0.31 2.02 0.77 -0.54 0.00 0.00 174.62 176.57 1ow6 h SER 1011N 2.45 0.24 0.41 3.99 4.64 -1.95 -2.93 113.55 120.41 1ow6 h SER 1011Ca -0.38 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1ow6 h SER 1011Cb 1.22 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 1ow6 h SER 1011CO 0.65 0.27 0.00 0.18 -0.87 0.00 0.00 176.83 177.06 1ow6 n LEU 1012N -4.41 0.00 -0.12 5.97 4.77 -1.26 -3.50 117.00 118.45 1ow6 n LEU 1012Ca -0.00 0.40 -0.05 0.00 -0.03 0.00 0.00 56.01 56.33 1ow6 n LEU 1012Cb 0.16 -0.40 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1ow6 n LEU 1012CO 0.36 -0.20 0.74 -0.61 -1.33 0.00 0.00 177.39 176.35 1ow6 h GLN 1013N 0.00 -0.08 -0.00 3.23 5.75 -1.46 -0.97 115.11 121.57 1ow6 h GLN 1013Ca 0.00 0.01 -0.16 0.00 -0.15 0.00 0.00 58.65 58.34 1ow6 h GLN 1013Cb 0.20 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 1ow6 h GLN 1013CO 0.00 -0.05 -0.76 1.96 -2.65 0.00 0.00 178.83 177.32 1ow6 h GLN 1014N -0.09 0.01 0.54 1.69 1.08 -1.82 -1.51 115.11 115.01 1ow6 h GLN 1014Ca 0.20 -0.01 -0.03 0.00 -1.45 0.00 0.00 58.65 57.37 1ow6 h GLN 1014Cb 0.39 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.83 1ow6 h GLN 1014CO -0.47 0.77 -0.26 1.49 -0.95 0.00 0.00 178.83 179.41 1ow6 h GLU 1015N 0.00 -0.70 0.00 1.46 4.57 -1.58 -2.45 114.58 115.89 1ow6 h GLU 1015Ca -0.01 0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1ow6 h GLU 1015Cb 1.35 0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 30.10 1ow6 h GLU 1015CO 0.10 -0.40 -0.07 1.88 -1.18 0.00 0.00 179.01 179.35 1ow6 h TYR 1016N -1.05 0.00 -0.39 0.92 0.05 -1.13 -0.50 116.97 114.86 1ow6 h TYR 1016Ca -0.07 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.57 1ow6 h TYR 1016Cb 0.63 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 1ow6 h TYR 1016CO 0.01 0.07 -0.31 0.87 -1.05 0.00 0.00 178.16 177.75 1ow6 h LYS 1017N 0.00 0.87 -0.43 4.88 1.57 -1.20 -1.11 116.57 121.14 1ow6 h LYS 1017Ca -0.00 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.32 1ow6 h LYS 1017Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1ow6 h LYS 1017CO 0.01 1.05 0.06 0.87 -0.57 0.00 0.00 179.45 180.87 1ow6 h LYS 1018N 0.73 0.66 0.00 3.15 1.57 -0.61 -1.62 116.57 120.44 1ow6 h LYS 1018Ca 0.08 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1ow6 h LYS 1018Cb 0.87 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1ow6 h LYS 1018CO 0.08 0.64 -0.27 1.96 -0.57 0.00 0.00 179.45 181.29 1ow6 h GLN 1019N 0.63 0.00 -0.00 3.15 4.20 -0.78 -1.61 115.11 120.70 1ow6 h GLN 1019Ca 0.14 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.85 1ow6 h GLN 1019Cb 0.31 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1ow6 h GLN 1019CO 0.00 0.27 -0.00 0.52 -0.67 0.00 0.00 178.83 178.95 1ow6 h MET 1020N 0.00 0.01 -0.44 1.46 2.86 -0.31 -2.03 114.93 116.49 1ow6 h MET 1020Ca -0.00 -0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.71 1ow6 h MET 1020Cb 0.66 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.25 1ow6 h MET 1020CO 0.03 0.47 0.05 -0.07 1.06 0.00 0.00 176.91 178.46 1ow6 h LEU 1021N -0.45 -0.07 -0.67 1.22 3.38 -0.94 0.20 115.31 117.98 1ow6 h LEU 1021Ca 0.00 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1ow6 h LEU 1021Cb 0.47 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.30 1ow6 h LEU 1021CO 0.00 -0.00 0.36 0.74 0.09 0.00 0.00 178.44 179.63 1ow6 h THR 1022N 0.17 0.95 -0.40 0.22 2.02 -1.21 -0.13 112.91 114.53 1ow6 h THR 1022Ca 0.22 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 67.05 1ow6 h THR 1022Cb 0.29 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.91 1ow6 h THR 1022CO -0.31 0.12 -0.22 0.00 0.37 0.00 0.00 175.52 175.47 1ow6 h ALA 1023N 1.36 0.86 -0.45 6.16 0.00 -0.42 -2.24 119.26 124.52 1ow6 h ALA 1023Ca 0.30 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1ow6 h ALA 1023Cb 0.21 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1ow6 h ALA 1023CO -0.20 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.75 1ow6 h ALA 1024N 1.05 1.26 0.09 0.00 0.00 -0.24 -2.61 119.26 118.81 1ow6 h ALA 1024Ca 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ow6 h ALA 1024Cb 0.74 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1ow6 h ALA 1024CO 0.06 0.51 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 1ow6 h HIS 1025N 0.67 -0.11 -0.91 0.00 6.17 -0.47 -2.16 115.15 118.34 1ow6 h HIS 1025Ca 0.14 -0.00 0.20 0.00 0.71 0.00 0.00 60.37 61.42 1ow6 h HIS 1025Cb 0.34 0.04 -0.11 0.00 2.52 0.00 0.00 27.41 30.19 1ow6 h HIS 1025CO 0.02 0.31 0.45 0.00 0.71 0.00 0.00 177.93 179.42 1ow6 h ALA 1026N 0.26 1.46 0.22 5.26 0.00 -1.36 0.99 119.26 126.09 1ow6 h ALA 1026Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ow6 h ALA 1026Cb 0.47 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1ow6 h ALA 1026CO 0.02 -0.23 -0.20 1.25 0.00 0.00 0.00 179.25 180.09 1ow6 h LEU 1027N 0.52 -0.52 -0.55 0.00 5.85 -1.26 0.35 115.31 119.72 1ow6 h LEU 1027Ca 0.55 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 59.24 1ow6 h LEU 1027Cb 0.95 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.14 1ow6 h LEU 1027CO -0.46 -0.30 0.07 0.00 -0.34 0.00 0.00 178.44 177.41 1ow6 h ALA 1028N 0.29 0.73 -0.45 1.25 0.00 -0.60 0.10 119.26 120.59 1ow6 h ALA 1028Ca -0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 1ow6 h ALA 1028Cb 0.40 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ow6 h ALA 1028CO -0.03 0.49 -0.11 0.28 0.00 0.00 0.00 179.25 179.87 1ow6 h VAL 1029N 0.80 1.27 0.00 0.00 2.07 -0.52 -2.52 116.25 117.36 1ow6 h VAL 1029Ca 0.16 -1.23 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 1ow6 h VAL 1029Cb 0.44 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 1ow6 h VAL 1029CO 0.01 0.42 -0.08 0.44 0.02 0.00 0.00 177.57 178.38 1ow6 h ASP 1030N 0.70 0.00 -0.04 0.57 3.32 0.18 -2.32 116.42 118.83 1ow6 h ASP 1030Ca 0.11 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 1ow6 h ASP 1030Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1ow6 h ASP 1030CO 0.04 0.08 -0.65 0.00 -1.72 0.00 0.00 179.24 176.99 1ow6 h ALA 1031N 1.92 0.52 -0.04 3.45 0.00 -0.60 -1.55 119.26 122.96 1ow6 h ALA 1031Ca -0.00 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 1ow6 h ALA 1031Cb 0.50 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1ow6 h ALA 1031CO 0.01 0.70 -0.59 0.87 0.00 0.00 0.00 179.25 180.24 1ow6 h LYS 1032N 0.48 0.14 -0.25 0.00 1.57 -1.04 -2.55 116.57 114.92 1ow6 h LYS 1032Ca -0.02 -0.10 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1ow6 h LYS 1032Cb 1.24 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1ow6 h LYS 1032CO 0.13 0.69 -0.25 -0.91 -0.57 0.00 0.00 179.45 178.54 1ow6 h ASN 1033N 0.11 0.49 -0.39 0.86 2.35 -1.28 -2.15 115.58 115.56 1ow6 h ASN 1033Ca -0.00 -0.16 -0.08 0.00 -0.55 0.00 0.00 56.30 55.50 1ow6 h ASN 1033Cb 1.07 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1ow6 h ASN 1033CO 0.09 0.73 -0.06 0.25 -1.65 0.00 0.00 177.43 176.79 1ow6 h LEU 1034N 0.43 0.73 -1.25 1.61 5.85 -0.99 -2.06 115.31 119.63 1ow6 h LEU 1034Ca 0.06 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1ow6 h LEU 1034Cb 0.67 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1ow6 h LEU 1034CO 0.05 0.90 0.52 0.25 -0.34 0.00 0.00 178.44 179.82 1ow6 h LEU 1035N 0.54 0.85 -0.43 2.25 5.85 -1.40 -0.45 115.31 122.51 1ow6 h LEU 1035Ca 0.10 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 1ow6 h LEU 1035Cb 0.57 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.39 1ow6 h LEU 1035CO 0.03 0.59 -0.25 0.44 -0.34 0.00 0.00 178.44 178.91 1ow6 h ASP 1036N 0.99 0.97 -0.26 1.25 3.32 -0.92 -0.02 116.42 121.74 1ow6 h ASP 1036Ca 0.31 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 1ow6 h ASP 1036Cb 0.02 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1ow6 h ASP 1036CO -0.09 1.17 0.14 0.58 -1.72 0.00 0.00 179.24 179.33 1ow6 h VAL 1037N 0.77 1.13 -0.94 -1.35 2.07 -0.85 -0.92 116.25 116.15 1ow6 h VAL 1037Ca 0.09 -0.34 0.05 0.00 0.82 0.00 0.00 66.70 67.31 1ow6 h VAL 1037Cb 0.83 0.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 1ow6 h VAL 1037CO 0.07 0.13 0.60 0.40 0.02 0.00 0.00 177.57 178.79 1ow6 h ILE 1038N 0.31 1.12 -0.52 4.57 2.04 -0.89 -1.32 117.51 122.83 1ow6 h ILE 1038Ca 0.09 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.49 1ow6 h ILE 1038Cb 0.08 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.02 1ow6 h ILE 1038CO -0.01 0.21 0.03 0.44 0.00 0.00 0.00 178.15 178.82 1ow6 h ASP 1039N 1.14 0.87 -0.95 1.72 3.32 -0.59 -1.15 116.42 120.77 1ow6 h ASP 1039Ca 0.39 -0.29 0.12 0.00 0.02 0.00 0.00 57.03 57.27 1ow6 h ASP 1039Cb 0.07 -0.23 -0.08 0.00 0.22 0.00 0.00 39.33 39.31 1ow6 h ASP 1039CO -0.14 0.94 0.61 1.56 -1.72 0.00 0.00 179.24 180.49 1ow6 h GLN 1040N 0.76 0.86 -0.06 3.56 1.08 -0.44 -2.30 115.11 118.58 1ow6 h GLN 1040Ca 0.15 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.13 1ow6 h GLN 1040Cb 0.48 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1ow6 h GLN 1040CO 0.02 0.57 -0.69 0.00 -0.95 0.00 0.00 178.83 177.78 1ow6 h ALA 1041N 1.56 0.72 -0.64 3.87 0.00 -0.71 -2.25 119.26 121.81 1ow6 h ALA 1041Ca 0.47 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1ow6 h ALA 1041Cb 0.55 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ow6 h ALA 1041CO -0.23 0.78 0.11 0.00 0.00 0.00 0.00 179.25 179.90 1ow6 h ARG 1042N 0.19 1.05 0.00 0.00 3.08 -0.73 -1.80 114.38 116.17 1ow6 h ARG 1042Ca -0.02 -0.27 -0.16 0.00 0.07 0.00 0.00 59.98 59.60 1ow6 h ARG 1042Cb 1.23 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 1ow6 h ARG 1042CO 0.11 0.96 -0.76 -0.07 -1.07 0.00 0.00 179.97 179.14 1ow6 h LEU 1043N 0.98 0.00 -0.44 3.04 3.38 -1.30 -0.69 115.31 120.29 1ow6 h LEU 1043Ca 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1ow6 h LEU 1043Cb 0.42 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1ow6 h LEU 1043CO 0.01 0.76 0.10 0.50 0.09 0.00 0.00 178.44 179.90 1ow6 h LYS 1044N 0.00 0.71 -0.39 1.13 3.64 -1.23 -2.78 116.57 117.64 1ow6 h LYS 1044Ca -0.01 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1ow6 h LYS 1044Cb 1.47 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 1ow6 h LYS 1044CO 0.10 0.72 0.19 1.98 -2.27 0.00 0.00 179.45 180.16 1ow6 h MET 1045N 0.58 0.37 0.00 1.90 4.05 -1.18 -1.96 114.93 118.69 1ow6 h MET 1045Ca 0.14 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1ow6 h MET 1045Cb 0.33 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1ow6 h MET 1045CO 0.00 0.25 0.00 1.28 0.23 0.00 0.00 176.91 178.67 1ow6 n LEU 1046N -4.94 0.00 0.00 3.39 4.77 -0.28 -5.08 117.00 114.87 1ow6 n LEU 1046Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1ow6 n LEU 1046Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1ow6 n LEU 1046CO 0.30 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.97